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    BibTeX-Key Author / Editor / Organization Title Year Journal / Proceedings / Book BibTeX type Keywords
    AdaHarOwe1979 Adam, C.D.; Owen, J. & Harker, A.H. Ligand polarisation and transferred hyperfine interactions 1979 Journal of Physics C: Solid State Physics
    Vol. 12 (6) , pp. L239  
    article
    Abstract: Recent ENDOR measurements of transferred hyperfine interactions in
    the linear structure M 3+ -F - -Cd 2+ , where M 3+ =Fe 3+ or Cr 3+
    and the host lattice is CsCdF 3 , have given anomalous results when
    interpreted by standard ligand hyperfine structure theory. The data
    have therefore been reinterpreted allowing for polarisation of the
    F - ligand by the electric field from its neighbours. This is found
    to improve agreement between theory and experiment, especially if
    the fluoride ion is allowed to relax towards the M 3+ ion, but some
    difficulties still remain.
    BibTeX:
    @article{AdaHarOwe1979,
      author = {Adam, C D and Owen, J and Harker, A H},
      title = {Ligand polarisation and transferred hyperfine interactions},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1979},
      volume = {12},
      number = {6},
      pages = {L239},
      url = {http://stacks.iop.org/0022-3719/12/i=6/a=006}
    }
    					
    BroGalHarStoVin2011 Brookes, J.C.; Galigniana, M.D.; Harker, A.H.; Stoneham, A.M. & Vinson, G.P. System among the corticosteroids: specificity and molecular dynamics 2012 Journal of The Royal Society Interface
    Vol. 9 , pp. 43-53  
    article
    Abstract: Understanding how structural features determine specific biological
    activities has often proved elusive. With over 161 000 steroid structures
    described, an algorithm able to predict activity from structural
    attributes would provide manifest benefits. Molecular simulations
    of a range of 35 corticosteroids show striking correlations between
    conformational mobility and biological specificity. Thus steroid
    ring A is important for glucocorticoid action, and is rigid in the
    most specific (and potent) examples, such as dexamethasone. By contrast,
    ring C conformation is important for the mineralocorticoids, and
    is rigid in aldosterone. Other steroids that are less specific, or
    have mixed functions, or none at all, are more flexible. One unexpected
    example is 11-deoxycorticosterone, which the methods predict (and
    our activity studies confirm) is not only a specific mineralocorticoid,
    but also has significant glucocorticoid activity. These methods may
    guide the design of new corticosteroid agonists and antagonists.
    They will also have application in other examples of ligand–receptor
    interactions.
    BibTeX:
    @article{BroGalHarStoVin2011,
      author = {Brookes, Jennifer C and Galigniana, Mario D and Harker, Anthony H and Stoneham, A Marshall and Vinson, Gavin P},
      title = {System among the corticosteroids: specificity and molecular dynamics},
      journal = {Journal of The Royal Society Interface},
      year = {2012},
      volume = {9},
      pages = {43-53},
      url = {http://rsif.royalsocietypublishing.org/content/early/2011/05/20/rsif.2011.0183.abstract},
      doi = {https://doi.org/10.1098/rsif.2011.0183}
    }
    					
    CatHarHay1975 Catlow, C.R.A.; Harker, A.H. & Hayns, M.R. Ab-initio studies of non-bonded hydrocarbon potentials 1975 Journal of the Chemical Society-Faraday Transactions II
    Vol. 71 (2) , pp. 275-285  
    article
    Abstract: Results are reported of ab initio molecular orbital calculations of
    the energies of interaction of hydrogen and methane molecules. The
    aim in the former case is to provide a detailed analysis of the short
    range repulsive potential for this interaction, an interaction which
    is also relevant to the general field of hydrocarbon potentials,
    while the second set of calculations are intended to provide guidance
    as to models and parameters for saturated hydrocarbons. The results
    suggest that the repulsive interactions between bonds containing
    hydrogen may be adequately described by an isotropic interaction
    between centres located along the internuclear axis of the bond;
    and that the use of a larger number of parameters in atom?atom models
    may be unnecessary.
    BibTeX:
    @article{CatHarHay1975,
      author = {Catlow, C R A and Harker, A H and Hayns, M R},
      title = {Ab-initio studies of non-bonded hydrocarbon potentials},
      journal = {Journal of the Chemical Society-Faraday Transactions II},
      year = {1975},
      volume = {71},
      number = {2},
      pages = {275-285}
    }
    					
    ChoHarSto2004 Choy, T.C.; Harker, A.H. & Stoneham, A.M. Field emission theory for an enhanced surface potential: a model for carbon field emitters 2004 Journal of Physics: Condensed Matter
    Vol. 16 (6) , pp. 861-880  
    article
    BibTeX:
    @article{ChoHarSto2004,
      author = {Choy, T C and Harker, A H and Stoneham, A M},
      title = {Field emission theory for an enhanced surface potential: a model for carbon field emitters},
      journal = {Journal of Physics: Condensed Matter},
      year = {2004},
      volume = {16},
      number = {6},
      pages = {861-880},
      note = {AHH}
    }
    					
    ChoStoHar2005 Choy, T.C.; Harker, A.H. & Stoneham, A.M. Dynamical resonance tunnelling - a theory of giant emission from carbon field emitters 2005 Journal of Physics: Condensed Matter
    Vol. 17 (10) , pp. 1505-1528  
    article
    BibTeX:
    @article{ChoStoHar2005,
      author = {Choy, T C and Harker, A H and Stoneham, A M},
      title = {Dynamical resonance tunnelling -- a theory of giant emission from carbon field emitters},
      journal = {Journal of Physics: Condensed Matter},
      year = {2005},
      volume = {17},
      number = {10},
      pages = {1505-1528},
      note = {AHH}
    }
    					
    EltStrEdiHar2016 Eltayeb, M.; Stride, E.; Edirisinghe, M. & Harker, A. Electrosprayed nanoparticle delivery system for controlled release 2016 Materials Science and Engineering: C
    Vol. 66 , pp. 138 -146  
    article electrohydrodynamic processing, controlled release, lipid nanoparticles
    Abstract: This study utilises an electrohydrodynamic technique to prepare core-shell
    lipid nanoparticles with a tunable size and high active ingredient
    loading capacity, encapsulation efficiency and controlled release.
    Using stearic acid and ethylvanillin as model shell and active ingredients
    respectively, we identify the processing conditions and ratios of
    lipid:ethylvanillin required to form nanoparticles. Nanoparticles
    with a mean size ranging from 60 to 70 nm at the rate of 1.37×
    10^9 nanoparticles per minute were prepared with different lipid:ethylvanillin
    ratios. The polydispersity index was ≈ 21% and the encapsulation
    efficiency ≈ 70%. It was found that the rate of ethylvanillin
    release was a function of the nanoparticle size, and lipid:ethylvanillin
    ratio. The internal structure of the lipid nanoparticles was studied
    by transmission electron microscopy which confirmed that the ethylvanillin
    was encapsulated within a stearic acid shell. Fourier transform infrared
    spectroscopy analysis indicated that the ethylvanillin had not been
    affected. Extensive analysis of the release of ethylvanillin was
    performed using several existing models and a new diffusive release
    model incorporating a tanh function. The results were consistent
    with a core-shell structure.
    BibTeX:
    @article{EltStrEdiHar2016,
      author = {Eltayeb, Megdi and Stride, Eleanor and Edirisinghe, Mohan and Harker, Anthony},
      title = {Electrosprayed nanoparticle delivery system for controlled release },
      journal = {Materials Science and Engineering: C },
      year = {2016},
      volume = {66},
      pages = {138 -146},
      url = {http://www.sciencedirect.com/science/article/pii/S0928493116302995},
      doi = {https://doi.org/10.1016/j.msec.2016.04.001}
    }
    					
    FisHarHarSto1991 Fisher, A.J.; Harding, J.H.; Harker, A.H. & Stoneham, A.M. Grimes, R.W.; Catlow, C.R.A. & Shluger, A.L. (Hrsg.) Embedded Cluster Calculations of Defect Processes 1991 Reviews of Solid State Science
    Vol. 5 Quantum Mechanical Cluster Calculations in Solid State Studies , pp. 133-147  
    article
    BibTeX:
    @article{FisHarHarSto1991,
      author = {Fisher, A J and Harding, J H and Harker, A H and Stoneham, A M},
      title = {Embedded Cluster Calculations of Defect Processes},
      booktitle = {Quantum Mechanical Cluster Calculations in Solid State Studies},
      journal = {Reviews of Solid State Science},
      year = {1991},
      volume = {5},
      pages = {133-147},
      note = {ICECAP}
    }
    					
    Har1973a Harker, A.H. The F centre in magnesium fluoride 1973 Journal of Physics C: Solid State Physics
    Vol. 6 (20) , pp. 2993  
    article
    Abstract: Point-ion calculations with ion-size corrections of the electronic
    structure of the F centre in rm MgF_2 predict a transition energy
    close to the experimental value of 4.8 eV. The hyperfine interactions
    with the first six shells of fluoride ions are well represented by
    the variational wavefunction orthogonalized to orthonormal core orbitals.
    BibTeX:
    @article{Har1973a,
      author = {Harker, A H},
      title = {The F centre in magnesium fluoride},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1973},
      volume = {6},
      number = {20},
      pages = {2993},
      url = {http://stacks.iop.org/0022-3719/6/i=20/a=013}
    }
    					
    Har1973b Harker, A.H. The F centre in potassium magnesium fluoride 1973 Journal of Physics C: Solid State Physics
    Vol. 6 (23) , pp. 3349  
    article
    Abstract: Calculations of the electronic structure of the F centre in rm KMgF_3
    are reported and their results compared with experiment. The hyperfine
    interaction of the ground state with the nearest rm F^- ion is
    predicted to be 70 G, in good agreement with the experimental result
    of 60 G. The energy for optical absorption to the E u excited state
    is given by a point-ion calculation as 4.4 eV, compared with the
    observed 4.6 eV. The predicted spin-orbit splitting of the excited
    state is 57rm cm^-1 , close to the experimental value of 60rm
    cm^-1 .
    BibTeX:
    @article{Har1973b,
      author = {Harker, A H},
      title = {The F centre in potassium magnesium fluoride},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1973},
      volume = {6},
      number = {23},
      pages = {3349},
      url = {http://stacks.iop.org/0022-3719/6/i=23/a=009}
    }
    					
    Har1974 Harker, A.H. Orthogonalization procedures in the theory of colour centre hyperfine interactions 1974 Journal of Physics C: Solid State Physics
    Vol. 7 (18) , pp. 3224  
    article
    Abstract: In many colour centre calculations, a true wavefunction must be obtained
    from an envelope function or pseudo-wavefunction. The author compares
    four levels of approximation for such calculations. The true wavefunctions
    are used to calculate contact hyperfine interactions of model centres
    in LiCl, KCl, RbF, as well as the F + centre in BeO and neutral interstitial
    hydrogen in CaF 2 . It is shown that commonly used approximations
    can be very inaccurate, and in particular that inclusion only of
    first-order terms in the overlap between core orbitals can yield
    erroneous results. Selected tables of core overlaps are included
    in the text. An exact core orthogonalization procedure not only corrects
    a tendency to point-ion pseudo-wavefunctions for F centres to overestimate
    spin densities on the nearest neighbours, but also seem relatively
    insensitive to the choice of core wavefunctions.
    BibTeX:
    @article{Har1974,
      author = {Harker, A H},
      title = {Orthogonalization procedures in the theory of colour centre hyperfine interactions},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1974},
      volume = {7},
      number = {18},
      pages = {3224},
      url = {http://stacks.iop.org/0022-3719/7/i=18/a=008}
    }
    					
    Har1976 Harker, A.H. Molecular Orbital Methods in Materials Science 1976 Nuclear Metallurgy
    Vol. 20 , pp. 1254  
    article
    BibTeX:
    @article{Har1976,
      author = {Harker, A H},
      title = {Molecular Orbital Methods in Materials Science},
      journal = {Nuclear Metallurgy},
      year = {1976},
      volume = {20},
      pages = {1254}
    }
    					
    Har1976a Harker, A.H. Theoretical calculations of magnetic and optical properties of alkali halide F centres 1976 Journal of Physics C: Solid State Physics
    Vol. 9 (12) , pp. 2273  
    article
    Abstract: F-centre wavefunctions, calculated in the point-ion and ion-size approximations,
    and Lowdin-orthogonalized free-ion wavefunctions are used to derive
    hyperfine interactions of the ground state and orbital g-factors
    and spin-orbit coupling constants of the first excited state, for
    all 20 alkali halides. The ion-size correction leads to improved
    values of the transition energies (mean deviation from experiment
    <10%) and spin-orbit constants (15%), but some of the hyperfine constants
    are in error by factors of up to 2.
    BibTeX:
    @article{Har1976a,
      author = {Harker, A H},
      title = {Theoretical calculations of magnetic and optical properties of alkali halide F centres},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1976},
      volume = {9},
      number = {12},
      pages = {2273},
      url = {http://stacks.iop.org/0022-3719/9/i=12/a=010}
    }
    					
    Har1976b Harker, A.H. rm F^+ centres in wurtzite lattices. I. The effects of host lattice covalence 1976 Journal of Physics C: Solid State Physics
    Vol. 9 (17) , pp. 3141  
    article
    Abstract: Principles of calculating the electronic structure of the F + centre
    in partially covalent solids are discussed. A bond-orbital model
    of the perfect lattice is described, and the effects of this covalence
    on the F + centre energy levels and hyperfine interactions are investigated.
    The effective-charge method of treating covalent crystals is critically
    examined, and rejected in favour of an ionic ion-size model for variational
    calculations. The covalence is less important in calculating wavefunctions
    than in using the wavefunctions to derive hyperfine interactions.
    Lattice distortions give only small changes in transition energies,
    but are extremely important in determining the hyperfine interactions.
    BibTeX:
    @article{Har1976b,
      author = {Harker, A H},
      title = {rm F^+ centres in wurtzite lattices. I. The effects of host lattice covalence},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1976},
      volume = {9},
      number = {17},
      pages = {3141},
      url = {http://stacks.iop.org/0022-3719/9/i=17/a=009}
    }
    					
    Har1976c Harker, A.H. Effect of Choice of Basis Set in Molecular Pseudopotential Calculations 1976 Molecular Physics
    Vol. 32 (2) , pp. 583-586  
    article
    BibTeX:
    @article{Har1976c,
      author = {Harker, A H},
      title = {Effect of Choice of Basis Set in Molecular Pseudopotential Calculations},
      journal = {Molecular Physics},
      year = {1976},
      volume = {32},
      number = {2},
      pages = {583-586}
    }
    					
    Har1978 Harker, A.H. rm F^+ centres in wurtzite lattices. II. Zinc oxide, zinc sulphide and beryllium oxide 1978 Journal of Physics C: Solid State Physics
    Vol. 11 (6) , pp. 1059  
    article
    Abstract: For pt.I see ibid., vol.9, p.3141 (1976). Two different pseudopotential
    methods are used, one approximate and one retaining all two-centre
    integrals, to study F-centres. The more detailed method is tested
    on the F-centre in cubic NaCl, where it gives isotropic hyperfine
    constants for the first two shells of ions which are within 20% of
    the experimental values. In the wurtzite crystals, the calculated
    transition energies are significantly larger than those measured.
    The hyperfine constants are sufficiently close for the discrepancy
    between theory and experiment to be attributed to lattice distortions,
    but the observed difference between the values for axial and basal
    nearest neighbours is not predicted. A detailed treatment of lattice
    distortion is probably essential for both this difference among the
    hyperfine constants and for an accurate estimate of the transition
    energies.
    BibTeX:
    @article{Har1978,
      author = {Harker, A H},
      title = {rm F^+ centres in wurtzite lattices. II. Zinc oxide, zinc sulphide and beryllium oxide},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1978},
      volume = {11},
      number = {6},
      pages = {1059},
      url = {http://stacks.iop.org/0022-3719/11/i=6/a=013}
    }
    					
    Har1985 Harker, A.H. Numerical modelling of the Scattering of Elastic Waves in Plates 1985 Journal of Nondestructive Evaluation
    Vol. 4 , pp. 89-106  
    article
    Abstract: This paper describes the application of finite difference methods
    to the calculation of the scattering of elastic waves. The emphasis
    is on cracklike defects in plates, and it is shown that a common
    numerical technique can span a range of wavelengths from Lamb waves
    to ultrasonic waves with many reflections from the surfaces of the
    plate. Quantitative results are given for the scattering of Lamb
    waves and ultrasonic shear waves from surface-breaking cracks.
    BibTeX:
    @article{Har1985,
      author = {Harker, A H},
      title = {Numerical modelling of the Scattering of Elastic Waves in Plates},
      journal = {Journal of Nondestructive Evaluation},
      year = {1985},
      volume = {4},
      pages = {89-106}
    }
    					
    HarHarKeePanVaiWoo1985 Harding, J.H.; Harker, A.H.; Keegstra, P.B.; Pandey, R.; Vail, J.M. & Woodward, C. Hartree-Fock Cluster Computations Of Defect And Perfect Ionic Crystal Properties 1985 Physica B & C
    Vol. 131 (1-3) , pp. 151-156  
    article
    BibTeX:
    @article{HarHarKeePanVaiWoo1985,
      author = {Harding, J H and Harker, A H and Keegstra, P B and Pandey, R and Vail, J M and Woodward, C},
      title = {Hartree-Fock Cluster Computations Of Defect And Perfect Ionic Crystal Properties},
      journal = {Physica B & C},
      year = {1985},
      volume = {131},
      number = {1-3},
      pages = {151-156},
      note = {ICECAP}
    }
    					
    HarLar1979a Harker, A.H. & Larkins, F.P. Large Unit-Cell Semi-Empirical Molecular-Orbital Approach to the Properties of Solids .1. General Theory 1979 Journal of Physics C: Solid State Physics
    Vol. 12 (13) , pp. 2487-2495  
    article
    Abstract: Two semiempirical crystal orbital schemes are outlined for the calculation
    of the properties of perfect and defective solids. Both use periodic
    boundary conditions with a large unit cell (LUC) to map special points
    of the Brillouin zone onto the point k=0. One method involves the
    complete neglect of differential overlap (LUC-CNDO), the other uses
    intermediate neglect of differential overlap (LUC-INDO). The determination
    of parameter sets for the elements is discussed.
    BibTeX:
    @article{HarLar1979a,
      author = {Harker, A H and Larkins, F P},
      title = {Large Unit-Cell Semi-Empirical Molecular-Orbital Approach to the Properties of Solids .1. General Theory},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1979},
      volume = {12},
      number = {13},
      pages = {2487-2495}
    }
    					
    HarLar1979b Harker, A.H. & Larkins, F.P. Large Unit-Cell Semi-Empirical Molecular-Orbital Approach to the Properties of Solids .2. Covalent Materials - Diamond and Silicon 1979 Journal of Physics C: Solid State Physics
    Vol. 12 (13) , pp. 2497-2508  
    article
    Abstract: For pt.I see ibid., vol.12, p.2487 (1979). Some properties of diamond
    and silicon crystals have been calculated using a large unit cell-complete
    neglect of differential overlap (LUC-CNDO) crystal orbital approach.
    The dependence of the predictions on the parameter set chosen, on
    the size and shape of the large unit cell and on the cut-off distance
    for atomic interactions has been investigated. The results obtained
    for the perfect solid with a near-optimum parameter set are, in general,
    in good agreement with experimental values.
    BibTeX:
    @article{HarLar1979b,
      author = {Harker, A H and Larkins, F P},
      title = {Large Unit-Cell Semi-Empirical Molecular-Orbital Approach to the Properties of Solids .2. Covalent Materials - Diamond and Silicon},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1979},
      volume = {12},
      number = {13},
      pages = {2497-2508}
    }
    					
    HarLar1979c Harker, A.H. & Larkins, F.P. Large Unit-Cell Semi-Empirical Molecular-Orbital Approach to the Properties of Solids .3. Ionic-Crystals - Lithium Fluoride and Potassium Chloride 1979 Journal of Physics C: Solid State Physics
    Vol. 12 (13) , pp. 2509-2517  
    article
    Abstract: For pt.II see ibid., vol.12, p.2497 (1979). A large unit cell-complete
    neglect of differential overlap (LUC-CNDO) method has been used to
    predict some properties of lithium fluoride and potassium chloride
    crystals. A 16 atom cell and a parameter set chosen to match the
    properties of the relevant diatomic molecules form a basis for the
    calculation. The results are compared with predictions from a 27
    atom cluster model, with previous band-structure calculations and
    with experiment. It is concluded that the approach has great potential
    for the study of ionic solids with and without defects.
    BibTeX:
    @article{HarLar1979c,
      author = {Harker, A H and Larkins, F P},
      title = {Large Unit-Cell Semi-Empirical Molecular-Orbital Approach to the Properties of Solids .3. Ionic-Crystals - Lithium Fluoride and Potassium Chloride},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1979},
      volume = {12},
      number = {13},
      pages = {2509-2517}
    }
    					
    HarLyoWas1977 Harker, A.H.; Lyon, S.B. & Wasiela, A. Electronic structure of the self-trapped exciton in the potassium halides 1977 Solid State Communications
    Vol. 21 (11) , pp. 1053 - 1055  
    article
    Abstract: We present pseudopotential calculations of the energy levels and wave-functions
    of the electron associated with the self-trapped exciton in KCl,
    KBr and KI. Accurate values are obtained for the separation of the
    singlet and triplet luminescent bands, for the electronic transitions,
    and for the spin resonance linewidths. Lattice distortion is shown
    to be particularly important in KCl. Additional low-energy electronic
    transitions, at 0.7 eV in KCl and 0.94 eV in KBr, are predicted,
    but have not been seen experimentally.
    BibTeX:
    @article{HarLyoWas1977,
      author = {Harker, A H and Lyon, S B and Wasiela, A},
      title = {Electronic structure of the self-trapped exciton in the potassium halides},
      journal = {Solid State Communications},
      year = {1977},
      volume = {21},
      number = {11},
      pages = {1053 - 1055},
      url = {http://www.sciencedirect.com/science/article/pii/0038109877900175},
      doi = {https://doi.org/10.1016/0038-1098(77)90017-5}
    }
    					
    HarOgi1991 Harker, A.H. & Ogilvy, J.A. Coherent Wave Propagation in Inhomogeneous Materials - a Comparison of Theoretical Models 1991 Ultrasonics
    Vol. 29 (3) , pp. 235-244  
    article
    Abstract: The frequency dependent behaviour of coherent wave propagation in
    inhomogeneous materials is studied using several theoretical models.
    The predictions of a ray tracing model are compared with those of
    a two-dimensional finite difference model, for both isotropic and
    anisotropic inhomogeneous materials. The effects of frequency are
    studied and it is shown how the ray tracing model may be modified
    to incorporate the low frequency regime, in addition to the usual
    high frequency regime for which ray tracing approximations are valid.
    A further comparison is made between the ray tracing solution and
    an analytical solution, for electromagnetic plane waves propagating
    in a material with a one-dimensionally varying dielectric constant.
    The amplitude of the reflected wave is calculated, with good agreement
    between the two models over a wide range of frequencies, including
    low frequencies.
    BibTeX:
    @article{HarOgi1991,
      author = {Harker, A H And Ogilvy, J A},
      title = {Coherent Wave Propagation in Inhomogeneous Materials - a Comparison of Theoretical Models},
      journal = {Ultrasonics},
      year = {1991},
      volume = {29},
      number = {3},
      pages = {235-244}
    }
    					
    HarOgiTem1990 Harker, A.H.; Ogilvy, J.A. & Temple, J.A.G. Modelling ultrasonic inspection of austenitic welds 1990 Journal of Nondestructive Evaluation
    Vol. 9 (2/3) , pp. 155  
    article
    Abstract: The strength of austenitic welds will be considerably reduced if cracks
    are present. To guard against this possibility good workmanship is
    essential; quality is monitored by inspecting the welds after manufacture.
    Ultrasound is the favored method of inspection but there are difficulties
    associated with this in the coarse-grained columnar weld structures
    often associated with austenitic materials. We present two different
    approaches to modeling such inspections: ray tracing and full numerical
    solution of the governing wave equation. We show that the two approaches,
    although very different in physical nature and numerical method,
    give similar and consistent results.
    BibTeX:
    @article{HarOgiTem1990,
      author = {Harker, A H and Ogilvy, J A and Temple, J A G},
      title = {Modelling ultrasonic inspection of austenitic welds},
      journal = {Journal of Nondestructive Evaluation},
      year = {1990},
      volume = {9},
      number = {2/3},
      pages = {155}
    }
    					
    HarSchStiTayTem1991 Harker, A.H.; Schofield, P.; Stimpson, B.P.; Taylor, R.G. & Temple, J.A.G. Ultrasonic Propagation in Slurries 1991 Ultrasonics
    Vol. 29 (6) , pp. 427-438  
    article
    Abstract: Experimental measurements have been made of the ultrasonic velocity
    and attenuation in some simple suspensions of, mainly, silicon carbide
    in water and in ethylene glycol. These are compared with theoretical
    predictions based on a novel hydrodynamic model. Predicted ultrasonic
    velocities are in excellent agreement with the measured values. Predicted
    and measured ultrasonic attenuations do not agree as well. However,
    the suspensions give rise to excess attenuations rising to a few
    hundred nepers per metre and special experimental techniques were
    needed to measure ultrasonic properties. To predict attenuations
    to within, say, 20% for mixtures such as these is a major achievement,
    BibTeX:
    @article{HarSchStiTayTem1991,
      author = {Harker, A H and Schofield, P and Stimpson, B P and Taylor, R G and Temple, J A G},
      title = {Ultrasonic Propagation in Slurries},
      journal = {Ultrasonics},
      year = {1991},
      volume = {29},
      number = {6},
      pages = {427-438}
    }
    					
    HarTem1988 Harker, A.H. & Temple, J.A.G. Velocity and Attenuation of Ultrasound in Suspensions of Particles in Fluids 1988 Journal of Physics D-Applied Physics
    Vol. 21 (11) , pp. 1576-1588  
    article
    Abstract: The theory of the scattering of compression waves in viscous fluids
    is examined. The effects of fluid viscosity, of differences in density
    and in elastic modulus between the particles and the fluid, of heat
    transfer and of concentration are considered. Ultrasonic phase velocity
    and attenuation are derived. Results for the phase velocity are compared
    with several other formulations. The feasibility of using ultrasound
    to characterise suspensions is discussed.
    BibTeX:
    @article{HarTem1988,
      author = {Harker, A H And Temple, J A G},
      title = {Velocity and Attenuation of Ultrasound in Suspensions of Particles in Fluids},
      journal = {Journal of Physics D-Applied Physics},
      year = {1988},
      volume = {21},
      number = {11},
      pages = {1576-1588}
    }
    					
    HarVai1981 Harker, A.H. & Vail, J.M. Theoretical Analysis of Some Ground State and Optical Properties of Impurity F Centers 1981 physica status solidi (b)
    Vol. 108 (1) , pp. 87-96  
    article
    BibTeX:
    @article{HarVai1981,
      author = {Harker, A H and Vail, J M},
      title = {Theoretical Analysis of Some Ground State and Optical Properties of Impurity F Centers},
      journal = {physica status solidi (b)},
      year = {1981},
      volume = {108},
      number = {1},
      pages = {87-96}
    }
    					
    HedSpaHar1980 Heder, G.; Spaeth, J.M. & Harker, A.H. Electronic structure of atomic hydrogen at anion sites in KCl 1980 Journal of Physics C: Solid State Physics
    Vol. 13 (26) , pp. 4965  
    article
    Abstract: Theoretical calculations are presented of the hyperfine and superhyperfine
    interactions of H s,a 0 centres (atomic hydrogen at anion site) in
    KCl in various models. Ligand polarisation by unscreened charges
    proves very important for the interpretation of the experimental
    data. The experimental hyperfine and superhyperfine interactions
    can be explained satisfactorily by a configuration mixing of the
    states H 0 -Cl - -K + , H - -Cl 0 -K + and H - -Cl - -K 2+ , in which
    ligand polarisation effects, localised vibrations of hydrogen and
    the displacements of nearest neighbours due to the charge of the
    anion vacancy are taken into account. The results illustrate what
    may be a general phenomenon: modest charge transfers from weak covalency
    can have their main effect by polarising neighbouring ions.
    BibTeX:
    @article{HedSpaHar1980,
      author = {Heder, G and Spaeth, J M and Harker, A H},
      title = {Electronic structure of atomic hydrogen at anion sites in KCl},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1980},
      volume = {13},
      number = {26},
      pages = {4965},
      url = {http://stacks.iop.org/0022-3719/13/i=26/a=017}
    }
    					
    HeuMitWuFisKerStoHarGarTseJonRenAep2007 Heutz, S.; Mitra, C.; Wu, W.; Fisher, A.J.; Kerridge, A.; Stoneham, M.; Harker, T.H.; Gardener, J.; Tseng, H.-H.; Jones, T.S.; Renner, C. & Aeppli, G. Molecular Thin Films: A New Type of Magnetic Switch 2007 Advanced Materials
    Vol. 19 , pp. 3618-3622  
    article
    Abstract: The design and fabrication of materials that exhibit both semiconducting
    and magnetic properties for spintronics and quantum computing has
    proven difficult. Important starting points are high-purity thin
    films as well as fundamental theoretical understanding of the magnetism.
    Here, we show that small molecules have great potential in this area
    because of ease of insertion of localized spins in organic frameworks
    and both chemical and structural purity. In particular, we demonstrate
    that archetypal molecular semiconductors, namely the metal phthalocyanines
    (Pc), can be readily fabricated as thin film quantum antiferromagnets,
    important precursors to a solid state quantum computer. Their magnetic
    state can be switched via fabrication steps that modify the film
    structure, offering practical routes into information processing.
    Theoretical calculations show that a new mechanism, which is the
    molecular analogue of the interactions between magnetic ions in metals,
    is responsible for the magnetic states. Our combination of theory
    and experiments opens the field of organic thin film magnetic engineering.
    BibTeX:
    @article{HeuMitWuFisKerStoHarGarTseJonRenAep2007,
      author = {Heutz, Sandrine and Mitra, Chiranjib and Wu, Wei and Fisher, Andrew J and Kerridge, Andrew and Stoneham, Marshall and Harker, Tony H and Gardener, Julie and Tseng, Hsiang-Han and Jones, Tim S and Renner, Christoph and Aeppli, Gabriel},
      title = {Molecular Thin Films: A New Type of Magnetic Switch},
      journal = {Advanced Materials},
      year = {2007},
      volume = {19},
      pages = {3618-3622}
    }
    					
    HinStoHar1981 Hintermann, A.; Stoneham, A.M. & Harker, A.H. Cluster Calculations of Hyperfine Fields and Knight Shifts for Muons in Li and Be 1981 Hyperfine Interactions
    Vol. 8 (4-6) , pp. 475-478  
    article
    BibTeX:
    @article{HinStoHar1981,
      author = {Hintermann, A and Stoneham, A M and Harker, A H},
      title = {Cluster Calculations of Hyperfine Fields and Knight Shifts for Muons in Li and Be},
      journal = {Hyperfine Interactions},
      year = {1981},
      volume = {8},
      number = {4-6},
      pages = {475-478}
    }
    					
    HinStoHar1983 Hintermann, A.; Stoneham, A.M. & Harker, A.H. Spin Polarized Hartree-Fock Calculations for Small Li and Be Clusters with and without a Hydrogen Impurity 1983 Hyperfine Interactions
    Vol. 15 (1-4) , pp. 537  
    article
    BibTeX:
    @article{HinStoHar1983,
      author = {Hintermann, A and Stoneham, A M and Harker, A H},
      title = {Spin Polarized Hartree-Fock Calculations for Small Li and Be Clusters with and without a Hydrogen Impurity},
      journal = {Hyperfine Interactions},
      year = {1983},
      volume = {15},
      number = {1-4},
      pages = {537}
    }
    					
    HonHarEdi2018 Hong, X.; Harker, A. & Edirisinghe, M. Process Modeling for the Fiber Diameter of Polymer, Spun by Pressure-Coupled Infusion Gyration 2018 ACS Omega
    Vol. 3 (5) , pp. 5470-5479  
    article
    Abstract: Several new spinning methods have been developed recently to mass produce polymeric fibers. Pressure-coupled infusion gyration is one of them. Because the fiber diameter plays a pivotal role for the mechanical, electrical, and optical properties of the produced fiber mats, in this work, polyethylene oxide is used as a model polymer, and the processing parameters including polymer concentration, infusion (flow) rate, working pressure, and rotational speed are chosen as variables to control fiber diameters spanning the micro- to nanoscale. The experimental process is modeled using response surface methodology, both in linear and nonlinear fitting formats, to allow optimization of processing parameters. The successes of the fitted models are evaluated using adjusted R2 and Akaike information criterion. A systematic description of the experimental process could be obtained according to the model in this study. From the analysis of variance, it is concluded that the polymer concentration of the solution and the working pressure affected the fiber diameters more strongly than other parameters.
    BibTeX:
    @article{HonHarEdi2018,
      author = {Hong, Xianze and Harker, Anthony and Edirisinghe, Mohan},
      title = {Process Modeling for the Fiber Diameter of Polymer, Spun by Pressure-Coupled Infusion Gyration},
      journal = {ACS Omega},
      year = {2018},
      volume = {3},
      number = {5},
      pages = {5470-5479},
      url = {
    
    https://doi.org/10.1021/acsomega.8b00452

    }, doi = {https://doi.org/10.1021/acsomega.8b00452} }
    HonHarEdi2019 Hong, X.; Harker, A. & Edirisinghe, M. Empirical modelling and optimization of pressure-coupled infusion gyration parameters for the nanofibre fabrication 2019 Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
    Vol. 475 (2225) , pp. 20190008  
    article
    Abstract: Pressure-coupled infusion gyration (PCIG) is a novel promising technique for economical and effective mass production of nanofibres with desirable geometrical characteristics. The average diameter of spun fibres significantly influences the structural, mechanical and physical properties of the produced fibre mats. Having a comprehensive understanding of the significant effects of PCIG experimental variables on the spun fibres is beneficial. In this work, response surface methodology was used to explore the interaction effects and the optimal PCIG experimental variables for achieving the desired morphological characteristics of fibres. The effect of experimental variables, namely solution concentration, infusion (flow) rate, applied pressure and rotational speed, was studied on the average fibre diameter and standard deviations. A numerical model for the interactional influences of experimental variables was developed and optimized with a nonlinear interior point method that can be used as a framework for selecting the optimal conditions to obtain poly-ethylene oxide fibres with desired morphology (targeted average diameter and narrow standard deviation). The adequacy of the models was verified by a set of validation experiments. The results proved that the predicted optimal conditions were able to achieve the average diameter that matched the pre-set desired value with less than 10% of difference.
    BibTeX:
    @article{HonHarEdi2019,
      author = {Xianze Hong and Anthony Harker and Mohan Edirisinghe},
      title = {Empirical modelling and optimization of pressure-coupled infusion gyration parameters for the nanofibre fabrication},
      journal = {Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences},
      year = {2019},
      volume = {475},
      number = {2225},
      pages = {20190008},
      url = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.2019.0008},
      doi = {https://doi.org/10.1098/rspa.2019.0008}
    }
    					
    HucSugSofHarMacLoc1996 Hucknall, P.K.; Sugden, S.; Sofield, C.J.; Harker, A.H.; Mächler, E. & Locquet, J.-P. Ion scattering for in situ characterization of composition of rm La_2-xSr_xCuO_4 films 1996 Applied Physics Letters
    Vol. 69 (20) , pp. 3081-3083  
    article
    Abstract: Ion scattering techniques in the 5-50 keV range have the potential
    to yield quantitative information on the composition of high-temperature
    superconductor (HT_c) films. To demonstrate this we have designed
    and built an ion scattering spectrometer, compact enough for in situ
    use, as an analytical tool for vacuum deposition processes. Data
    collected from rm La_2-xSr_xCuO_4 films demonstrate the excellent
    mass resolution available using heavy incident ions. Modeling of
    the data has been carried out using both a simple empirical method
    and a full Monte Carlo code. In addition to stoichiometric information,
    the contribution of light recoiled elements to the spectrum is determined.
    The estimated composition, based in these models is compared with
    the composition obtained using high energy Rutherford backscattering
    spectrometry (RBS) to verify the quantitative capabilities of the
    technique.
    BibTeX:
    @article{HucSugSofHarMacLoc1996,
      author = {Hucknall, P K and Sugden, S and Sofield, C J and Harker, A H and Mächler, E and Locquet, J-P},
      title = {Ion scattering for in situ characterization of composition of rm La_2-xSr_xCuO_4 films},
      journal = {Applied Physics Letters},
      year = {1996},
      volume = {69},
      number = {20},
      pages = {3081-3083}
    }
    					
    ISI:000073438900006 Bulatov, V.L.; Grimes, R.W. & Harker, A.H. Low-frequency oscillations in nanoclusters of Lanthanum Trifluoride 1998 Philosphical Magazine Letters
    Vol. 77 (5) , pp. 267-273  
    article
    Abstract: We report classical molecular dynamics simulations of clusters of
    up to 3120 atoms of lanthanum trifluoride. The results are analysed
    to show the extent to which such small clusters can also be described
    by simple continuum methods. The oscillations in the shape of the
    solid nanoclusters agree very well in frequency and magnitude with
    those deduced from classical elasticity theory. The liquid-drop oscillations
    which are seen in the molecular dynamics simulations show that the
    simulations reproduce the surface tension behaviour of ionic systems.
    BibTeX:
    @article{ISI:000073438900006,
      author = {Bulatov, V L and Grimes, R W and Harker, A H},
      title = {Low-frequency oscillations in nanoclusters of Lanthanum Trifluoride},
      journal = {Philosphical Magazine Letters},
      year = {1998},
      volume = {77},
      number = {5},
      pages = {267-273}
    }
    					
    ISI:A1976BM88000042 Song, K.S.; Stoneham, A.M. & Harker, A.H. Luminescence and Electronic Structure of Self-Trapped Exciton in Alkali Fluorides and Chlorides 1976 Journal of Luminescence
    Vol. 12 (1) , pp. 303-308  
    article
    BibTeX:
    @article{ISI:A1976BM88000042,
      author = {Song, K S and Stoneham, A M and Harker, A H},
      title = {Luminescence and Electronic Structure of Self-Trapped Exciton in Alkali Fluorides and Chlorides},
      journal = {Journal of Luminescence},
      year = {1976},
      volume = {12},
      number = {1},
      pages = {303-308}
    }
    					
    ISI:A1979HQ50900035 Vail, J.M. & Harker, A.H. Theory of rm F_A-Center Optical Absorption in Alkali Halides - Symmetry-Adapted Wave-Functions 1979 Physical Review B
    Vol. 20 (6) , pp. 2506-2511  
    article
    BibTeX:
    @article{ISI:A1979HQ50900035,
      author = {Vail, J M and Harker, A H},
      title = {Theory of rm F_A-Center Optical Absorption in Alkali Halides -- Symmetry-Adapted Wave-Functions},
      journal = {Physical Review B},
      year = {1979},
      volume = {20},
      number = {6},
      pages = {2506-2511}
    }
    					
    ISI:A1980KT78600023 Itoh, N.; Stoneham, A.M. & Harker, A.H. Non-Radiative Deexcitation of Highly Excited Self-Trapped Excitons in Alkali Halides - Mechanism of the F-Centre and H-Centre Production 1980 Journal of the Physical Society of Japan
    Vol. 49 (4) , pp. 1364-1371  
    article
    BibTeX:
    @article{ISI:A1980KT78600023,
      author = {Itoh, N and Stoneham, A M and Harker, A H},
      title = {Non-Radiative Deexcitation of Highly Excited Self-Trapped Excitons in Alkali Halides - Mechanism of the F-Centre and H-Centre Production},
      journal = {Journal of the Physical Society of Japan},
      year = {1980},
      volume = {49},
      number = {4},
      pages = {1364-1371}
    }
    					
    ISI:A1981MP20900033 Hintermann, A.; Stoneham, A.M. & Harker, A.H. Cluster Calculations of Muon Knight-Shift in Be 1981 Helvetica Physica Acta
    Vol. 54 (2) , pp. 248  
    article
    BibTeX:
    @article{ISI:A1981MP20900033,
      author = {Hintermann, A and Stoneham, A M and Harker, A H},
      title = {Cluster Calculations of Muon Knight-Shift in Be},
      journal = {Helvetica Physica Acta},
      year = {1981},
      volume = {54},
      number = {2},
      pages = {248}
    }
    					
    ISI:A1982PQ18100007 Harker, A.H. Computational Methods for the Electronic Structure of Defects in Insulators 1982 Lecture Notes in Physics
    Vol. 166 , pp. 82-93  
    article
    BibTeX:
    @article{ISI:A1982PQ18100007,
      author = {Harker, A H},
      title = {Computational Methods for the Electronic Structure of Defects in Insulators},
      journal = {Lecture Notes in Physics},
      year = {1982},
      volume = {166},
      pages = {82-93}
    }
    					
    ISI:A1984TD94300341 Marsh, G.P.; Taylor, K.J. & Harker, A.H. Corrosion of Carbon-Steel HLW Containers After Geological Disposal 1984 Journal of the Electrochemical Society
    Vol. 131 (8) , pp. C304  
    article
    BibTeX:
    @article{ISI:A1984TD94300341,
      author = {Marsh, G P and Taylor, K J and Harker, A H},
      title = {Corrosion of Carbon-Steel HLW Containers After Geological Disposal},
      journal = {Journal of the Electrochemical Society},
      year = {1984},
      volume = {131},
      number = {8},
      pages = {C304}
    }
    					
    ISI:A1985ADN2300008 Harding, J.H. & Harker, A.H. Calculations Of Interionic Potentials In Oxides 1985 Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
    Vol. 51 (2) , pp. 119-125  
    article
    BibTeX:
    @article{ISI:A1985ADN2300008,
      author = {Harding, J H And Harker, A H},
      title = {Calculations Of Interionic Potentials In Oxides},
      journal = {Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties},
      year = {1985},
      volume = {51},
      number = {2},
      pages = {119-125}
    }
    					
    ISI:A1987G534900004 Harker, A.H.; Sharland, S.M. & Tasker, P.W. A Mathematical Model of Uniform Corrosion of Intermediate Level Radioactive-Waste Canisters in Concrete 1987 Radioactive Waste Management and Environmental Restoration
    Vol. 8 (1) , pp. 65-85  
    article
    BibTeX:
    @article{ISI:A1987G534900004,
      author = {Harker, A H and Sharland, S M and Tasker, P W},
      title = {A Mathematical Model of Uniform Corrosion of Intermediate Level Radioactive-Waste Canisters in Concrete},
      journal = {Radioactive Waste Management and Environmental Restoration},
      year = {1987},
      volume = {8},
      number = {1},
      pages = {65-85}
    }
    					
    ISI:A1989AC56500003 Itoh, N.; Tanimura, K.; Stoneham, A.M. & Harker, A.H. The Lattice Relaxation Energy Associated with Self-Trapping of a Positive Hole and an Exciton In Alkali Halides 1989 Journal of Physics: Condensed Matter
    Vol. 1 (25) , pp. 3911-3918  
    article
    BibTeX:
    @article{ISI:A1989AC56500003,
      author = {Itoh, N and Tanimura, K and Stoneham, A M and Harker, A H},
      title = {The Lattice Relaxation Energy Associated with Self-Trapping of a Positive Hole and an Exciton In Alkali Halides},
      journal = {Journal of Physics: Condensed Matter},
      year = {1989},
      volume = {1},
      number = {25},
      pages = {3911-3918}
    }
    					
    ISI:A1989AH61000021 Itoh, N.; Stoneham, A.M. & Harker, A.H. A Theoretical Study of Desorption Induced by Electronic Transitions in Alkali Halides 1989 Surface Science
    Vol. 217 (3) , pp. 573-589  
    article
    BibTeX:
    @article{ISI:A1989AH61000021,
      author = {Itoh, N and Stoneham, A M and Harker, A H},
      title = {A Theoretical Study of Desorption Induced by Electronic Transitions in Alkali Halides},
      journal = {Surface Science},
      year = {1989},
      volume = {217},
      number = {3},
      pages = {573-589}
    }
    					
    ISI:A1989AR97600009 Marsh, G.P.; Harker, A.H. & Taylor, K.J. Corrosion of Carbon-Steel Nuclear Waste Containers in Marine Sediment 1989 Corrosion
    Vol. 45 (7) , pp. 579-589  
    article
    BibTeX:
    @article{ISI:A1989AR97600009,
      author = {Marsh, G P and Harker, A H and Taylor, K J},
      title = {Corrosion of Carbon-Steel Nuclear Waste Containers in Marine Sediment},
      journal = {Corrosion},
      year = {1989},
      volume = {45},
      number = {7},
      pages = {579-589}
    }
    					
    ISI:A1989U835400012 Harker, A.H. Quantum-Mechanical Calculations of Defect Energies 1989 Journal of the Chemical Society-Faraday Transactions II
    Vol. 85 (Part 5) , pp. 471-483  
    article
    Abstract: This paper describes the circumstances in which it it necessary to
    go beyond a semiclassical model in computing the energies of defects
    in polar solids. The emphasis will be on the ways in which a small
    cluster, treated quantum-mechanically, can be provided with an environment
    which represents both the long- and short-range potential of the
    surrounding crystal. Attention will be given to the additional level
    of self-consistency which is required between the cluster and its
    environment. The paper also reviews the application of quantum-chemical
    methods in generating parameters for the potentials used in semiclassical
    models.
    BibTeX:
    @article{ISI:A1989U835400012,
      author = {Harker, A H},
      title = {Quantum-Mechanical Calculations of Defect Energies},
      journal = {Journal of the Chemical Society-Faraday Transactions II},
      year = {1989},
      volume = {85},
      number = {Part 5},
      pages = {471-483}
    }
    					
    ISI:A1990DN05500004 Jain, U.; Harker, A.H.; Stoneham, A.M. & Williams, D.E. Effect of Electrode Geometry on Sensor Response 1990 Sensors and Actuators B-Chemical
    Vol. 2 (2) , pp. 111-114  
    article
    BibTeX:
    @article{ISI:A1990DN05500004,
      author = {Jain, U and Harker, A H and Stoneham, A M and Williams, D E},
      title = {Effect of Electrode Geometry on Sensor Response},
      journal = {Sensors and Actuators B-Chemical},
      year = {1990},
      volume = {2},
      number = {2},
      pages = {111-114}
    }
    					
    ISI:A1991FQ42400002 Wallace, D.S.; Stoneham, A.M.; Hayes, W.; Fisher, A.J. & Harker, A.H. Theory of Defects in Conducting Polymers .1. Theoretical Principles and Simple Applications 1991 Journal of Physics: Condensed Matter
    Vol. 3 (22) , pp. 3879-3903  
    article
    Abstract: We describe a method for solving simultaneously the Hartree-Fock equations
    of motion in the zero differential overlap approximation for the
    electronic structure of a molecule and the dynamical equations of
    motion for its atoms. Our approach is similar to that of Car and
    Parrinello in that we optimize the electronic structure and the geometry
    simultaneously, but differs in that we make a chosen number of iterations
    towards electronic self-consistency at each geometry rather than
    treating the electron wavefunctions as dynamical variables. We give
    examples of the use of the method to calculate the equilibrium geometries,
    dipole moments, molecular polarizabilities and vibrational frequencies
    of small molecules. In the following paper we apply this approach
    to problems of defect processes in conducting polymers.
    BibTeX:
    @article{ISI:A1991FQ42400002,
      author = {Wallace, D S and Stoneham, A M and Hayes, W and Fisher, A J and Harker, A H},
      title = {Theory of Defects in Conducting Polymers .1. Theoretical Principles and Simple Applications},
      journal = {Journal of Physics: Condensed Matter},
      year = {1991},
      volume = {3},
      number = {22},
      pages = {3879-3903}
    }
    					
    ISI:A1991HP34300006 Testa, A.; Stoneham, A.M.; Catlow, C.R.A.; Song, K.S.; Harker, A.H. & Harding, J.H. The rm V_k Centre in NaCl 1991 Radiation Effects and Defects in Solids
    Vol. 119 (Part 1) , pp. 27-32  
    article
    BibTeX:
    @article{ISI:A1991HP34300006,
      author = {Testa, A and Stoneham, A M and Catlow, C R A and Song, K S and Harker, A H and Harding, J H},
      title = {The rm V_k Centre in NaCl},
      journal = {Radiation Effects and Defects in Solids},
      year = {1991},
      volume = {119},
      number = {Part 1},
      pages = {27-32}
    }
    					
    ISI:A1992JM73900012 Asthalter, T.; Weyrich, W.; Harker, A.H.; Kunz, A.B.; Orlando, R. & Pisani, C. Comparison of Quasi-Hartree-Fock wave-functions for Lithium Hydride 1992 Solid State Communications
    Vol. 83 (9) , pp. 725-730  
    article
    Abstract: We compare the Hartree-Fock wave-functions for crystalline LiH obtained
    either with a standard Crystalline-Orbital-LCAO procedure or following
    the Adams-Gilbert-Kunz (AGK) prescription. Total energy, band-structure,
    reciprocal form factors [B(r)] are taken as a reference, for checking
    the quality of the wave-function. The influence of the inclusion
    of high angular-quantum-number functions in the AGK basis set is
    explored.
    BibTeX:
    @article{ISI:A1992JM73900012,
      author = {Asthalter, T and Weyrich, W and Harker, A H and Kunz, A B and Orlando, R and Pisani, C},
      title = {Comparison of Quasi-Hartree-Fock wave-functions for Lithium Hydride},
      journal = {Solid State Communications},
      year = {1992},
      volume = {83},
      number = {9},
      pages = {725-730}
    }
    					
    ISI:A1992JY84400005 Shluger, A.L.; Harker, A.H.; Grimes, R.W. & Catlow, C.R.A. Crystal Excitation - Survey of Many-Electron Hartree-Fock Calculations of Self-Trapped Excitons In Insulating Crystals 1992 Philosophical Transactions of the Royal Society A-Mathematical Physical and Engineering Sciences
    Vol. 341 (1661) , pp. 221-231  
    article
    Abstract: To model successfully the diversity of electronic structure exhibited
    by excitons in alkali halides and in oxide materials, it is necessary
    to use a variety or combination of theoretical methods. In this review
    we restrict our discussion to the results of embedded quantum cluster
    calculations. By considering the results of such studies, it is possible
    to recognize the general similarities and differences in detail between
    the various exciton models in these materials.
    BibTeX:
    @article{ISI:A1992JY84400005,
      author = {Shluger, A L and Harker, A H and Grimes, R W and Catlow, C R A},
      title = {Crystal Excitation - Survey of Many-Electron Hartree-Fock Calculations of Self-Trapped Excitons In Insulating Crystals},
      journal = {Philosophical Transactions of the Royal Society A-Mathematical Physical and Engineering Sciences},
      year = {1992},
      volume = {341},
      number = {1661},
      pages = {221-231},
      note = {ICECAP}
    }
    					
    ISI:A1993LB70800002 Wallace, D.; Stoneham, A.M.; Testa, A.; Harker, A.H. & Ramos, M.M.D. A New Approach to the Quantum Modeling of Biochemicals 1993 Molecular Simulation
    Vol. 9 (6) , pp. 385-&  
    article
    Abstract: We describe a new approach to the quantum chemistry of biological
    molecules and other systems where complex geometry and bonding patterns
    cause problems. Our approach combines self-consistent quantum chemistry
    with molecular dynamics, removing the need to define interatomic
    potentials in advance. The method is illustrated using serotonin
    (both in free space and with model receptors) as an example.
    BibTeX:
    @article{ISI:A1993LB70800002,
      author = {Wallace, D and Stoneham, A M and Testa, A and Harker, A H and Ramos, M M D},
      title = {A New Approach to the Quantum Modeling of Biochemicals},
      journal = {Molecular Simulation},
      year = {1993},
      volume = {9},
      number = {6},
      pages = {385-&}
    }
    					
    ISI:A1993MP24800009 Shluger, A.L.; Harker, A.H.; Puchin, V.E.; Itoh, N. & Catlow, C.R.A. Simulation of Defect Processes - Experiences With the Self-Trapped Exciton 1993 Modelling and Simulation in Materials Science and Engineering
    Vol. 1 (5) , pp. 673-692  
    article
    Abstract: We present a critical analysis of the applicability of cluster ab
    initio many-electron methods to studies of the structure and spectroscopic
    properties of defects in insulating crystals on the basis of comparison
    of the results of recent calculations with experimental data for
    self-trapped excitons. These are archetypal intrinsic defects and
    the calculation of their properties illustrates almost all the characteristic
    features of defect studies, including the study of the atomic and
    electronic structure, diffusion and spectroscopic parameters.
    BibTeX:
    @article{ISI:A1993MP24800009,
      author = {Shluger, A L and Harker, A H and Puchin, V E and Itoh, N and Catlow, C R A},
      title = {Simulation of Defect Processes - Experiences With the Self-Trapped Exciton},
      journal = {Modelling and Simulation in Materials Science and Engineering},
      year = {1993},
      volume = {1},
      number = {5},
      pages = {673-692},
      note = {ICECAP}
    }
    					
    ISI:A1994PN21400012 Harker, A.H. & Harding, J.H. Interionic Potentials for Oxides - Theory and Applications 1994 Radiation Effects and Defects in Solids
    Vol. 129 (1-2) , pp. 77-80  
    article
    BibTeX:
    @article{ISI:A1994PN21400012,
      author = {Harker, A H And Harding, J H},
      title = {Interionic Potentials for Oxides - Theory and Applications},
      journal = {Radiation Effects and Defects in Solids},
      year = {1994},
      volume = {129},
      number = {1-2},
      pages = {77-80}
    }
    					
    ISI:A1994QA81300016 Gosling, T.J.; Jain, S.C. & Harker, A.H. The Kinetics of Strain Relaxation in Lattice-Mismatched Semiconductor Layers 1994 Physica Status Solidi A-Applied Research
    Vol. 146 (2) , pp. 713-734  
    article
    Abstract: A scheme is proposed within which the elements of dislocation propagation,
    interaction, nucleation, and multiplication may be combined to yield
    a model of strain relaxation in lattice-mismatched semiconductor
    layers. interaction between perpendicular dislocations is considered
    more fully than previously, and criteria that determine whether a
    propagating threading dislocation will be blocked because of such
    an interaction are incorporated into the kinetic model. These criteria
    are developed in detail using the full half-space stresses of a dislocation,
    and then an approximation is presented that allows the results yielded
    by these criteria to be reproduced almost exactly, using formulae
    of great simplicity. Theoretical consideration of the nucleation
    and multiplication processes is found to be more difficult, but elementary
    treatments are presented that allow the kinetic model to be tested
    against experiment with reasonable results. Various problems inherent
    in the modelling of strain relaxation are highlighted and discussed.
    BibTeX:
    @article{ISI:A1994QA81300016,
      author = {Gosling, T J and Jain, S C and Harker, A H},
      title = {The Kinetics of Strain Relaxation in Lattice-Mismatched Semiconductor Layers},
      journal = {Physica Status Solidi A--Applied Research},
      year = {1994},
      volume = {146},
      number = {2},
      pages = {713-734}
    }
    					
    ISI:A1995QT96500008 Harker, A.H.; Pinardi, K.; Jain, S.C.; Atkinson, A. & Bullough, R. 2-Dimensional Finite-Element Calculation of Stress and Strain in a Stripe Epilayer and Substrate 1995 Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties
    Vol. 71 (4) , pp. 871-881  
    article
    Abstract: We report the first finite-element calculations of stress and strain
    in a layer, and the substrate on which it is grown, without any of
    the approximations used in earlier calculations. We take into account
    strain relaxation due to the finite (not `zero') thickness h of the
    stripe layer, the effect of its narrow width 2l and stresses created
    in the substrate because of the film edges. The coupling of the two
    relaxations (in the film and substrate) is found to have a large
    effect on the magnitudes of stress and strain. The previous calculations
    either neglect distortion of the substrate and/or assume a negligible
    thickness of the layer, so that there is no variation in stress in
    the layer as a function of distance from the interface. The results
    reported in this paper reveal the deficiencies of the earlier models.
    They show, for the first time, that the lattice planes of the layer
    and of the substrate near the interface are curved even though the
    substrate has `infinite' dimensions. They also show that, for a layer
    with h/l = 1 or greater, the stress in the top layer changes sign;
    that is if the layer in the centre near the interface is under compression,
    the top of the layer is under tensile stress. Results of the finite-element
    calculations are compared with analytical models and relevant available
    experimental data. Analytical models are found to be inaccurate.
    Agreement with the experimental data is satisfactory.
    BibTeX:
    @article{ISI:A1995QT96500008,
      author = {Harker, A H and Pinardi, K and Jain, S C and Atkinson, A and Bullough, R},
      title = {2-Dimensional Finite-Element Calculation of Stress and Strain in a Stripe Epilayer and Substrate},
      journal = {Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties},
      year = {1995},
      volume = {71},
      number = {4},
      pages = {871-881}
    }
    					
    ISI:A1995RC30300012 Atkinson, A.; Jain, S.C. & Harker, A.H. Strain, dislocations, and critical dimensions of laterally small lattice-mismatched semiconductor layers 1995 Journal of Applied Physics
    Vol. 77 (5) , pp. 1907-1913  
    article
    BibTeX:
    @article{ISI:A1995RC30300012,
      author = {Atkinson, A and Jain, S C and Harker, A H},
      title = {Strain, dislocations, and critical dimensions of laterally small lattice-mismatched semiconductor layers},
      journal = {Journal of Applied Physics},
      year = {1995},
      volume = {77},
      number = {5},
      pages = {1907-1913}
    }
    					
    ISI:A1995RK57600036 Jain, S.C.; Harker, A.H.; Atkinson, A. & Pinardi, K. Edge-Induced Stress and Strain in Stripe Films and Substrates - A 2-Dimensional Finite-Element Calculation 1995 Journal of Applied Physics
    Vol. 78 (3) , pp. 1630-1637  
    article
    Abstract: Finite element calculations of stresses and strains in substrates
    and stripe films of thickness h and width 2l are reported. Both variation
    of the stress in the vertical direction (away from the interface)
    in the film and distortion of the substrate are taken into account.
    The calculations show that both the horizontal and vertical lattice
    planes are curved in the film as well as in the substrate. If the
    thickness of the substrate is infinite, the curvature in the substrate
    is maximum near the interface and decays rapidly with depth. Furthermore,
    the edges near the top are over-relaxed, i.e., if the film is originally
    under compression, the stress becomes tensile because the free edge
    surfaces affect the relaxation. For a film with h/l=1 or greater,
    the stress is reversed throughout the top layer. The change from
    compression to tension takes place partly because of the Poisson
    effect and partly due to the bending of the lattice planes. The approximations
    made in the existing analytical models were examined and the conditions
    under which the models describe the stresses in the film or in the
    substrate were determined to a good approximation. Our finite element
    calculations agree with the available experimental data. Ours are
    the only theoretical results with which measured substrate stresses
    agree qualitatively. (C) 1995 American Institute of Physics.
    BibTeX:
    @article{ISI:A1995RK57600036,
      author = {Jain, S C and Harker, A H and Atkinson, A and Pinardi, K},
      title = {Edge-Induced Stress and Strain in Stripe Films and Substrates - A 2-Dimensional Finite-Element Calculation},
      journal = {Journal of Applied Physics},
      year = {1995},
      volume = {78},
      number = {3},
      pages = {1630-1637}
    }
    					
    ISI:A1995TG04100004 Torres, V.J.B.; Stoneham, A.M.; Sofield, C.J.; Harker, A.H. & Clement, C.F. Early Stages of Silicon Oxidation 1995 Interface Science
    Vol. 3 (2) , pp. 133-141  
    article
    Abstract: Experiments have shown that the early stages of silicon oxidation
    proceed layer by layer, so that one layer is essentially complete
    before another develops. Other experiments show that the mechanism
    does not involve step growth, the most obvious mechanism. We use
    a new approach to modelling the growth to show that these two observations
    can be understood when there is a rate-determining step which depends
    strongly on the local oxide thickness. The rate in question might
    be the sticking probability, or the rate of incorporation of adsorbed
    oxygen species into the oxide network. Such mechanisms are possible
    when transport by an ionic species dominates, contrary to the situation
    for thicker films. Our modelling suggests the mechanisms are driven
    by the image interaction, as in earlier suggestions by Stoneham and
    Tasker, rather than an effect of the electric field central to the
    Mott-Cabrera mechanism.
    BibTeX:
    @article{ISI:A1995TG04100004,
      author = {Torres, V J B and Stoneham, A M and Sofield, C J and Harker, A H and Clement, C F},
      title = {Early Stages of Silicon Oxidation},
      journal = {Interface Science},
      year = {1995},
      volume = {3},
      number = {2},
      pages = {133-141}
    }
    					
    ISI:A1996TU11900001 Grimes, R.W.; Harker, A.H. & Lidiard, A.B. Interatomic potentials 1996 Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
    Vol. 73 (1) , pp. 1  
    article
    BibTeX:
    @article{ISI:A1996TU11900001,
      author = {Grimes, R W and Harker, A H and Lidiard, AB},
      title = {Interatomic potentials},
      journal = {Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties},
      year = {1996},
      volume = {73},
      number = {1},
      pages = {1}
    }
    					
    ISI:A1996UN20700064 Dietrich, B.; Bugiel, E.; Frankenfeldt, H.; Harker, A.H.; Jagdhold, U.; Tillack, B. & Wolff, A. Strain measurement in thin pseudomorphic SiGe layers of submicron wires using Raman spectroscopy 1996 Solid-State Electronics
    Vol. 40 (1-8, Sp. Iss. SI) , pp. 307-310  
    article
    Abstract: The internal strain in thin heteroepitaxial Si1-xGex layers was investigated
    before and after etching the material between the remaining narrow
    stripes. The strong inner stress in pseudomorphic heterostructures,
    caused by the difference in the lattice constants of Si and Si1-xGex,
    relaxes in small regions after removing the surrounding layer material
    which mediates the stress. Strain and relaxation were determined
    from micro-Raman measurements. These measurements were compared with
    calculations using a two-dimensional finite element program to predict
    the strain distributions in Si1-xGex layers. Assuming a pure elastic
    relaxation of the pseudomorphic strain we have found a reasonably
    good agreement between the measured and calculated Raman shifts.
    BibTeX:
    @article{ISI:A1996UN20700064,
      author = {Dietrich, B and Bugiel, E and Frankenfeldt, H and Harker, A H and Jagdhold, U and Tillack, B and Wolff, A},
      title = {Strain measurement in thin pseudomorphic SiGe layers of submicron wires using Raman spectroscopy},
      journal = {Solid-State Electronics},
      year = {1996},
      volume = {40},
      number = {1-8, Sp. Iss. SI},
      pages = {307-310},
      note = {7th International Conference on Modulated Semiconductor Structures (MSS-7), Madrid, Spain, July 10-14, 1995}
    }
    					
    ISI:A1996UQ25600017 Atkinson, A.; Johnson, T.; Harker, A.H. & Jain, S.C. Film edge-induced stress in substrates and finite film 1996 Thin Solid Films
    Vol. 274 (1-2) , pp. 106-112  
    article
    BibTeX:
    @article{ISI:A1996UQ25600017,
      author = {Atkinson, A and Johnson, T and Harker, A H and Jain, S C},
      title = {Film edge-induced stress in substrates and finite film},
      journal = {Thin Solid Films},
      year = {1996},
      volume = {274},
      number = {1-2},
      pages = {106-112}
    }
    					
    ISI:A1996VX71800040 Godwin, P.D.; Horsfield, A.P.; Stoneham, A.M.; Bull, S.J.; Ford, I.J.; Harker, A.H.; Pettifor, D.G. & Sutton, A.P. Computational materials synthesis .3. Synthesis of hydrogenated amorphous carbon from molecular precursors 1996 Physical Review B
    Vol. 54 (22) , pp. 15785-15794  
    article
    Abstract: A simple tight-binding model is used to simulate the synthesis of
    a range of hydrogenated amorphous carbons having differing compositions
    and formed under differing processing conditions from benzene and
    ethene molecular precursors. The resultant structures are analyzed
    and we find both olefinic and delocalized pi-bonding systems. In
    the more dense structures we find highly defected graphitic inclusions
    crosslinked by fourfold coordinated carbon atoms. In the less dense
    structures we find chains, weakly attached rings, and large voids.
    There are both similarities and differences in the structures from
    different molecular precursors.
    BibTeX:
    @article{ISI:A1996VX71800040,
      author = {Godwin, P D and Horsfield, A P and Stoneham, A M and Bull, S J and Ford, I J and Harker, A H and Pettifor, D G and Sutton, A P},
      title = {Computational materials synthesis .3. Synthesis of hydrogenated amorphous carbon from molecular precursors},
      journal = {Physical Review B},
      year = {1996},
      volume = {54},
      number = {22},
      pages = {15785-15794}
    }
    					
    ItoStoHar1977 Itoh, N.; Stoneham, A.M. & Harker, A.H. The initial protection of defects in alkali halides: F and H centre production by non-radiative decay of the self-trapped exciton 1977 Journal of Physics C: Solid State Physics
    Vol. 10 (21) , pp. 4197  
    article
    Abstract: Radiation damage in KCl can be produced by the decay of a self-trapped
    exciton into an F centre and an H centre. The authors present calculations
    of the energies of the states involved for various stages in the
    evolution of the damage. These lead to important conclusions about
    the very rapid damage process, and support strongly Itoh and Saidoh's
    suggestion (1973) that damage proceeds through an excited hole state.
    The results also help in understanding the prompt decay of F and
    H pairs at low temperatures, the thermal annihilation of F and H
    centres, the effects of optical excitation of the self-trapped exciton,
    and some of the trends within the alkali halides. The calculations
    use a self-consistent semi-empirical molecular-orbital method. A
    large cluster of ions is used (either 42 or 57 ions) plus long-range
    Madelung terms. The ion positions were obtained from separate lattice-relaxation
    calculations with the HADES code. The choice of CNDO parameters and
    the adequacy of the method were checked by a number of separate predictions.
    BibTeX:
    @article{ItoStoHar1977,
      author = {Itoh, N and Stoneham, A M and Harker, A H},
      title = {The initial protection of defects in alkali halides: F and H centre production by non-radiative decay of the self-trapped exciton},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1977},
      volume = {10},
      number = {21},
      pages = {4197},
      url = {http://stacks.iop.org/0022-3719/10/i=21/a=010}
    }
    					
    JaiDieRicAtkHar1995 Jain, S.C.; Dietrich, B.; Richter, H.; Atkinson, A. & Harker, A.H. Stresses in strained GeSi stripes: Calculation and determination from Raman measurements 1995 Physical Review B
    Vol. 52 (6) , pp. 6247 - 6253  
    article
    Abstract: Three mechanisms by which edges induce stress relaxation in GeSi strained
    stripes are described and their relative importance is discussed.
    Relaxation of stresses in the middle of the layers with l/h(=half-width/thickness)
    varying from 3 to 100 is calculated including the effect of the two
    mechanisms which are important in this range. The values calculated
    in this manner agree with our recent finite element calculations.
    Since the stresses in the stripes in the two orthogonal directions
    are not equal and since the stripes are usually grown in the [110]
    direction on a (100) substrate, determination of stress and strain
    using Raman measurements is not straightforward. A relation between
    the shifts Δ3 in the LO Raman frequency and stresses
    and strains in the stripe is established. With the help of this relation,
    a single measurement of ??3 is sufficient to determine all the stresses
    and strains in the middle of the top layer of the stripe. Using recently
    measured values of Δ3 and known values of phonon deformation
    potentials, stresses inrm Ge_0.14Si_0.86 stripes are determined.
    The values determined in this manner agree with the calculated values
    within the uncertainty in the available values of deformation potentials.
    The method developed is general and can be used for other semiconductor
    stripes irrespective of whether the strain is thermal or due to lattice
    mismatch.
    BibTeX:
    @article{JaiDieRicAtkHar1995,
      author = {Jain, S C and Dietrich, B and Richter, H and Atkinson, A and Harker, A H},
      title = {Stresses in strained GeSi stripes: Calculation and determination from Raman measurements},
      journal = {Physical Review B},
      year = {1995},
      volume = {52},
      number = {6},
      pages = {6247 - 6253}
    }
    					
    JaiHarCow1997 Jain, S.C.; Harker, A.H. & Cowley, R.A. Misfit strain and misfit dislocations in lattice mismatched epitaxial layers and other systems 1997 Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties
    Vol. 75 (6) , pp. 1461-1515  
    article
    Abstract: Heterostructures in the form of thin layers of one material grown
    on a substrate have been the subject of intense study for several
    years. In the case of semiconductor systems the aim is to grow epitaxial
    layers of, for example, Si1-xGex on Si, and devices based on such
    structures are already in use. Much is known, as is summarized in
    this review, about the stability of such systems against the insertion
    of dislocations, and about the critical thicknesses up to which strained
    layer structures are stable. The effects of dislocation nucleation
    and the dynamics of dislocation motion which lead to strain relaxation
    in metastable systems are also reviewed. The present state of theoretical
    understanding is compared with what is known experimentally. For
    metallic systems, which often exhibit magnetic properties, the underlying
    problems of lattice mismatch and strain relief are similar, but much
    of the interest has been concentrated on the commensurate-incommensurate
    transition in both structurally and magnetically modulated materials.
    The theory of this transition is reviewed, both for metallic systems
    and for epitaxial layers on graphite. In bringing together these
    different classes of systems within one review, it has been possible
    to demonstrate the parallels between them. It is hoped that, as a
    result, transfers of ideas between the fields will be promoted.
    BibTeX:
    @article{JaiHarCow1997,
      author = {Jain, S C and Harker, A H and Cowley, R A},
      title = {Misfit strain and misfit dislocations in lattice mismatched epitaxial layers and other systems},
      journal = {Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties},
      year = {1997},
      volume = {75},
      number = {6},
      pages = {1461-1515}
    }
    					
    JaiJaiHarBul1995 Jain, U.; Jain, S.C.; Harker, A.H. & Bullough, R. Nucleation of Dislocation Loops in Strained Epitaxial Layers 1995 Journal of Applied Physics
    Vol. 77 (1) , pp. 103-109  
    article
    Abstract: The combined effect of the misfit strain and the strain caused by
    a neighboring defect on the activation energy of nucleation of dislocation
    loops is calculated. Defects of different sizes and shapes and located
    at different distances from the loop are considered. At very low
    mismatches (<0.5%) and with very small defects, the activation energy
    is not sufficiently reduced and large layer thicknesses are required
    for nucleation. At mismatches of 1% or more, and with defect sizes
    of 1.5 nm or larger, heterogeneous nucleation at growth temperatures
    becomes possible. These defects are more efficient in reducing the
    energy when they are at the center of the loop. Though impurities
    located within the core of the dislocations can reduce the core parameter
    substantially and therefore reduce the activation energy, in practice
    this is unlikely to occur. Very large defects such as SiO2 and SiC
    precipitates reduce the activation energy of nucleation over large
    distances thereby inducing the nucleation of several loops which
    results in very rapid relaxation of strain. In highly mismatched
    layers (48 homogeneous nucleation occurs at about 400?500?
    C. Why the periodic arrangement of misfit dislocations is observed
    only in the highly mismatched layers is explained.
    BibTeX:
    @article{JaiJaiHarBul1995,
      author = {Jain, U and Jain, S C and Harker, A H and Bullough, R},
      title = {Nucleation of Dislocation Loops in Strained Epitaxial Layers},
      journal = {Journal of Applied Physics},
      year = {1995},
      volume = {77},
      number = {1},
      pages = {103-109}
    }
    					
    KerHarSto2004 Kerridge, A.; Harker, A.H. & Stoneham, A.M. Quantum behaviour of hydrogen and muonium in vacancy-containing complexes in diamond 2004 Journal of Physics: Condensed Matter
    Vol. 16 (47) , pp. 8743-8751  
    article
    BibTeX:
    @article{KerHarSto2004,
      author = {Kerridge, A and Harker, A H and Stoneham, A M},
      title = {Quantum behaviour of hydrogen and muonium in vacancy-containing complexes in diamond},
      journal = {Journal of Physics: Condensed Matter},
      year = {2004},
      volume = {16},
      number = {47},
      pages = {8743-8751},
      note = {AHH}
    }
    					
    KerHarSto2007 Kerridge, A.; Harker, A.H. & Stoneham, A.M. Electron dynamics in quantum gate operation 2007 Journal of Physics: Condensed Matter
    Vol. 19 , pp. 282201  
    article
    BibTeX:
    @article{KerHarSto2007,
      author = {Kerridge, A and Harker, A H and Stoneham, A M},
      title = {Electron dynamics in quantum gate operation},
      journal = {Journal of Physics: Condensed Matter},
      year = {2007},
      volume = {19},
      pages = {282201},
      note = {AHH}
    }
    					
    KerSavHarSto2006 Kerridge, A.; Savory, S.; Harker, A.H. & Stoneham, A.M. Time dependent quantum simulations of two-qubit gates based on donor states in silicon 2006 Journal of Physics Condensed Matter
    Vol. 18 (21) , pp. S767-776  
    article
    Abstract: Many quantum gate proposals make physical assumptions to ease analysis.
    Here we explicitly consider the effect of these assumptions for a
    particular two-qubit gate proposal, a cube-root-of-unity gate, in
    which the two qubits are donors in a semiconductor coupled via an
    intermediate 'control' spin. Our approach considers directly the
    electronic structures of the qubit and control impurity systems.
    We find that such gates are highly sensitive to environmental factors
    overlooked in analytically soluble models, but that there are regimes
    in which simplifying assumptions are valid and lead to high fidelity
    gates.
    BibTeX:
    @article{KerSavHarSto2006,
      author = {Kerridge, A and Savory, S and Harker, A H and Stoneham, A M},
      title = {Time dependent quantum simulations of two-qubit gates based on donor states in silicon},
      journal = {Journal of Physics Condensed Matter},
      year = {2006},
      volume = {18},
      number = {21},
      pages = {S767-776},
      note = {AHH}
    }
    					
    KotHarVenEdi2018 Kothandaraman, A.; Harker, A.; Ventikos, Y. & Edirisinghe, M. Novel Preparation of Monodisperse Microbubbles by Integrating Oscillating Electric Fields with Microfluidics 2018 Micromachines
    Vol. 9 (10) , pp. 497  
    article
    Abstract: Microbubbles generated by microfluidic techniques have gained substantial interest in various industries such as cosmetics, food engineering, and the biomedical field. The microfluidic T-junction provides exquisite control over processing parameters, however, it relies on pressure driven flows only; therefore, bubble size variation is limited especially for viscous solutions. A novel set-up to superimpose an alternating current (AC) oscillation onto a direct current (DC) field is invented in this work, capitalising on the possibility to excite bubble resonance phenomenon and properties, and introducing relevant parameters such as frequency, AC voltage, and waveform to further control bubble size. A capillary embedded T-junction microfluidic device fitted with a stainless-steel capillary was utilised for microbubble formation. Furthermore, a numerical model of the T-junction was developed by integrating the volume of fluid (VOF) method with the electric module; simulation results were attained for the formation of the microbubbles with a particular focus on the flow fields along the detachment of the emerging bubble. Two main types of experiments were conducted in this framework: the first was to test the effect of applied AC voltage magnitude and the second was to vary the applied frequency. Experimental results indicated that higher frequencies have a pronounced effect on the bubble diameter within the 100 Hz and 2.2 kHz range, whereas elevated AC voltages tend to promote bubble elongation and growth. Computational results suggest there is a uniform velocity field distribution along the bubble upon application of a superimposed field and that microbubble detachment is facilitated by the recirculation of the dispersed phase. Furthermore, an ideal range of parameters exists to tailor monodisperse bubble size for specific applications.
    BibTeX:
    @article{KotHarVenEdi2018,
      author = {Kothandaraman, Anjana and Harker, Anthony and Ventikos, Yiannis and Edirisinghe, Mohan},
      title = {Novel Preparation of Monodisperse Microbubbles by Integrating Oscillating Electric Fields with Microfluidics},
      journal = {Micromachines},
      year = {2018},
      volume = {9},
      number = {10},
      pages = {497},
      url = {http://www.mdpi.com/2072-666X/9/10/497},
      doi = {https://doi.org/10.3390/mi9100497}
    }
    					
    LefHar1976 Lefrant, S. & Harker, A.H. Theoretical Study Of F Centres In BaClF and SrClF 1976 Solid State Communications
    Vol. 19 (9) , pp. 853-856  
    article
    BibTeX:
    @article{LefHar1976,
      author = {Lefrant, S and Harker, A H},
      title = {Theoretical Study Of F Centres In BaClF and SrClF},
      journal = {Solid State Communications},
      year = {1976},
      volume = {19},
      number = {9},
      pages = {853-856}
    }
    					
    LefHarTau1975 Lefrant, S.; Harker, A.H. & Taurel, L. F and perturbed F(F*) centres in strontium chloride 1975 Journal of Physics C: Solid State Physics
    Vol. 8 (8) , pp. 1119  
    article
    Abstract: Point-ion and ion-size calculations on F centres and F* centres (F
    centres perturbed by an alkaline impurity) in SrCl 2 are described.
    The point-ion calculation for the F centre gives a transition energy
    of 2.11 eV (experiment 2.13 eV) and a hyperfine interaction with
    the hearest 35 Cl nuclei of 45.7 MHz (experiment 23.8 MHz). Ion-size
    calculations lead to an improved value for the hyperfine interaction.
    A model of the F* centre with an interstitial alkali ion in a second-neighbour
    position and associated distortions explains the observed optical
    absorption spectra.
    BibTeX:
    @article{LefHarTau1975,
      author = {Lefrant, S and Harker, A H and Taurel, L},
      title = {F and perturbed F(F*) centres in strontium chloride},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1975},
      volume = {8},
      number = {8},
      pages = {1119},
      url = {http://stacks.iop.org/0022-3719/8/i=8/a=015}
    }
    					
    LefYusHouHar1976 Lefrant, S.; Yuste, M.; Houlier, B. & Harker, A.H. Study of F centres in quadratic and orthorhombic crystals 1976 Journal de Physique
    Vol. 12 (Suppl) , pp. C7-232  
    article
    BibTeX:
    @article{LefYusHouHar1976,
      author = {Lefrant, S and Yuste, M and Houlier, B and Harker, A H},
      title = {Study of F centres in quadratic and orthorhombic crystals},
      journal = {Journal de Physique},
      year = {1976},
      volume = {12},
      number = {Suppl},
      pages = {C7-232}
    }
    					
    MakHarKwoEdiRosMurEzr2016 Mak, F.H.W.; Harker, A.; Kwon, K.-A.; Edirisinghe, M.; Rose, G.E.; Murta, F. & Ezra, D.G. Analysis of blink dynamics in patients with blepharoptosis 2016 Journal of The Royal Society Interface
    Vol. 13 (116)  
    article harker
    Abstract: Owing to the rapid movements of the human upper eyelid, a high-speed
    camera was used to record and characterize voluntary blinking and
    the blink dynamics of blepharoptosis patients were compared to a
    control group. Twenty-six blepharoptosis patients prior to surgery
    and 45 control subjects were studied and the vertical height of the
    palpebral aperture (PA) was measured manually at 2 ms intervals during
    each blink cycle. The PA and blinking speed were plotted with respect
    to time and a predictive model was generated. The blink dynamic was
    analysed in closing and opening phases, and revealed a reduced speed
    of the initial opening phase in ptotic patients, suggesting intrinsic
    muscle function change in ptosis pathogenesis. The PA versus time
    curve for each subject was reconstructed using custom-built parameters;
    however, there were significant differences between the two groups.
    Those parameters used included the rate of closure, the delay between
    opening and closing, rate of initial opening, rate of slow opening
    (nonlinear function) and the `switch point' between those two rates
    of opening. The model was tested against a new group of subjects
    and was able to discriminate ptosis patients from controls with 80%
    accuracy.
    BibTeX:
    @article{MakHarKwoEdiRosMurEzr2016,
      author = {Mak, Felix H W and Harker, Anthony and Kwon, Kyung-Ah and Edirisinghe, Mohan and Rose, Geoffrey E and Murta, Fabiola and Ezra, Daniel G},
      title = {Analysis of blink dynamics in patients with blepharoptosis},
      journal = {Journal of The Royal Society Interface},
      publisher = {The Royal Society},
      year = {2016},
      volume = {13},
      number = {116},
      url = {http://rsif.royalsocietypublishing.org/content/13/116/20150932},
      doi = {https://doi.org/10.1098/rsif.2015.0932}
    }
    					
    MarBalHar1986a Martin, T.P.; Balint-Kurti, G.G. & Harker, A.H. Valence-Electron-Only Molecular-Orbital Calculations of the Energies of Impurities in Metals 1986 Journal of Physics C: Solid State Physics
    Vol. 19 (25) , pp. 4917-4933  
    article
    BibTeX:
    @article{MarBalHar1986a,
      author = {Martin, T P and Balint-Kurti, G G and Harker, A H},
      title = {Valence-Electron-Only Molecular-Orbital Calculations of the Energies of Impurities in Metals},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1986},
      volume = {19},
      number = {25},
      pages = {4917-4933}
    }
    					
    MarBalHar1986b Martin, T.P.; Balint-Kurti, G.G. & Harker, A.H. Valence-Electron-Only Molecular-Orbital Calculations of Knight Shifts of Muons in Metals 1986 Journal of Physics C: Solid State Physics
    Vol. 19 (25) , pp. 4935-4951  
    article
    BibTeX:
    @article{MarBalHar1986b,
      author = {Martin, T P and Balint-Kurti, G G and Harker, A H},
      title = {Valence-Electron-Only Molecular-Orbital Calculations of Knight Shifts of Muons in Metals},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1986},
      volume = {19},
      number = {25},
      pages = {4935-4951}
    }
    					
    MasHarSto1983 Masri, P.; Harker, A.H. & Stoneham, A.M. Nature and diffusion of the self-interstitial in silicon 1983 Journal of Physics C: Solid State Physics
    Vol. 16 (18) , pp. L613  
    article
    Abstract: The authors exploit self-consistent, semi-empirical molecular orbital
    calculations (CNDO) for large silicon clusters to characterise self-interstitials.
    Hexagonal (I + ) and split (100) forms (I - and probably I 0 ) are
    favoured among the several forms investigated. Possible extended
    high-temperature forms are not discussed. The results imply Bourgoin-Corbett
    (1972) athermal diffusion in p-Si and low-activation energy classical
    motion in n-Si; local excitation enhanced motion is possible, though
    not verified, but local heating is unlikely. Results agree well with
    experiment, both for Si and in understanding the different behaviour
    of silicon and diamond. The energetic advantage of the split form
    predicted is also supported by the observed split impurity interstitials
    and unidentified defects, related to the self-interstitial, observed
    in structures similar to the split (100) form.
    BibTeX:
    @article{MasHarSto1983,
      author = {Masri, P and Harker, A H and Stoneham, A M},
      title = {Nature and diffusion of the self-interstitial in silicon},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1983},
      volume = {16},
      number = {18},
      pages = {L613},
      url = {http://stacks.iop.org/0022-3719/16/i=18/a=003}
    }
    					
    OngHarSto1993 Ong, C.K.; Harker, A.H. & Stoneham, A.M. Environment of the rm P_b centre at the Si (111)/oxide interface 1993 Interface Science
    Vol. 1 (2) , pp. 139-146  
    article
    BibTeX:
    @article{OngHarSto1993,
      author = {Ong, C K and Harker, A H and Stoneham, A M},
      title = {Environment of the rm P_b centre at the Si (111)/oxide interface},
      journal = {Interface Science},
      year = {1993},
      volume = {1},
      number = {2},
      pages = {139-146}
    }
    					
    OsmBaiHarFasHooFor2012 Osmanovic, D.; Bailey, J.; Harker, A.H.; Fassati, A.; Hoogenboom, B.W. & Ford, I.J. Bistable collective behavior of polymers tethered in a nanopore 2012 Phys. Rev. E
    Vol. 85 , pp. 061917  
    article
    Abstract: Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport
    and in a number of biomimetic and nanotechnological applications.
    Here we present Monte Carlo and Density Functional Theory approaches
    to identify different collective phases of end-grafted polymers in
    a nanopore and to study their relative stability as a function of
    intermolecular interactions. Over a range of system parameters that
    is relevant for nuclear pore complexes, we observe two distinct phases:
    one with the bulk of the polymers condensed at the wall of the pore,
    and the other with the polymers condensed along its central axis.
    The relative stability of these two phases depends on the interpolymer
    interactions. The existence the two phases suggests a mechanism in
    which marginal changes in these interactions, possibly induced by
    nuclear transport receptors, cause the pore to transform between
    open and closed configurations, which will influence transport through
    the pore.
    BibTeX:
    @article{OsmBaiHarFasHooFor2012,
      author = {Osmanovic, Dino and Bailey, Joe and Harker, Anthony H and Fassati, Ariberto and Hoogenboom, Bart W and Ford, Ian J},
      title = {Bistable collective behavior of polymers tethered in a nanopore},
      journal = {Phys. Rev. E},
      publisher = {American Physical Society},
      year = {2012},
      volume = {85},
      pages = {061917},
      url = {http://link.aps.org/doi/10.1103/PhysRevE.85.061917},
      doi = {https://doi.org/10.1103/PhysRevE.85.061917}
    }
    					
    ParReaKnoBroStrPedHarEdi2016 Parhizkar, M.; Reardon, P.J.T.; Knowles, J.C.; Browning, R.J.; Stride, E.; Pedley, B.R.; Harker, A.H. & Edirisinghe, M. Electrohydrodynamic encapsulation of cisplatin in poly (lactic-co-glycolic acid) nanoparticles for controlled drug delivery 2016 Nanomedicine: Nanotechnology, Biology and Medicine
    Vol. 12 (7) , pp. 1919-1929  
    article
    Abstract: Targeted delivery of potent, toxic chemotherapy drugs, such as cisplatin,
    is a significant area of research in cancer treatment. In this study,
    cisplatin was successfully encapsulated with high efficiency (>70
    in poly (lactic-co-glycolic acid) polymeric nanoparticles by using
    electrohydrodynamic atomization (EHDA) where applied voltage and
    solution flow rate as well as the concentration of cisplatin and
    polymer were varied to control the size of the particles. Thus, nanoparticles
    were produced with three different drug:polymer ratios (2.5, 5 and
    10wt% cisplatin). It was shown that smaller nanoparticles were produced
    with 10wt% cisplatin. Furthermore, these demonstrated the best sustained
    release (smallest burst release). By fitting the experimental data
    with various kinetic models it was concluded that the release is
    dependent upon the particle morphology and the drug concentration.
    Thus, these particles have significant potential for cisplatin delivery
    with controlled dosage and release period that are crucial chemotherapy
    parameters.
    BibTeX:
    @article{ParReaKnoBroStrPedHarEdi2016,
      author = {Parhizkar, Maryam and Reardon, Philip J T and Knowles, Jonathan C and Browning, Richard J and Stride, Eleanor and Pedley, Barbara R and Harker, Anthony H and Edirisinghe, Mohan},
      title = {Electrohydrodynamic encapsulation of cisplatin in poly (lactic-co-glycolic acid) nanoparticles for controlled drug delivery},
      journal = {Nanomedicine: Nanotechnology, Biology and Medicine},
      year = {2016},
      volume = {12},
      number = {7},
      pages = {1919-1929},
      url = {http://dx.doi.org/10.1016/j.nano.2016.05.005},
      doi = {https://doi.org/10.1016/j.nano.2016.05.005}
    }
    					
    ReaParHarBroVasStrPedEdiKno2017 Reardon, P.J.T.; Parhizkar, M.; Harker, A.H.; Browning, R.J.; Vassileva, V.; Stride, E.; Pedley, R.B.; Edirisinghe, M. & Knowles, J.C. Electrohydrodynamic fabrication of core-shell PLGA nanoparticles with controlled release of cisplatin for enhanced cancer treatment 2017 International Journal of Nanomedicine
    Vol. 12 , pp. 3913-3926  
    article
    Abstract: Increasing the clinical efficacy of toxic chemotherapy drugs such as cisplatin (CDDP), via targeted drug delivery, is a key area of research in cancer treatment. In this study, CDDP-loaded poly(lactic-co-glycolic acid) (PLGA) polymeric nanoparticles (NPs) were successfully prepared using electrohydrodynamic atomization (EHDA). The configuration was varied to control the distribution of CDDP within the particles, and high encapsulation efficiency (>70%) of the drug was achieved. NPs were produced with either a core-shell (CS) or a matrix (uniform) structure. It was shown that CS NPs had the most sustained release of the 2 formulations, demonstrating a slower linear release post initial ``burst'' and longer duration. The role of particle architecture on the rate of drug release in vitro was confirmed by fitting the experimental data with various kinetic models. This indicated that the release process was a simple diffusion mechanism. The CS NPs were effectively internalized into the endolysosomal compartments of cancer cells and demonstrated an increased cytotoxic efficacy (concentration of a drug that gives half maximal response [rm EC_50] reaching 6.2rmμ M) compared to free drug (rm EC_50 =9rmμ M) and uniform CDDP-distributed NPs (rm EC_50 =7.6rmμ M) in vitro. Thus, these experiments indicate that engineering the structure of PLGA NPs can be exploited to control both the dosage and the release characteristics for improved clinical chemotherapy treatment.
    BibTeX:
    @article{ReaParHarBroVasStrPedEdiKno2017,
      author = {Reardon, P J T and Parhizkar, M and Harker, A H and Browning, R J and Vassileva, V and Stride, E and Pedley, R B and Edirisinghe, M and Knowles, J C},
      title = {Electrohydrodynamic fabrication of core-shell PLGA nanoparticles with controlled release of cisplatin for enhanced cancer treatment},
      journal = {International Journal of Nanomedicine},
      year = {2017},
      volume = {12},
      pages = {3913-3926}
    }
    					
    ShaBraHuoHarEdiEdi2019 Shams, T.; Brako, F.; Huo, S.; Harker, A.H.; Edirisinghe, U. & Edirisinghe, M. The influence of drug solubility and sampling frequency on metformin and glibenclamide release from double-layered particles: experimental analysis and mathematical modelling 2019 J R Soc Interface,
    Vol. 16 (155) , pp. 20190237.  
    article
    BibTeX:
    @article{ShaBraHuoHarEdiEdi2019,
      author = {Shams, T and Brako, F and Huo, S and Harker, A.H. and Edirisinghe, U. and Edirisinghe, M},
      title = {The influence of drug solubility and sampling frequency on metformin and glibenclamide release from double-layered particles: experimental analysis and mathematical modelling},
      journal = {J R Soc Interface,},
      year = {2019},
      volume = {16},
      number = {155},
      pages = {20190237.},
      doi = {https://doi.org/10.1098/rsif.2019.0237}
    }
    					
    ShaBriGosRayKerHarSto2005 Shaw, M.J.; Briddon, P.R.; Goss, J.P.; Rayson, M.J.; Kerridge, A.; Harker, A.H. & Stoneham, A.M. Importance of Quantum Tunneling in Vacancy-Hydrogen Complexes in Diamond 2005 Physical Review Letters
    Vol. 95 , pp. 105502-105505  
    article
    Abstract: Our ab initio calcullations of the hyperfine parameters for negatively
    c harged vacancy-hydrogen and nitrogen-vacancy-hydrogen complexes
    in diamond compare static defect models and mode ls whic h account
    for the quantum tunneling behavior of hydrogen. T he static models
    give rise to hyperfine splittings that are inconsistent with the
    experimental e lectron paramagnetic resonance data. In contrast,
    the hyperfine parameters for the quantum dynamical models are in
    agreement with the experimental observations. W e show that the quantum
    motion of the proton is crucial to the prediction of symmetry and
    hyperfine constants for two simple defect centers in diamond. Static
    a priori methods fail for these systems.
    BibTeX:
    @article{ShaBriGosRayKerHarSto2005,
      author = {Shaw, M J and Briddon, P R and Goss, J P and Rayson, M J and Kerridge, A and Harker, A H and Stoneham, A M},
      title = {Importance of Quantum Tunneling in Vacancy-Hydrogen Complexes in Diamond},
      journal = {Physical Review Letters},
      year = {2005},
      volume = {95},
      pages = {105502-105505},
      note = {AHH}
    }
    					
    ShamllaParHarEdiOrlEdi2018 Shams, T.; Illangakoon, U.E.; Parhizkar, M.; Harker, A.H.; Edirisinghe, S.; Orlu, M. & Edirisinghe, M. Electrosprayed microparticles for intestinal delivery of prednisolone J R Soc Interface
    Vol. 15 (145)  
    article
    BibTeX:
    @article{ShamllaParHarEdiOrlEdi2018,
      author = {Shams, T and Illangakoon, U E and Parhizkar, M and Harker, A H and Edirisinghe, S and Orlu, M and Edirisinghe, M},
      title = {Electrosprayed microparticles for intestinal delivery of prednisolone},
      journal = {J R Soc Interface},
      year = {2018},
      volume = {15},
      number = {145},
      doi = {https://doi.org/10.1098/rsif.2018.0491}
    }
    					
    ShlHarPucItoCra1993 Shluger, A.L.; Harker, A.H.; Puchin, V.E.; Itoh, N. & Catlow, C.R.A. Simulation of defect processes: experiences with the self-trapped exciton 1993 Modelling and Simulation in Materials Science and Engineering
    Vol. 1 (5) , pp. 673  
    article
    Abstract: Presents a critical analysis of the applicability of cluster ab initio
    many-electron methods to studies of the structure and spectroscopic
    properties of defects in insulating crystals on the basis of comparison
    of the results of recent calculations with experimental data for
    self-trapped excitons. These are archetypal intrinsic defects and
    the calculation of their properties illustrates almost all the characteristic
    features of defect studies, including the study of the atomic and
    electronic structure, diffusion and spectroscopic parameters.
    BibTeX:
    @article{ShlHarPucItoCra1993,
      author = {Shluger, A L and Harker, A H and Puchin, V E and Itoh, N and Catlow, C R A},
      title = {Simulation of defect processes: experiences with the self-trapped exciton},
      journal = {Modelling and Simulation in Materials Science and Engineering},
      year = {1993},
      volume = {1},
      number = {5},
      pages = {673},
      url = {http://stacks.iop.org/0965-0393/1/i=5/a=008}
    }
    					
    SmiHar1984 Smith, D.Y. & Harker, A.H. Spin-Orbit Effects in Non-Central-Force Systems - Host-Lattice Effects in F-Centers 1984 Physical Review Letters
    Vol. 52 (1) , pp. 73-76  
    article
    Abstract: Two new trends associated with spin-orbit effects in a non-central-force
    field are evident in recent data for F centers: (1) an inverse power-law
    dependence of spin-orbit splitting on the lattice parameter of the
    host crystal and (2) a direct dependence of the splitting on the
    size of the host-lattice ions. These features may be summarized by
    a simple semiempirical formula closely related to the Mollwo-Ivey
    relation for the absorption energy.
    BibTeX:
    @article{SmiHar1984,
      author = {Smith, D Y and Harker, A H},
      title = {Spin-Orbit Effects in Non-Central-Force Systems - Host-Lattice Effects in F-Centers},
      journal = {Physical Review Letters},
      year = {1984},
      volume = {52},
      number = {1},
      pages = {73-76}
    }
    					
    SmiHar1984a Smith, D.Y. & Harker, A.H. Host-Lattice Effects in the Spin Orbit Fine Structure of Vacancy-Trapped Electrons 1984 Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms
    Vol. 1 (2-3) , pp. 445-451  
    article
    Abstract: Defects in ionic solids involving an electron trapped by an anion
    vacancy exhibit several unique properties arising from spin-orbit
    effects in non-central-force systems, including a complex dependence
    of the spin-orbit splitting on host-crystal properties. Two such
    trends evident in new data for F centers are: (a) an approximate
    inverse power-law dependence of the F-center spin-orbit splitting
    on the host-crystal lattice parameter and (b) a direct dependence
    of the splitting on the size of the host-lattice ions. It is demonstrated
    that the spin-orbit splitting may be described by a semi-empirical
    formula , F = C_+ r_+d^p+
    + C_- r_-d^p- with p ≈ 2.7,
    where ± are the lattice-ion spin-orbit coupling constants,
    r_± are the ionic radii, and d is the nearest-neighbour distance
    This result is shown to be implicit in the general theory, and a
    geometric interpretation of the result consistent with the Mollwo-Ivey
    relation for the F-band energy is suggested.
    BibTeX:
    @article{SmiHar1984a,
      author = {Smith, D Y and Harker, A H},
      title = {Host-Lattice Effects in the Spin Orbit Fine Structure of Vacancy-Trapped Electrons},
      journal = {Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms},
      year = {1984},
      volume = {1},
      number = {2-3},
      pages = {445-451}
    }
    					
    SonStoHar1975 Song, K.S.; Stoneham, A.M. & Harker, A.H. Electronic structure of the self-trapped exciton in alkali fluorides and chlorides 1975 Journal of Physics C: Solid State Physics
    Vol. 8 (8) , pp. 1125  
    article
    Abstract: The authors report pseudopotential calculations for the relaxed exciton
    in alkali fluorides ahd chlorides, with emphasis on NaCl. These calculations
    supplement earlier Hartree-Fock calculations by permitting investigation
    of a number of specific features. The more extended and higher energy
    excitations of the electron associated with the exciton are studied
    and a wider range of host lattices and crystal geometries considered.
    The most important result is that the origin of the sigma (singlet)
    and pi (triplet) luminescence bands can be understood: the two bands
    derive from different orbital states, contrary to previous assumptions.
    Estimates of hyperfine constants, the sigma - pi splitting and oscillator
    strengths are also given and agree well with experiment. The results
    suggest that there should be an additional sigma -polarized band
    of the self-trapped exciton in the infrared.
    BibTeX:
    @article{SonStoHar1975,
      author = {Song, K S and Stoneham, A M and Harker, A H},
      title = {Electronic structure of the self-trapped exciton in alkali fluorides and chlorides},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1975},
      volume = {8},
      number = {8},
      pages = {1125},
      url = {http://stacks.iop.org/0022-3719/8/i=8/a=016}
    }
    					
    SonStoHar1976 Song K, S.; Stoneham, A.M. & Harker, A.H. Luminescence and electronic structure of the self-trapped exciton in alkali fluorides and chlorides 1976 Journal of Luminescence
    Vol. 12-13 , pp. 303 - 308  
    article
    Abstract: Luminescence of the self-trapped exciton in alkali halides is analysed
    on the basis of recent theoretical works. It is shown that the short-lived
    ?-band originates from an orbital state which is distinct from that
    of the much studied triplet state. Luminescence from the lowest orbital
    state consists of two components and this gives rise to the peculiar
    behaviour of the ?-band, as has been reported recently by Purdy and
    Murray for KCl.
    BibTeX:
    @article{SonStoHar1976,
      author = {Song K S and Stoneham, A M and Harker, A H},
      title = {Luminescence and electronic structure of the self-trapped exciton in alkali fluorides and chlorides},
      journal = {Journal of Luminescence},
      year = {1976},
      volume = {12-13},
      pages = {303 - 308},
      note = {Proceeding of the 1975 International Conference on Luminescence},
      url = {http://www.sciencedirect.com/science/article/pii/0022231376900971},
      doi = {https://doi.org/10.1016/0022-2313(76)90097-1}
    }
    					
    StoBloGleHar2010 Stoneham, M.; Harker, T.; Blomhert, B. & Glen, N. What Constitutes Proof: Challenges in Wind Harmony Music 2010 Interdisciplinary Science Reviews
    Vol. 35 (2) , pp. 122-137  
    article
    Abstract: Proof of authenticity is important both to scholars seeking insights
    and to investors more concerned with value. Is a ceramic 1400 years
    old? Is that music by Mozart? We seek parallels between scientific
    proof and musical authentication, focussing especially on some of
    the many opera arrangements for wind ensemble from the years c.1800.
    Such arrangements incorporate features characteristic of both arranger
    and original composer. We have developed a novel computer-based analysis
    based on numbers of rest bars in the instrumental wind parts, a simple
    but objective approach that works well in known examples. Specific
    cases analysed here were chosen both for their interest and as demanding
    tests for the method, including the divertimento containing the St
    Antoni Chorale, the Donaueschingen octet arrangement of Die
    Entf\"uhrung
    , Mozart serenades, and arrangements of sixteen operas
    for winds. Pleyel was clearly not the composer of the
    St Antoni
    divertimento, as often asserted.
    BibTeX:
    @article{StoBloGleHar2010,
      author = {Stoneham, Marshall and Harker, Tony and Blomhert, Bastiaan and Glen, Nessa},
      title = {What Constitutes Proof: Challenges in Wind Harmony Music},
      journal = {Interdisciplinary Science Reviews},
      year = {2010},
      volume = {35},
      number = {2},
      pages = {122-137},
      doi = {https://doi.org/10.1179/030801810X12723585301075}
    }
    					
    StoHar1975a Stoneham, A.M. & Harker, A.H. Self-Consistent Calculations for Shallow Defects in Semiconductors I Bound Excitons 1975 Journal of Physics C: Solid State Physics
    Vol. 8 , pp. 1102-1108  
    article
    Abstract: Shallow defects in semiconductors are of major importance, both scientifically
    and technologically. These include donors, acceptors, isoelectronic
    impurities and various clusters, and may involve trapped carriers
    or bound excitons. Hopfield provided the key to understanding the
    more complicated defects by stressing their relation to atomic and
    molecular systems. The authors have developed a general computer
    program, SEMELE to exploit this relation further. SEMELE provides
    a systematic and straightforward way of performing self-consistent
    calculations on shallow defects and is particularly suited to donor-acceptor
    pair and related systems. The main assumptions are discussed, together
    with the various ways of treating central-cell corrections. Results
    are given for excitons bound to neutral donors in GaP.
    BibTeX:
    @article{StoHar1975a,
      author = {Stoneham, A M and Harker, A H},
      title = {Self-Consistent Calculations for Shallow Defects in Semiconductors I Bound Excitons},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1975},
      volume = {8},
      pages = {1102-1108}
    }
    					
    StoHar1975b Stoneham, A.M. & Harker, A.H. Self-Consistent Calculations for Shallow Defects in Semiconductors II. Donor-acceptor pairs 1975 Journal of Physics C: Solid State Physics
    Vol. 8 , pp. 1109-1118  
    article
    Abstract: A general method has been developed for performing self-consistent
    calculations for shallow defects or defect complexes in semiconductors.
    Results are given here for donoracceptor pairs in GaP and a comaprison
    is made of the various treatments of central-cell corrections and
    the effects arising from the overlap of the donor and acceptor wavefunctions.
    Whilst no detailed refitting of host parameters is attempted, it
    seems likely that the current estimate of the bandgap (2.339 eV)
    is too large, and the latest estimates of the dielectric constant
    may also be inaccurate.
    BibTeX:
    @article{StoHar1975b,
      author = {Stoneham, A M and Harker, A H},
      title = {Self-Consistent Calculations for Shallow Defects in Semiconductors II. Donor-acceptor pairs},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1975},
      volume = {8},
      pages = {1109-1118}
    }
    					
    StoHar1982 Stoneham, A.M. & Harker, A.H. Purely Elastic Contributions to Friction 1982 Wear
    Vol. 80 (3) , pp. 377-380  
    article
    BibTeX:
    @article{StoHar1982,
      author = {Stoneham, A M and Harker, A H},
      title = {Purely Elastic Contributions to Friction},
      journal = {Wear},
      year = {1982},
      volume = {80},
      number = {3},
      pages = {377-380}
    }
    					
    StoHarHar1996 Stoneham, A.M.; Harding, J.H. & Harker, A.H. The shell model and interatomic potentials for ceramics 1996 Materials Research Society Bulletin
    Vol. 21 (2) , pp. 29-35  
    article
    BibTeX:
    @article{StoHarHar1996,
      author = {Stoneham, A M and Harding, J H and Harker, A H},
      title = {The shell model and interatomic potentials for ceramics},
      journal = {Materials Research Society Bulletin},
      year = {1996},
      volume = {21},
      number = {2},
      pages = {29-35}
    }
    					
    StoHarMor2009 Stoneham, A.M.; Harker, A.H. & Morley, G.W. Could one make a diamond-based quantum computer? 2009 Journal of Physics: Condensed Matter
    Vol. 21 (36) , pp. 364222 (10pp)  
    article
    Abstract: We assess routes to a diamond-based quantum computer, where we specifically
    look towards scalable devices, with at least 10 linked quantum gates.
    Such a computer should satisfy the deVincenzo rules and might be
    used at convenient temperatures. The specific examples that we examine
    are based on the optical control of electron spins. For some such
    devices, nuclear spins give additional advantages. Since there have
    already been demonstrations of basic initialization and readout,
    our emphasis is on routes to two-qubit quantum gate operations and
    the linking of perhaps 10-20 such gates. We analyse the dopant properties
    necessary, especially centres containing N and P, and give results
    using simple scoping calculations for the key interactions determining
    gate performance. Our conclusions are cautiously optimistic: it may
    be possible to develop a useful quantum information processor that
    works above cryogenic temperatures.
    BibTeX:
    @article{StoHarMor2009,
      author = {Stoneham, A Marshall and Harker, A H and Morley, Gavin W},
      title = {Could one make a diamond-based quantum computer?},
      journal = {Journal of Physics: Condensed Matter},
      year = {2009},
      volume = {21},
      number = {36},
      pages = {364222 (10pp)},
      url = {http://stacks.iop.org/0953-8984/21/364222}
    }
    					
    VaiHarHarSau1984 Vail, J.M.; Harker, A.H.; Harding, J.H. & Saul, P. Calculations for Electronic Point Defects with Self-Consistent Lattice Polarization - The rm F^+ Centre in MgO 1984 Journal of Physics C: Solid State Physics
    Vol. 17 (19) , pp. 3401-3414  
    article
    BibTeX:
    @article{VaiHarHarSau1984,
      author = {Vail, J M and Harker, A H and Harding, J H and Saul, P},
      title = {Calculations for Electronic Point Defects with Self-Consistent Lattice Polarization -- The rm F^+ Centre in MgO},
      journal = {Journal of Physics C: Solid State Physics},
      year = {1984},
      volume = {17},
      number = {19},
      pages = {3401-3414},
      note = {ICECAP}
    }
    					
    VaiPanHar1987 Vail, J.M.; Pandey, R. & Harker, A.H. Simulation of F-Type Centres Using Hartree-Fock Clusters 1987 Crystal Lattice Defects and Amorphous Materials
    Vol. 15 (1-4) , pp. 13-17  
    article
    BibTeX:
    @article{VaiPanHar1987,
      author = {Vail, J M and Pandey, R and Harker, A H},
      title = {Simulation of F-Type Centres Using Hartree-Fock Clusters},
      journal = {Crystal Lattice Defects and Amorphous Materials},
      year = {1987},
      volume = {15},
      number = {1-4},
      pages = {13-17},
      note = {ICECAP}
    }
    					
    WuKerHarFis2008 Wu, W.; Kerridge, A.; Harker, A.H. & Fisher, A.J. Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc 2008 Physical Review Review B
    Vol. 77 (18) , pp. 184403 (1-12)  
    article
    Abstract: We study exchange couplings in the organic magnets copper(II) phthalocyanine
    [Cu(II)Pc] and manganese(II) phthalocyanine [Mn(II)Pc] by a combination
    of Green's function perturbation theory and ab initio density-functional
    theory (DFT). Based on the indirect exchange model, our perturbation-theory
    calculation of Cu(II)Pc qualitatively agrees with the experimental
    observations. DFT calculations performed on Cu(II)Pc dimer show a
    very good quantitative agreement with exchange couplings that our
    theoretical group extracts by using a global fitting for the magnetization
    measurements to a spin-1/2 Bonner-Fisher model. These two methods
    give us remarkably consistent trends for the exchange couplings in
    Cu(II)Pc when changing the stacking angles. The situation is more
    complex for Mn(II)Pc owing to the competition between superexchange
    and indirect exchange.
    BibTeX:
    @article{WuKerHarFis2008,
      author = {Wu, Wei and Kerridge, A and Harker, A H and Fisher, A J},
      title = {Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc},
      journal = {Physical Review Review B},
      year = {2008},
      volume = {77},
      number = {18},
      pages = {184403 (1-12)},
      doi = {https://doi.org/10.1103/PhysRevB.77.184403}
    }
    					
    ZhaShaHarParEdi2018 Zhang, Y.; Shams, T.; Harker, A.H.; Parhizkar, M. & Edirisinghe, M. Effect of copolymer composition on particle morphology and release behavior in vitro using progesterone. 2018 Materials & Design
    Vol. 159, , pp. 57-67  
    article
    BibTeX:
    @article{ZhaShaHarParEdi2018,
      author = {Zhang, Y and Shams, T and Harker, A H and Parhizkar, M and Edirisinghe, M},
      title = {Effect of copolymer composition on particle morphology and release behavior in vitro using progesterone.},
      journal = {Materials & Design},
      year = {2018},
      volume = {159,},
      pages = {57-67},
      doi = {https://doi.org/10.1016/j.matdes.2018.08.024}
    }
    					
    Har1988 Harker, A.H. Elastic Waves in Solids, with applications to nondestructive testing of pipelines 1988   book
    BibTeX:
    @book{Har1988,
      author = {Harker, A H},
      title = {Elastic Waves in Solids, with applications to nondestructive testing of pipelines},
      publisher = {Adam Hilger},
      year = {1988}
    }
    					
    doi:10.1080/00107519008213790 Harker Book reviews 1990 Contemporary Physics
    Vol. 31 (6) , pp. 405-424  
    bookreview
    BibTeX:
    @bookreview{doi:10.1080/00107519008213790,
      author = {Harker},
      title = {Book reviews},
      journal = {Contemporary Physics},
      year = {1990},
      volume = {31},
      number = {6},
      pages = {405-424},
      url = { http://dx.doi.org/10.1080/00107519008213790
    
    }, doi = {https://doi.org/10.1080/00107519008213790} }
    doi:10.1080/00107519208219539 Harker Book reviews 1992 Contemporary Physics
    Vol. 33 (2) , pp. 137-159  
    bookreview
    BibTeX:
    @bookreview{doi:10.1080/00107519208219539,
      author = {Harker},
      title = {Book reviews},
      journal = {Contemporary Physics},
      year = {1992},
      volume = {33},
      number = {2},
      pages = {137-159},
      url = { http://dx.doi.org/10.1080/00107519208219539
    
    }, doi = {https://doi.org/10.1080/00107519208219539} }
    doi:10.1080/00107519308213822 Harker Book reviews 1993 Contemporary Physics
    Vol. 34 (4) , pp. 215-232  
    bookreview
    BibTeX:
    @bookreview{doi:10.1080/00107519308213822,
      author = {Harker},
      title = {Book reviews},
      journal = {Contemporary Physics},
      year = {1993},
      volume = {34},
      number = {4},
      pages = {215-232},
      url = { http://dx.doi.org/10.1080/00107519308213822
    
    }, doi = {https://doi.org/10.1080/00107519308213822} }
    doi:10.1080/00107519308222088 Harker Book review 1993 Contemporary Physics
    Vol. 34 (5) , pp. 281-294  
    bookreview
    BibTeX:
    @bookreview{doi:10.1080/00107519308222088,
      author = {Harker},
      title = {Book review},
      journal = {Contemporary Physics},
      year = {1993},
      volume = {34},
      number = {5},
      pages = {281-294},
      url = { http://dx.doi.org/10.1080/00107519308222088
    
    }, doi = {https://doi.org/10.1080/00107519308222088} }
    doi:10.1080/00107519408217496 Harker Book reviews 1994 Contemporary Physics
    Vol. 35 (1) , pp. 45-72  
    bookreview
    BibTeX:
    @bookreview{doi:10.1080/00107519408217496,
      author = {Harker},
      title = {Book reviews},
      journal = {Contemporary Physics},
      year = {1994},
      volume = {35},
      number = {1},
      pages = {45-72},
      url = { http://dx.doi.org/10.1080/00107519408217496
    
    }, doi = {https://doi.org/10.1080/00107519408217496} }
    doi:10.1080/00107519608217539 Harker Book reviews 1996 Contemporary Physics
    Vol. 37 (6) , pp. 479-499  
    bookreview
    BibTeX:
    @bookreview{doi:10.1080/00107519608217539,
      author = {Harker},
      title = {Book reviews},
      journal = {Contemporary Physics},
      year = {1996},
      volume = {37},
      number = {6},
      pages = {479-499},
      url = { http://dx.doi.org/10.1080/00107519608217539
    
    }, doi = {https://doi.org/10.1080/00107519608217539} }
    Har1996 Harker, A.H. Computer algebra 1996 Contemporary Physics
    Vol. 37 (2) , pp. 155-157  
    bookreview
    BibTeX:
    @bookreview{Har1996,
      author = {Harker , A H},
      title = {Computer algebra},
      journal = {Contemporary Physics},
      year = {1996},
      volume = {37},
      number = {2},
      pages = {155-157},
      url = { http://dx.doi.org/10.1080/00107519608230342
    
    }, doi = {https://doi.org/10.1080/00107519608230342} }
    Har1997a Harker Classical Mechanics With Maple By R. L. Green 1997 Contemporary Physics
    Vol. 38 (6) , pp. 433  
    bookreview
    BibTeX:
    @bookreview{Har1997a,
      author = {Harker},
      title = {Classical Mechanics With Maple By R. L. Green},
      journal = {Contemporary Physics},
      year = {1997},
      volume = {38},
      number = {6},
      pages = {433},
      note = {Classical Mechanics with Maple By R. L. GREEN 1995, DM48×00 (pbk), pp. ix + 173. Springer-Verlag, ISBN 0 387 94512 1. Scope: supplementary text. Level: undergraduate},
      url = { http://dx.doi.org/10.1080/001075197182243
    
    }, doi = {https://doi.org/10.1080/001075197182243} }
    Har1998 Harker The Beginner's Guide to Mathematica Version 3 by J Glynn and T Gray 1998 Contemporary Physics
    Vol. ? (?) , pp. 91  
    bookreview
    BibTeX:
    @bookreview{Har1998,
      author = {Harker},
      title = {The Beginner's Guide to Mathematica Version 3 by J Glynn and T Gray},
      journal = {Contemporary Physics},
      year = {1998},
      volume = {?},
      number = {?},
      pages = {91}
    }
    					
    Har1999 Harker Fatigue Of Materials: Second Edition by S. Suresh 1999 Contemporary Physics
    Vol. 40 (6) , pp. 441-442  
    bookreview
    BibTeX:
    @bookreview{Har1999,
      author = {Harker},
      title = {Fatigue Of Materials: Second Edition by S. Suresh},
      journal = {Contemporary Physics},
      year = {1999},
      volume = {40},
      number = {6},
      pages = {441-442},
      note = {Fatigue of Materials: Secon d Edition By S. SURESH 1998, £75.00 (hbk ), £27.95 (pbk ), pp. xxi+ 679. Cambridge University Press, ISBN 0 521 57046 8 (hbk ), ISBN 0 521 57847 (pbk ). Scope: text. Level: postgraduate and specialist.},
      url = { http://dx.doi.org/10.1080/001075199181323
    
    }, doi = {https://doi.org/10.1080/001075199181323} }
    Har2001 Harker, A.H. Diffusion in Solids. Field Theory, Solid-State Principles, and Applications 2001 Contemporary Physics
    Vol. 42 (1) , pp. 66-67  
    bookreview harker
    BibTeX:
    @bookreview{Har2001,
      author = {Harker, A H},
      title = {Diffusion in Solids. Field Theory, Solid-State Principles, and Applications},
      journal = {Contemporary Physics},
      year = {2001},
      volume = {42},
      number = {1},
      pages = {66-67},
      note = {Diffusion in Solids. Field Theory, Solid-State Principles, and Applications By M. E. GLICKSMAN Wiley. 1999, £58.50 (hbk) , pp. xx+ 472. ISBN 0 471 23972 0. Scope: monograph. Level: specialist.},
      doi = {https://doi.org/10.1080/00107510010007521}
    }
    					
    Har2002 Harker Mathematical Modelling in Continuum Mechanics by R. Teman And A. Miranville 2002 Contemporary Physics
    Vol. 43 (1) , pp. 33  
    bookreview
    BibTeX:
    @bookreview{Har2002,
      author = {Harker},
      title = {Mathematical Modelling in Continuum Mechanics by R. Teman And A. Miranville},
      journal = {Contemporary Physics},
      year = {2002},
      volume = {43},
      number = {1},
      pages = {33},
      note = {Mathematical Modelling in Continuum Mechanics By R. TEMAN and A. MIRANVILLE 2001, £54.95 (hbk), pp. xiii+290. Cambridge University Press, ISBN 0 521 64362 7. Scope: text. Level: postgraduate.},
      url = { http://dx.doi.org/10.1080/00107510110084714
    
    }, doi = {https://doi.org/10.1080/00107510110084714} }
    Har2003 Harker, A.H. The Formation and Logic of Quantum Mechanics 2003 Contemporary Physics
    Vol. 44 (1) , pp. 86-87  
    bookreview harker
    BibTeX:
    @bookreview{Har2003,
      author = {Harker, A H},
      title = {The Formation and Logic of Quantum Mechanics},
      journal = {Contemporary Physics},
      year = {2003},
      volume = {44},
      number = {1},
      pages = {86-87},
      note = {The Formation and Logic of Quantum Mechanics. Volume I: The Formation of the Atomic Models By M. TAKETANI 2001, £125.00 (hbk), pp. xv+249. World Scienti®c, ISBN 981 02 4970 5 (vol. 1), 981 02 4601 3 (set). Scope: monograph. Level: postgraduate and specialist. The Formation and Logic of Quantum Mechanics. Volume II: The Way to Quantum Mechanics By M. TAKETANI and M. NAGASAKI 2001, £125.00 (hbk), pp. xvi+286. World Scienti®c, ISBN 981 02 4971 3 (vol. II), 981 02 4601 3 (set). Scope: Monograph. Level: Postgraduate and Specialist. The Formation and Logic of Quantum Mechanics. Volume III: The Establishment and Logic of Quantum Mechanics By M. TAKETANI and M. NAGASAKI 2001, £125.00 (hbk), pp. xxiii+320. World Scienti®c, ISBN 981 02 4972 1 (vol. III), 981 02 4601 3 (set). Scope: Monograph. Level: Postgraduate and Specialist.},
      doi = {https://doi.org/10.1080/00107510302716}
    }
    					
    Har2003a Harker Numerical Recipes In C++. The Art of Scientificc Computing, Second Edition by W. H. Press, S. A. Teukoisky, W. T. Vetterling and B. P. Flannery 2003 Contemporary Physics
    Vol. 44 (2) , pp. 176-177  
    bookreview
    BibTeX:
    @bookreview{Har2003a,
      author = {Harker},
      title = {Numerical Recipes In C++. The Art of Scientificc Computing, Second Edition by W. H. Press, S. A. Teukoisky, W. T. Vetterling and B. P. Flannery},
      journal = {Contemporary Physics},
      year = {2003},
      volume = {44},
      number = {2},
      pages = {176-177},
      note = {Numerical Recipes in C++. The Art of Scienti®c Computing, second edition By W. H. PRESS, S. A. TEUKOISKY, W. T. VETTERLING and B. P. FLANNERY 2002, £45.00, US$70.00 (hbk), pp. xxviii+1002. Cam- bridge University Press, ISBN 0 521 75033 4. Scope: text- book. Level: postgraduate.},
      url = { http://dx.doi.org/10.1080/0010751031000095125
    
    }, doi = {https://doi.org/10.1080/0010751031000095125} }
    Har2003b Harker General Physics Problem Solving with CAS DERIVE By L. Magiera 2003 Contemporary Physics
    Vol. 44 (4) , pp. 370-371  
    bookreview
    BibTeX:
    @bookreview{Har2003b,
      author = {Harker},
      title = {General Physics Problem Solving with CAS DERIVE By L. Magiera},
      journal = {Contemporary Physics},
      year = {2003},
      volume = {44},
      number = {4},
      pages = {370-371},
      note = {General Physics Problem Solving with CAS DERIVE By L. MAGIERA 2001, US$89.00 (hbk), pp. x+251. Nova Science, ISBN 1 59033 057 9. Scope: textbook. Level: undergraduate.},
      url = { http://dx.doi.org/10.1080/0951192031000135977
    
    }, doi = {https://doi.org/10.1080/0951192031000135977} }
    Har2003c Harker Mathematical Modelling. Case Studies From Industry By E. Cumberbatch And A. Fitt 2003 Contemporary Physics
    Vol. 44 (2) , pp. 173  
    bookreview
    BibTeX:
    @bookreview{Har2003c,
      author = {Harker},
      title = {Mathematical Modelling. Case Studies From Industry By E. Cumberbatch And A. Fitt},
      journal = {Contemporary Physics},
      year = {2003},
      volume = {44},
      number = {2},
      pages = {173},
      note = {Mathematical Modelling. Case Studies from Industry By E. CUMBERBATCH and A. FITT 2001, £23.95, US34.95 (pbk), £65.00, US95.00 (hbk), pp. xx+299. Cambridge University Press, ISBN 0 521 01173 6 (pbk), ISBN 0 521 65007 0 (hbk). Scope: multi-author review. Level: postgraduate and specialist.},
      url = { http://dx.doi.org/10.1080/0010751031000095125
    
    }, doi = {https://doi.org/10.1080/0010751031000095125} }
    Har2005a Harker A Celebration of Mathematical Modeling. The Joseph B. Keller Anniversary Volume, edited by D. Givoli, M.J. Grote and G.C. Papanicolaou 2005 Contemporary Physics
    Vol. 46 (2) , pp. 141  
    bookreview
    BibTeX:
    @bookreview{Har2005a,
      author = {Harker},
      title = {A Celebration of Mathematical Modeling. The Joseph B. Keller Anniversary Volume, edited by D. Givoli, M.J. Grote and G.C. Papanicolaou},
      journal = {Contemporary Physics},
      year = {2005},
      volume = {46},
      number = {2},
      pages = {141},
      note = {A Celebration of Mathematical Modeling. The Joseph B. Keller Anniversary Volume, edited by D. Givoli, M.J. Grote and G.C. Papanicolaou, Kluwer Academic Publishers, Dordrecht, 2004, pp. xxxix + 241, £97.00, $US154.00, hardback (ISBN 1 4020 1842 8). Scope: multi-author review. Level: postgraduate and specialist.},
      url = { http://dx.doi.org/10.1080/00107510512331323625
    
    }, doi = {https://doi.org/10.1080/00107510512331323625} }
    Har2005b Harker Simulating Hamiltonian Dynamics by B. Leimkuhler and S. Reich 2005 Contemporary Physics
    Vol. 46 (6) , pp. 465  
    bookreview
    BibTeX:
    @bookreview{Har2005b,
      author = {Harker},
      title = {Simulating Hamiltonian Dynamics by B. Leimkuhler and S. Reich},
      journal = {Contemporary Physics},
      year = {2005},
      volume = {46},
      number = {6},
      pages = {465},
      note = {Simulating Hamiltonian Dynamics, in the series Cambridge Monographs on Applied and Computational Mathematics, by B. Leimkuhler and S. Reich, Cambridge University Press, Cambridge, 2005, pp. xviþ 379, £45.00, US$75.00, hardback (ISBN 0 521 77290 7). Scope: monograph. Level: postgraduate.},
      url = { http://dx.doi.org/10.1080/00107510500361290
    
    }, doi = {https://doi.org/10.1080/00107510500361290} }
    Har2008 Harker Electronic structure calculations for solids and molecules: theory and computational methods, by J. Kohanoff 2008 Contemporary Physics
    Vol. 49 (1) , pp. 59  
    bookreview
    BibTeX:
    @bookreview{Har2008,
      author = {Harker},
      title = {Electronic structure calculations for solids and molecules: theory and computational methods, by J. Kohanoff},
      journal = {Contemporary Physics},
      year = {2008},
      volume = {49},
      number = {1},
      pages = {59},
      note = {Electronic structure calculations for solids and molecules: theory and computational methods, by J. Kohanoff, Cambridge, Cambridge University Press, 2006, 370 pp., £41.99 (hardback), (ISBN-13 978 0 521 81591 8; ISBN-10 0 521 81591 6). Scope: textbook/reference. Level: graduates},
      url = { http://dx.doi.org/10.1080/00107510701731747
    
    }, doi = {https://doi.org/10.1080/00107510701731747} }
    Har2008a Harker Tribology on the Small Scale: A Bottom Up Approach to Friction, Lubrication and Wear, by C.M. Mate 2008 Contemporary Physics
    Vol. 49 (6) , pp. 465  
    bookreview
    BibTeX:
    @bookreview{Har2008a,
      author = {Harker},
      title = {Tribology on the Small Scale: A Bottom Up Approach to Friction, Lubrication and Wear, by C.M. Mate},
      journal = {Contemporary Physics},
      year = {2008},
      volume = {49},
      number = {6},
      pages = {465},
      note = {Tribology on the Small Scale: A Bottom Up Approach to Friction, Lubrication and Wear, by C.M. Mate, Oxford, Oxford University Press, 2008, 400 pp., £55.00 (hardback), ISBN 978 0 19 852678 0. Scope: monograph. Level: postgraduate and researcher.},
      url = { http://www.tandfonline.com/doi/abs/10.1080/00107510802631242
    
    }, doi = {https://doi.org/10.1080/00107510802631242} }
    Har2008b Harker Elasticity with Mathematica: An Introduction to Continuum Mechanics and Linear Elasticity, by A. Constantinescu and A. Korsunsky 2008 Contemporary Physics
    Vol. 49 (6) , pp. 455  
    bookreview
    BibTeX:
    @bookreview{Har2008b,
      author = {Harker},
      title = {Elasticity with Mathematica: An Introduction to Continuum Mechanics and Linear Elasticity, by A. Constantinescu and A. Korsunsky},
      journal = {Contemporary Physics},
      year = {2008},
      volume = {49},
      number = {6},
      pages = {455},
      note = {Elasticity with Mathematica: An Introduction to Continuum Mechanics and Linear Elasticity, by A. Constantinescu and A. Korsunsky, Cambridge, Cambridge University Press, 2007, 26 pp., £60.00 (hardback), ISBN 978 0 521 84201 3. Scope: textbook. Level: postgraduate.},
      url = { http://www.tandfonline.com/doi/abs/10.1080/00107510802631242
    
    }, doi = {https://doi.org/10.1080/00107510802631242} }
    Har2010 Harker, A.H. Physics and Applications of Negative Refractive Index Materials, by S. Anantha Ramakrishna and T.M. Grzegorczyk 2010 Contemporary Physics
    Vol. 51 (4) , pp. 373-374  
    bookreview
    BibTeX:
    @bookreview{Har2010,
      author = {Harker, A H },
      title = {Physics and Applications of Negative Refractive Index Materials, by S. Anantha Ramakrishna and T.M. Grzegorczyk},
      journal = {Contemporary Physics},
      year = {2010},
      volume = {51},
      number = {4},
      pages = {373-374},
      url = { http://dx.doi.org/10.1080/00107510903257459
    
    }, doi = {https://doi.org/10.1080/00107510903257459} }
    Har2011 Harker, A.H. Concepts of Nanochemistry, by Ludovico Cademartiri and Geoffrey A. Ozin 2011 Contemporary Physics
    Vol. 52 (2) , pp. 162-162  
    bookreview
    BibTeX:
    @bookreview{Har2011,
      author = {Harker, A H},
      title = {Concepts of Nanochemistry, by Ludovico Cademartiri and Geoffrey A. Ozin},
      journal = {Contemporary Physics},
      year = {2011},
      volume = {52},
      number = {2},
      pages = {162-162},
      url = { http://dx.doi.org/10.1080/00107514.2010.537771
    
    }, doi = {https://doi.org/10.1080/00107514.2010.537771} }
    Har2011a Harker, A.H. Statistical and Thermal Physics with Computer Applications, by Harvey Gould and Jan Tobochnik 2011 Contemporary Physics
    Vol. 52 (5) , pp. 492-493  
    bookreview
    BibTeX:
    @bookreview{Har2011a,
      author = {Harker, A H},
      title = {Statistical and Thermal Physics with Computer Applications, by Harvey Gould and Jan Tobochnik},
      journal = {Contemporary Physics},
      year = {2011},
      volume = {52},
      number = {5},
      pages = {492-493},
      url = { http://dx.doi.org/10.1080/00107514.2011.580376
    
    }, doi = {https://doi.org/10.1080/00107514.2011.580376} }
    Har2012 Harker, A.H. Numerical Modeling in Materials Science and Engineering, Springer Series in Computational Mathematics, Vol. 32, by M. Rappaz, M. Bellet, and M. Deville, translated by R. Snyder 2012 Contemporary Physics
    Vol. 53 (3) , pp. 280-281  
    bookreview
    BibTeX:
    @bookreview{Har2012,
      author = {Harker, A H},
      title = {Numerical Modeling in Materials Science and Engineering, Springer Series in Computational Mathematics, Vol. 32, by M. Rappaz, M. Bellet, and M. Deville, translated by R. Snyder},
      journal = {Contemporary Physics},
      year = {2012},
      volume = {53},
      number = {3},
      pages = {280-281},
      url = { http://dx.doi.org/10.1080/00107514.2012.661784
    
    }, doi = {https://doi.org/10.1080/00107514.2012.661784} }
    Har2012a Harker, A.H. Nanocomputing: Computational Physics for Nanoscience and Nanotechnology, by James J.Y. Hsu 2012 Contemporary Physics
    Vol. 53 (3) , pp. 265-266  
    bookreview
    BibTeX:
    @bookreview{Har2012a,
      author = {Harker, A H},
      title = {Nanocomputing: Computational Physics for Nanoscience and Nanotechnology, by James J.Y. Hsu},
      journal = {Contemporary Physics},
      year = {2012},
      volume = {53},
      number = {3},
      pages = {265-266},
      url = { http://dx.doi.org/10.1080/00107514.2012.657691
    
    }, doi = {https://doi.org/10.1080/00107514.2012.657691} }
    Har2012b Harker, A.H. Wavefronts and Rays as Characteristics and Asymptotics, by A. Bóna and M.A. Slawinski 2012 Contemporary Physics
    Vol. 53 (3) , pp. 265-265  
    bookreview
    BibTeX:
    @bookreview{Har2012b,
      author = {Harker, A H},
      title = {Wavefronts and Rays as Characteristics and Asymptotics, by A. Bóna and M.A. Slawinski},
      journal = {Contemporary Physics},
      year = {2012},
      volume = {53},
      number = {3},
      pages = {265-265},
      url = { http://dx.doi.org/10.1080/00107514.2012.657690
    
    }, doi = {https://doi.org/10.1080/00107514.2012.657690} }
    Har2013 Harker, A.H. Computational Methods for Electromagnetic Phenomena: Electrostatics in Solvation, Scattering and Electron Transport, by Cai Wei 2013 Contemporary Physics
    Vol. 54 (5) , pp. 263-264  
    bookreview
    BibTeX:
    @bookreview{Har2013,
      author = {AH Harker},
      title = {Computational Methods for Electromagnetic Phenomena: Electrostatics in Solvation, Scattering and Electron Transport, by Cai Wei},
      journal = {Contemporary Physics},
      year = {2013},
      volume = {54},
      number = {5},
      pages = {263-264},
      url = { http://dx.doi.org/10.1080/00107514.2013.836571
    
    }, doi = {https://doi.org/10.1080/00107514.2013.836571} }
    Har2013a Harker, A.H. Time-Dependent Density-Functional Theory: Concepts and Applications, by Carsten A. Ullrich 2013 Contemporary Physics
    Vol. 54 (1) , pp. 55-56  
    bookreview
    BibTeX:
    @bookreview{Har2013a,
      author = {Harker, A H},
      title = {Time-Dependent Density-Functional Theory: Concepts and Applications, by Carsten A. Ullrich},
      journal = {Contemporary Physics},
      year = {2013},
      volume = {54},
      number = {1},
      pages = {55-56},
      url = { http://dx.doi.org/10.1080/00107514.2012.739657
    
    }, doi = {https://doi.org/10.1080/00107514.2012.739657} }
    Har2014 Harker, A.H. Phase Transitions: Modern Applications (2nd edition), by Moshe Gitterman 2014 Contemporary Physics
    Vol. 55 (4) , pp. 355-356  
    bookreview harker
    BibTeX:
    @bookreview{Har2014,
      author = {Harker, A H},
      title = {Phase Transitions: Modern Applications (2nd edition), by Moshe Gitterman},
      journal = {Contemporary Physics},
      year = {2014},
      volume = {55},
      number = {4},
      pages = {355-356},
      url = { http://dx.doi.org/10.1080/00107514.2014.948928
    
    }, doi = {https://doi.org/10.1080/00107514.2014.948928} }
    Har2014a Harker, A.H. Understanding the Nanotechnology Revolution, by Edward L. Wolf and Manasa Medikonda 2014 Contemporary Physics
    Vol. 55 (2) , pp. 122-122  
    bookreview
    BibTeX:
    @bookreview{Har2014a,
      author = {AH Harker},
      title = {Understanding the Nanotechnology Revolution, by Edward L. Wolf and Manasa Medikonda},
      journal = {Contemporary Physics},
      year = {2014},
      volume = {55},
      number = {2},
      pages = {122-122},
      url = { http://dx.doi.org/10.1080/00107514.2013.877522
    
    }, doi = {https://doi.org/10.1080/00107514.2013.877522} }
    Har2014b Harker, A.H. Graphene: A New Paradigm in Condensed Matter and Device Physics, by E.L. Wolf 2014 Contemporary Physics
    Vol. 55 (4) , pp. 355-355  
    bookreview
    BibTeX:
    @bookreview{Har2014b,
      author = {Harker, A H},
      title = {Graphene: A New Paradigm in Condensed Matter and Device Physics, by E.L. Wolf},
      journal = {Contemporary Physics},
      year = {2014},
      volume = {55},
      number = {4},
      pages = {355-355},
      url = { http://dx.doi.org/10.1080/00107514.2014.948926
    
    }, doi = {https://doi.org/10.1080/00107514.2014.948926} }
    Har2014c Harker, A.H. Computational Methods for Physics, by Joel Franklin 2014 Contemporary Physics
    Vol. 55 (2) , pp. 125-125  
    bookreview
    BibTeX:
    @bookreview{Har2014c,
      author = {Harker, A H},
      title = {Computational Methods for Physics, by Joel Franklin},
      journal = {Contemporary Physics},
      year = {2014},
      volume = {55},
      number = {2},
      pages = {125-125},
      url = { http://dx.doi.org/10.1080/00107514.2013.877525
    
    }, doi = {https://doi.org/10.1080/00107514.2013.877525} }
    Har2015 Harker, A.H. Nonlinear Science: An Interactive Mathematica Notebook, by David K. Campbell, Sebastian M. Marotta and Thomas A. Tanury 2015 Contemporary Physics
    Vol. 56 (2) , pp. 236-237  
    bookreview
    BibTeX:
    @bookreview{Har2015,
      author = {Harker, A H},
      title = {Nonlinear Science: An Interactive Mathematica Notebook, by David K. Campbell, Sebastian M. Marotta and Thomas A. Tanury},
      journal = {Contemporary Physics},
      year = {2015},
      volume = {56},
      number = {2},
      pages = {236-237},
      url = { http://dx.doi.org/10.1080/00107514.2014.988178
    
    }, doi = {https://doi.org/10.1080/00107514.2014.988178} }
    Har2015a Harker, A.H. Symmetry of Crystals and Molecules, by Mark Ladd 2015 Contemporary Physics
    Vol. 56 (2) , pp. 237-238  
    bookreview
    BibTeX:
    @bookreview{Har2015a,
      author = {Harker, A H},
      title = {Symmetry of Crystals and Molecules, by Mark Ladd},
      journal = {Contemporary Physics},
      year = {2015},
      volume = {56},
      number = {2},
      pages = {237-238},
      url = { http://dx.doi.org/10.1080/00107514.2014.988180
    
    }, doi = {https://doi.org/10.1080/00107514.2014.988180} }
    Har2016 Harker, A.H. Semiconductors: Bonds and Bands, by David K. Ferry 2016 Contemporary Physics
    Vol. 57 (1) , pp. 141-141  
    bookreview
    BibTeX:
    @bookreview{Har2016,
      author = {Harker, A H},
      title = {Semiconductors: Bonds and Bands, by David K. Ferry},
      journal = {Contemporary Physics},
      year = {2016},
      volume = {57},
      number = {1},
      pages = {141-141},
      url = { http://dx.doi.org/10.1080/00107514.2015.1100219
    
    }, doi = {https://doi.org/10.1080/00107514.2015.1100219} }
    Har2016a Harker, A.H. Materials Modelling using Density Functional Theory: Properties and Predictions, by Giustino Feliciano 2016 Contemporary Physics
    Vol. 57 (1) , pp. 140-141  
    bookreview
    BibTeX:
    @bookreview{Har2016a,
      author = {Harker, A H},
      title = {Materials Modelling using Density Functional Theory: Properties and Predictions, by Giustino Feliciano},
      journal = {Contemporary Physics},
      year = {2016},
      volume = {57},
      number = {1},
      pages = {140-141},
      url = { http://dx.doi.org/10.1080/00107514.2015.1100218
    
    }, doi = {https://doi.org/10.1080/00107514.2015.1100218} }
    Har2016b Harker, A.H. Phase transitions in materials 2016 Contemporary Physics
    Vol. 57 (1) , pp. 141-142  
    bookreview
    BibTeX:
    @bookreview{Har2016b,
      author = {A H Harker},
      title = {Phase transitions in materials},
      journal = {Contemporary Physics},
      year = {2016},
      volume = {57},
      number = {1},
      pages = {141-142},
      url = { http://dx.doi.org/10.1080/00107514.2015.1111412
    
    }, doi = {https://doi.org/10.1080/00107514.2015.1111412} }
    Har2016c Harker, A.H. The basics of crystallography and diffraction, (Fourth Edition), by Christopher Hammond 2016 Contemporary Physics
    Vol. 0 (0) , pp. 1-1  
    bookreview
    BibTeX:
    @bookreview{Har2016c,
      author = {Harker, A H},
      title = {The basics of crystallography and diffraction, (Fourth Edition), by Christopher Hammond},
      journal = {Contemporary Physics},
      year = {2016},
      volume = {0},
      number = {0},
      pages = {1-1},
      url = { http://dx.doi.org/10.1080/00107514.2016.1156752
    
    }, doi = {https://doi.org/10.1080/00107514.2016.1156752} }
    Har2016d Harker, A.H. Electrical conduction in graphene and nanotubes, by Shigeji Fujita and Akira Suzuki 2016 Contemporary Physics
    Vol. 0 (0) , pp. 1-1  
    bookreview
    BibTeX:
    @bookreview{Har2016d,
      author = {Harker, A H},
      title = {Electrical conduction in graphene and nanotubes, by Shigeji Fujita and Akira Suzuki},
      journal = {Contemporary Physics},
      year = {2016},
      volume = {0},
      number = {0},
      pages = {1-1},
      url = { http://dx.doi.org/10.1080/00107514.2016.1156760
    
    }, doi = {https://doi.org/10.1080/00107514.2016.1156760} }
    Harker2003 Harker, A.H. General physics problem solving with CAS DERIVE 2003 Contemporary Physics
    Vol. 33 (4) , pp. 370-371  
    bookreview
    BibTeX:
    @bookreview{Harker2003,
      author = {Harker, A H},
      title = {General physics problem solving with CAS DERIVE},
      journal = {Contemporary Physics},
      year = {2003},
      volume = {33},
      number = {4},
      pages = {370-371},
      note = {AHH}
    }
    					
    Harker2003a Harker, A.H. Numerical Recipes in C++ 2003 Contemporary Physics (44) , pp. 176-177   bookreview
    BibTeX:
    @bookreview{Harker2003a,
      author = {Harker, A H},
      title = {Numerical Recipes in C++},
      journal = {Contemporary Physics},
      year = {2003},
      number = {44},
      pages = {176-177},
      note = {AHH}
    }
    					
    Harker2011 Harker, A.H. Understanding Solid State Physics, by Sharon Ann Holgate 2011 Contemporary Physics
    Vol. 52 (2) , pp. 169-169  
    bookreview
    BibTeX:
    @bookreview{Harker2011,
      author = {Harker, A H},
      title = {Understanding Solid State Physics, by Sharon Ann Holgate},
      journal = {Contemporary Physics},
      year = {2011},
      volume = {52},
      number = {2},
      pages = {169-169},
      url = { http://dx.doi.org/10.1080/00107514.2010.537779
    
    }, doi = {https://doi.org/10.1080/00107514.2010.537779} }
    HarHarShlSto1998 Harding, J.H.; Harker, A.H.; Shluger, A.L. & Stoneham, A.M. Tomsia, A.P. & Glaeser, A.M. (Hrsg.) Making the connection between atomistic modelling of interfaces and real materials ( Ceramic Microstructures; Control at the Atomic Level ) 1998 Ceramic Microstructures; Control at the Atomic Level , pp. 13-22   inbook
    BibTeX:
    @inbook{HarHarShlSto1998,
      author = {Harding, J H and Harker, A H and Shluger, A L and Stoneham, A M},
      title = {Ceramic Microstructures; Control at the Atomic Level},
      publisher = {Plenum N.Y.},
      year = {1998},
      pages = {13-22}
    }
    					
    HarOgiTem1990a Harker, A.H.; Ogilvy, J.A. & Temple, J.A.G. Cohen, G. (Hrsg.) Numerical Models of Elastic Wave Propagation through Inhomogeneous Anisotropic Materials in Two and Three Spatial Dimensions ( Mathematical and Numerical Aspects of Wave Propagation Phenomena ) 1990 Mathematical and Numerical Aspects of Wave Propagation Phenomena , pp. 165-183   inbook
    BibTeX:
    @inbook{HarOgiTem1990a,
      author = {Harker, A H and Ogilvy, J A and Temple, J A G},
      title = {Mathematical and Numerical Aspects of Wave Propagation Phenomena},
      publisher = {SIAM},
      year = {1990},
      pages = {165-183}
    }
    					
    HarTem1992 Harker, A.H. & Temple, J.A.G. Povey, M. & McClements, J. (Hrsg.) Propagation and attenuation of ultrasound in suspensions ( Developments in Acoustics and Ultrasonics ) 1992 Developments in Acoustics and Ultrasonics , pp. 19-31   inbook
    BibTeX:
    @inbook{HarTem1992,
      author = {Harker, A H and Temple, J A G},
      title = {Developments in Acoustics and Ultrasonics},
      publisher = {IoP Publishing},
      year = {1992},
      pages = {19-31}
    }
    					
    BenHarPerPriDes1994 Bennett, M.J.; Harker, A.H.; Perkins, R.; Price, J.B. & Desport, J.A. The oxidation behaviour of alumina forming ferritic oxide dispersion strengthened alloys 1994 Proceedings of the 1st Mexican Symposium and 2nd International Workshop on Metallic Corrosion, Merida, Yucatan, Mexico, 7-11 March 1994   inproceedings
    BibTeX:
    @inproceedings{BenHarPerPriDes1994,
      author = {Bennett, M J and Harker, A H and Perkins, R and Price, J B and Desport, J A},
      title = {The oxidation behaviour of alumina forming ferritic oxide dispersion strengthened alloys},
      booktitle = {Proceedings of the 1st Mexican Symposium and 2nd International Workshop on Metallic Corrosion, Merida, Yucatan, Mexico, 7-11 March 1994},
      year = {1994}
    }
    					
    ChoHarHarMulSmiSto1991 Choy, T.C.; Harding, J.H.; Harker, A.H.; Mulheran, P.A.; Smith, L.W. & Stoneham, A.M. Doyama, M.; Suzuki, T.; Kihara, J. & Yamamoto, R. (Hrsg.) Modelling Mesoscopic Systems 1991 Computer aided innovation of new materials (Proceedings of the first International Conference and Exhibition on Computer Applications to Materials Science and Engineering - CAMSE90 , pp. 869   inproceedings
    BibTeX:
    @inproceedings{ChoHarHarMulSmiSto1991,
      author = {Choy, T C and Harding, J H and Harker, A H and Mulheran, P A and Smith, L W and Stoneham, A M},
      title = {Modelling Mesoscopic Systems},
      booktitle = {Computer aided innovation of new materials (Proceedings of the first International Conference and Exhibition on Computer Applications to Materials Science and Engineering - CAMSE90},
      publisher = {North-Holland},
      year = {1991},
      pages = {869},
      note = {Sunshine City, Tokyo, August 28-31 1990}
    }
    					
    GriCatShlPanBaeHar1991 Grimes, R.W.; Catlow, C.R.A.; Shluger, A.L.; Pandey, R.; Baetzold, R. & Harker, A.H. Bristowe, P.D.; Epperson, J.E. & Griffith, J E snd Lilientalweber, Z. (Hrsg.) Simulating Vacancy, Impurity and Electronic Defect States in MgO, LiCl and rm La_2CuO_4 Using Quantum Cluster and Classical Lattice Simulation Techniques in a Consistent Manner 1991
    Vol. 14th International Symposium on Characterization of Defects in Materials, Boston, Ma, November 26-29, 1990 (209) Defects In Materials , pp. 257-262  
    inproceedings
    BibTeX:
    @inproceedings{GriCatShlPanBaeHar1991,
      author = {Grimes, R W and Catlow, C R A and Shluger, A L and Pandey, R and Baetzold, R and Harker, A H},
      title = {Simulating Vacancy, Impurity and Electronic Defect States in MgO, LiCl and rm La_2CuO_4 Using Quantum Cluster and Classical Lattice Simulation Techniques in a Consistent Manner},
      booktitle = {Defects In Materials},
      year = {1991},
      volume = {14th International Symposium on Characterization of Defects in Materials, Boston, Ma, November 26-29, 1990},
      number = {209},
      pages = {257-262},
      note = {ICECAP}
    }
    					
    Har1980 Harker, A.H. Quantum mechanical cluster calculations 1980 Proceedings of Daresbury Study Weekend, 9-11 May 1980   inproceedings
    BibTeX:
    @inproceedings{Har1980,
      author = {Harker, A H},
      title = {Quantum mechanical cluster calculations},
      booktitle = {Proceedings of Daresbury Study Weekend, 9-11 May 1980},
      year = {1980}
    }
    					
    Har1993 Harker, A.H. Kanert, O. & Spaeth, J.-M. (Hrsg.) Self-consistent embedded cluster calculations for defects in insulating solids 1993 Proceedings ot the International Conference on Defects in Insulating Crystals , pp. 219-234   inproceedings
    BibTeX:
    @inproceedings{Har1993,
      author = {Harker, A H},
      title = {Self-consistent embedded cluster calculations for defects in insulating solids},
      booktitle = {Proceedings ot the International Conference on Defects in Insulating Crystals},
      publisher = {World Scientific},
      year = {1993},
      pages = {219-234}
    }
    					
    Har1997 Harker, A.H. Tennyson, R.C. & Kiv, A.E. (Hrsg.) Hybrid quantum mechanical and potential model for studies in solids 1997 Computer modelling of electronic and atomic processes in solids   inproceedings
    BibTeX:
    @inproceedings{Har1997,
      author = {Harker, A H},
      title = {Hybrid quantum mechanical and potential model for studies in solids},
      booktitle = {Computer modelling of electronic and atomic processes in solids},
      publisher = {Kluwer},
      year = {1997}
    }
    					
    HarHar1998 Harding, J.H. & Harker, A.H. Bullard, J.W.; Chen, L.-Q.; Kalia, R.K. & Stoneham, A.M. (Hrsg.) Mater. Res. Soc, Warrendale, PA, USA Simulation of the growth of heterostructures 1998 Computational and Mathematical Models of Microstructural Evolution Symposium , pp. 55-64   inproceedings
    Abstract: The production and morphology of heterostructures presents problems
    at a variety of length-scales. A common problem is the production
    and accommodation of stresses in the film due to mis-match. We first
    discuss examples of atomistic nucleation and growth at interfaces
    and the use of atomistic simulations to obtain parameters for rate-theory
    models of cluster and film growth. We then consider the effect of
    stress on growing films. In strained-layer semiconductor systems,
    for example, the growth of small islands gives rise to stress distributions
    which differ strongly from those in continuous layers. Interesting
    strain effects are also observed in ceramics. We discuss the relationship
    between stress and the growth and morphology of films, where effective
    medium models may be used to derive effective bulk properties for
    films with imperfections such as porosity and cracks.
    BibTeX:
    @inproceedings{HarHar1998,
      author = {Harding, J H and Harker, A H},
      title = {Simulation of the growth of heterostructures},
      booktitle = {Computational and Mathematical Models of Microstructural Evolution Symposium},
      publisher = {Mater. Res. Soc, Warrendale, PA, USA},
      year = {1998},
      pages = {55-64},
      note = {AHH}
    }
    					
    HarSchStiTayTem1990 Harker, A.H.; Schofield, P.; Stimpson, B.P.; Taylor, R.G. & Temple, J.A.G. Thompson, D.O. & Chimenti, D.E. (Hrsg.) Ultrasound in suspensions: theory and experiment 1990
    Vol. 10A Proceedings of the Review of Progress in Quantitative Nondestructive Evaluation , pp. 169-175  
    inproceedings
    BibTeX:
    @inproceedings{HarSchStiTayTem1990,
      author = {Harker, A H and Schofield, P and Stimpson, B P and Taylor, R G and Temple, J A G},
      title = {Ultrasound in suspensions: theory and experiment},
      booktitle = {Proceedings of the Review of Progress in Quantitative Nondestructive Evaluation},
      publisher = {Plenum Press, NY},
      year = {1990},
      volume = {10A},
      pages = {169-175}
    }
    					
    ISI:A1990BT11D00074 Windsor, C.G. & Harker, A.H. Thellier, N. (Hrsg.) Multi-Variate Financial Index Prediction - A Neural Network Study 1990 International Neural Network Conference, Vols 1 and 2 , pp. 357-360   inproceedings
    BibTeX:
    @inproceedings{ISI:A1990BT11D00074,
      author = {Windsor, C G And Harker, A H},
      title = {Multi-Variate Financial Index Prediction - A Neural Network Study},
      booktitle = {International Neural Network Conference, Vols 1 and 2},
      year = {1990},
      pages = {357-360},
      note = {1990 International Neural Network Conference, Paris, France, July 09-13, 1990}
    }
    					
    ISI:A1990BU67E00029 Naish, C.C.; Harker, A. & Carney, R.F.A. Page, C.L.; Treadaway, K.W.J. & Bamforth, P.B. (Hrsg.) Concrete Inspection - Interpretation of Potential and Resistivity Measurements 1990 Corrosion of Reinforcement in Concrete , pp. 314-332   inproceedings
    BibTeX:
    @inproceedings{ISI:A1990BU67E00029,
      author = {Naish, C C and Harker, A and Carney, R F A},
      title = {Concrete Inspection - Interpretation of Potential and Resistivity Measurements},
      booktitle = {Corrosion of Reinforcement in Concrete},
      year = {1990},
      pages = {314-332},
      note = {3rd International Symposium on Corrosion of Reinforcement in Concrete Construction, Wishaw, England, May 21-24, 1990}
    }
    					
    JaiHarSto1993 Jain, S.C.; Harker, A.H. & Stoneham, A.M. Stability and performance of rm Ge_x Si_1-x heterostructure bipolar devices 1993 Proceedings of the VIIth International Workshop on the Physics of Semiconductor Devices, New Delhi, December 1993   inproceedings
    BibTeX:
    @inproceedings{JaiHarSto1993,
      author = {Jain, S C and Harker, A H and Stoneham, A M},
      title = {Stability and performance of rm Ge_x Si_1-x heterostructure bipolar devices},
      booktitle = {Proceedings of the VIIth International Workshop on the Physics of Semiconductor Devices, New Delhi, December 1993},
      year = {1993}
    }
    					
    JaiHarSto1993a Jain, S.C.; Harker, A.H. & Stoneham, A.M. Predicting the density of P_b defects at the rm Si/SiO_2 interface 1993 24th IEEE Semiconductor Interface Specialists Conference   inproceedings
    BibTeX:
    @inproceedings{JaiHarSto1993a,
      author = {Jain, S C and Harker, A H and Stoneham, A M},
      title = {Predicting the density of P_b defects at the rm Si/SiO_2 interface},
      booktitle = {24th IEEE Semiconductor Interface Specialists Conference},
      publisher = {IEEE},
      year = {1993},
      note = {Dec 9-1 1,1993, Fort Lauderdale, Florida}
    }
    					
    JaiPinHarWilMaeMer1995 Jain, S.C.; Pinardi, K.; Harker, A.H.; Willander, M.; Maes, H.E. & Mertens, R.P. Stresses in selectively grown III-V semiconductor stripes and buried quantum wire lasers: effect on optical properties 1995 Proceedings of the 25th European Solid State Device Research Conference ESSDERC-95 , pp. 459-462   inproceedings
    BibTeX:
    @inproceedings{JaiPinHarWilMaeMer1995,
      author = {Jain, S C and Pinardi, K and Harker, A H and Willander, M and Maes, H E and Mertens, R P},
      title = {Stresses in selectively grown III-V semiconductor stripes and buried quantum wire lasers: effect on optical properties},
      booktitle = {Proceedings of the 25th European Solid State Device Research Conference ESSDERC-95},
      publisher = {Editions Frontieres, Gif sur Yvette, Fance},
      year = {1995},
      pages = {459-462}
    }
    					
    JohAshChiFinHar1996 Johnson, P.C.; Asher, J.; Chivers, D.C.; Findlay, D.J.S. & Harker, A.H. Carrier lifetime control: processes and model 1996
    Vol. 4 IEE Colloquium on new developments in power semiconductor devices - Digest - No 1996/146 , pp. 1-3  
    inproceedings
    BibTeX:
    @inproceedings{JohAshChiFinHar1996,
      author = {Johnson, P C and Asher, J and Chivers, D C and Findlay, D J S and Harker, A H},
      title = {Carrier lifetime control: processes and model},
      booktitle = {IEE Colloquium on new developments in power semiconductor devices - Digest - No 1996/146},
      year = {1996},
      volume = {4},
      pages = {1-3}
    }
    					
    LanHarSaf2001 Lange, A.; Harker, A.H. & Saffari, N. Thompson, D.O. & Chimenti, D.E. (Hrsg.) A Coupled Semi-Analytical/Boundary Method for Modeling Ultrasound Scattering in Titanium Metal-Matrix Composites 2001
    Vol. 20 Review of Progress in Quantitative NDE , pp. 43-50  
    inproceedings
    BibTeX:
    @inproceedings{LanHarSaf2001,
      author = {Lange, A and Harker, A H and Saffari, N},
      title = {A Coupled Semi-Analytical/Boundary Method for Modeling Ultrasound Scattering in Titanium Metal-Matrix Composites},
      booktitle = {Review of Progress in Quantitative NDE},
      year = {2001},
      volume = {20},
      pages = {43-50}
    }
    					
    LanHarSaf2001a Lange, A.; Harker, A.H. & Saffari, N. Modelling Elastic-Wave Multiple Scattering in Metal-Matrix Composites 2001 Proceedings of the 5th International Conference on Theoretical and Computational Acoustics, Beijing, China, 2001   inproceedings
    BibTeX:
    @inproceedings{LanHarSaf2001a,
      author = {Lange, A and Harker, A H and Saffari, N},
      title = {Modelling Elastic-Wave Multiple Scattering in Metal-Matrix Composites},
      booktitle = {Proceedings of the 5th International Conference on Theoretical and Computational Acoustics, Beijing, China, 2001},
      year = {2001},
      note = {AHH}
    }
    					
    LanHarSaf2002 Lange, A.; Harker, A.H. & Saffari, N. Shang, E.R.; Li, Q. & Gao, T.F. (Hrsg.) World Scientific Modelling of elastic wave multiple-scattering in metal-matrix composites 2002 Theoretical and Computational Acoustics 2001 , pp. 357-366   inproceedings
    BibTeX:
    @inproceedings{LanHarSaf2002,
      author = {Lange, A and Harker, A H and Saffari, N},
      title = {Modelling of elastic wave multiple-scattering in metal-matrix composites},
      booktitle = {Theoretical and Computational Acoustics 2001},
      year = {2002},
      pages = {357-366}
    }
    					
    LanHarSaf2003 Lange, A.; Harker, A.H. & Saffari, N. A multilevel multipole method for modelling elastic-wave multiple scattering in fibre-reinforced composites 2003
    Vol. 22 Review of Progress in Quantitative Non-Destructive Evaluation, 2003 , pp. 85-92  
    inproceedings
    BibTeX:
    @inproceedings{LanHarSaf2003,
      author = {Lange, A and Harker, A H and Saffari, N},
      title = {A multilevel multipole method for modelling elastic-wave multiple scattering in fibre-reinforced composites},
      booktitle = {Review of Progress in Quantitative Non-Destructive Evaluation, 2003},
      year = {2003},
      volume = {22},
      pages = {85-92}
    }
    					
    OgiHarChaHawStr1989 Ogilvy, J.A.; Harker, A.H.; Charlesworth, J.P.; Hawker B, M. & Stringfellow, M.W. Thompson, D.O. & Chimenti, D.E. (Hrsg.) Improving inspection of austenitic steels: a combined theoretical and experimental approach 1989 15th Annual Review of Progress in Quantitative Nondestructive Evaluation , pp. 2097-2103   inproceedings
    BibTeX:
    @inproceedings{OgiHarChaHawStr1989,
      author = {Ogilvy, J A and Harker, A H and Charlesworth, J P and Hawker B M and Stringfellow, M W},
      title = {Improving inspection of austenitic steels: a combined theoretical and experimental approach},
      booktitle = {15th Annual Review of Progress in Quantitative Nondestructive Evaluation},
      publisher = {Plenum Press, NY},
      year = {1989},
      pages = {2097-2103}
    }
    					
    SafLivHar2007 Saffari, N.; Livshics, A. & Harker, A.H. Modelling for Ultrasonic Inspection of Aerospace Composites 2007 1st International Conference on Technical Inspection and NDT - Mozil   inproceedings
    Abstract: Modern engineering materials require carefully controlled microstructures
    in order to ensure that the desired material properties are achieved.
    Leading manufacturers in the aerospace industry are working towards
    the introduction of new composite materials such as metal matrix
    composites (MMCs) for engine components and non-crimped fabric composites
    (NCFCs) in the next generation of military and civil aircraft. MMCs
    have improved stiffness and strength-to-weight ratio for high temperature
    applications and NCFCs have better damage tolerance and lower cost
    compared with traditional unidirectional prepreg composites. Deviations
    from the desired microstructure may lead to a catastrophic degradation
    in the properties of these materials. These can arise due to manufacturing
    errors and also in-service degradation. Ultrasonic non-destructive
    evaluation (NDE) is potentially the most powerful and appropriate
    method for evaluation of the microstructure and defects in these
    materials. It is however recognised that new NDE techniques are needed,
    based on a better understanding of wave propagation in these complex
    materials, before engineers can be confident in introducing MMCs
    and NCFCs into service. Overcoming the problems associated with the
    inspection of these novel composites will provide a great impetus
    towards even more widespread adoption of some of these advanced materials.
    Complex microstructures present a formidable problem for ultrasonic
    inspection, since by their very nature they strongly scatter the
    incident ultrasound. This can have many different effects depending
    on the nature of the microstructure and the frequency of the ultrasound.
    In some aerospace applications it is highly desirable to have a very
    regular layout for the reinforcing fibres in MMCs. Modelling elastic
    wave propagation through these materials demonstrates that they can
    behave as phononic crystals and exhibit elastic band-gaps. The purpose
    of this investigation is to see if in the range of frequencies commonly
    used for the non-destructive evaluation of these structures we can
    observe interesting band structures and whether the appearance and
    characteristics of these bands can be used for the characterisation
    of defects within the material. We have investigated the degree of
    regularity needed in the distribution of the fibres for the appearance
    of pass bands. Other effects investigated are changes of pass-band
    characteristics due to the presence of defects, the interaction length
    and the size of the receiving aperture. The study has been performed
    using a Finite Element model which has also been compared with a
    plane wave expansion method. The results demonstrate very interesting
    features in the transmission and reflection spectra with potential
    important implications for the quantitative NDE of these composite
    materials.
    BibTeX:
    @inproceedings{SafLivHar2007,
      author = {Saffari, N and Livshics, A and Harker, A H},
      title = {Modelling for Ultrasonic Inspection of Aerospace Composites},
      booktitle = {1st International Conference on Technical Inspection and NDT - Mozil},
      year = {2007}
    }
    					
    StoAepBayBoyFisGreHarRen2003 Stoneham, A.M.; Aeppli, G.; Bayvel, P.; Boyd, I.; Fisher, A.J.; Greenland, P.T.; Harker, A.H. & Renner, C. Quantum Information Processing Exploiting the Excited State 2003 International Symposium on Photonics and Spintronics in Semiconductor Nanostructures , pp. 2-11   inproceedings
    BibTeX:
    @inproceedings{StoAepBayBoyFisGreHarRen2003,
      author = {Stoneham, A M and Aeppli, G and Bayvel, P and Boyd, I and Fisher, A J and Greenland, P T and Harker, A H and Renner, C},
      title = {Quantum Information Processing Exploiting the Excited State},
      booktitle = {International Symposium on Photonics and Spintronics in Semiconductor Nanostructures},
      year = {2003},
      pages = {2-11},
      note = {PSSN 2003, Kyoto 2-3 November 2003 http://www.ipc.kit.ac.jp/ takaghra/pssn.html}
    }
    					
    StoHarRam2001 Stoneham, A.M.; Harker, A.H. & Ramos, M.M.D. Societe Francaise du Vide Charge and the unexpected: solid state processes involving charged species 2001 Proceedings of the 4th International Conference on Electric Charges in Non-Conductive Materials, Tours, France, 2-6 July 2001 , pp. 15-22   inproceedings
    BibTeX:
    @inproceedings{StoHarRam2001,
      author = {Stoneham, A M and Harker, A H and Ramos, M M D},
      title = {Charge and the unexpected: solid state processes involving charged species},
      booktitle = {Proceedings of the 4th International Conference on Electric Charges in Non-Conductive Materials, Tours, France, 2-6 July 2001},
      year = {2001},
      pages = {15-22},
      note = {AHH}
    }
    					
    StoHarShlSzySof2000 Stoneham, A.M.; Harker, A.H.; Shluger, A.L.; Szymanski, M.A. & Sofield, C.J. Katayama-Yoshida, H. (Hrsg.) Modelling silicon oxidation and the oxide dielectric: Can silicon oxidation be solved? 2000
    Vol. Physics and Control of Defects in Semiconductors Physics and Control of Defects in Semiconductors  
    inproceedings
    BibTeX:
    @inproceedings{StoHarShlSzySof2000,
      author = {A M Stoneham and A H Harker and A L Shluger and M A Szymanski and C J Sofield},
      title = {Modelling silicon oxidation and the oxide dielectric: Can silicon oxidation be solved?},
      booktitle = {Physics and Control of Defects in Semiconductors},
      publisher = {Gordon and Breach},
      year = {2000},
      volume = {Physics and Control of Defects in Semiconductors},
      note = {AHH}
    }
    					
    WacHarHil1990 Wace, P.F.; Harker, A.H. & Hills, D.L. Removal of concrete layers from biological shields by microwaves 1990 Proceedings of the International Conference on Decommissioning Nuclear Installations, Brussels, 24-27 October 1989 , pp. 291-300   inproceedings
    BibTeX:
    @inproceedings{WacHarHil1990,
      author = {Wace, P F and Harker, A H and Hills, D L},
      title = {Removal of concrete layers from biological shields by microwaves},
      booktitle = {Proceedings of the International Conference on Decommissioning Nuclear Installations, Brussels, 24-27 October 1989},
      publisher = {Elsevier},
      year = {1990},
      pages = {291-300}
    }
    					
    AHHQIP06 Harker, A.H. Living on the Edge: Donor States near Interfaces 2007 (QIP07AHH06) School: UCL Basic Technology QIP Project   techreport
    BibTeX:
    @techreport{AHHQIP06,
      author = {Harker, A H},
      title = {Living on the Edge: Donor States near Interfaces},
      school = {UCL Basic Technology QIP Project},
      year = {2007},
      number = {QIP07AHH06}
    }
    					
    HarMat1989 Harker, A.H. & Matthews, J.R. Modelling the Fuel Behaviour during the Chernobyl Accident 1989 (AERE-TP 1344) School: UKAEA Harwell   techreport
    BibTeX:
    @techreport{HarMat1989,
      author = {Harker, A H and Matthews, J R},
      title = {Modelling the Fuel Behaviour during the Chernobyl Accident},
      school = {UKAEA Harwell},
      year = {1989},
      number = {AERE-TP 1344}
    }
    					
    HarMatWit1990 Matthews, J.R.; Harker, A.H. & Whitmell, D.P. Oxide fuel fragmentation in transients 1990 (AERE-TP 1350) School: AERE Harwell   techreport
    BibTeX:
    @techreport{HarMatWit1990,
      author = {Matthews, J R and Harker, A H and Whitmell, D P},
      title = {Oxide fuel fragmentation in transients},
      school = {AERE Harwell},
      year = {1990},
      number = {AERE-TP 1350}
    }
    					
    HarOgi1989 Harker, A.H. & Ogilvy, J.A. Coherent Wave Propagation in Inhomogeneous Materials - a Comparison of Theoretical Models 1989 (TP1338) School: AERE Harwell   techreport
    Abstract: The frequency dependent behaviour of coherent wave propagation in
    inhomogeneous materials is studied using several theoretical models.
    The predictions of a ray tracing model are compared with those of
    a two-dimensional finite difference model, for both isotropic and
    anisotropic inhomogeneous materials. The effects of frequency are
    studied and it is shown how the ray tracing model may be modified
    to incorporate the low frequency regime, in addition to the usual
    high frequency regime for which ray tracing approximations are valid.
    A further comparison is made between the ray tracing solution and
    an analytical solution, for electromagnetic plane waves propagating
    in a material with a one-dimensionally varying dielectric constant.
    The amplitude of the reflected wave is calculated, with good agreement
    between the two models over a wide range of frequencies, including
    low frequencies.
    BibTeX:
    @techreport{HarOgi1989,
      author = {Harker, A H And Ogilvy, J A},
      title = {Coherent Wave Propagation in Inhomogeneous Materials - a Comparison of Theoretical Models},
      school = {AERE Harwell},
      year = {1989},
      number = {TP1338},
      note = {Published later in Ultrasonics.}
    }
    					
    HarOgiTem1990b Harker, A.H.; Ogilvy, J.A. & Temple, J.A.G. Models for rough defects and anisotropic media 1990 (AEA-InTec-0070) School: UKAEA   techreport
    BibTeX:
    @techreport{HarOgiTem1990b,
      author = {Harker, A H and Ogilvy, J A and Temple, J A G},
      title = {Models for rough defects and anisotropic media},
      school = {UKAEA},
      year = {1990},
      number = {AEA-InTec-0070}
    }
    					
    HarTem1995 Harker, A.H. & Temple, J.A.G. Hydrogen Explosions in the Roof of a Cavern Roof Repository 1995 (AEA-TPD-334) School: AEA Technology   techreport
    BibTeX:
    @techreport{HarTem1995,
      author = {Harker, A H and Temple, J A G},
      title = {Hydrogen Explosions in the Roof of a Cavern Roof Repository},
      school = {AEA Technology},
      year = {1995},
      number = {AEA-TPD-334}
    }
    					
    JaiWilHarSto1989 Jain, U.; Harker, A.H.; Stoneham, A.M. & Williams, D.E. Effect of Electrode Geometry on Sensor Response 1989 (AERE-R13485) School: AERE Harwell   techreport
    BibTeX:
    @techreport{JaiWilHarSto1989,
      author = {Jain, U and Harker, A H and Stoneham, A M and Williams, D E},
      title = {Effect of Electrode Geometry on Sensor Response},
      school = {AERE Harwell},
      year = {1989},
      number = {AERE-R13485},
      note = {Later published in Sensors and Actuators}
    }
    					
    JaiWilStoHar1989 Jain, U.; Williams, D.E.; Stoneham, A.M. & Harker, A.H. Temperature dependence of the conductivity of a gas sensor 1989 (AERE-R13486) School: AERE Harwell   techreport
    BibTeX:
    @techreport{JaiWilStoHar1989,
      author = {Jain, U and Williams, D E and Stoneham, A M and Harker, A H},
      title = {Temperature dependence of the conductivity of a gas sensor},
      school = {AERE Harwell},
      year = {1989},
      number = {AERE-R13486}
    }
    					
    QIP04AHH01 Harker, A.H. Spatial distributions of defects 2004 (QIP04AHH01) School: UCL   techreport
    BibTeX:
    @techreport{QIP04AHH01,
      author = {Harker, A H},
      title = {Spatial distributions of defects},
      school = {UCL},
      year = {2004},
      number = {QIP04AHH01}
    }
    					
    QIP08AHH08 Harker, A.H. Excitation and Exchange Energies in Donor Pairs 2008 (QIP08AHH08) School: UCL   techreport
    BibTeX:
    @techreport{QIP08AHH08,
      author = {Harker, A H},
      title = {Excitation and Exchange Energies in Donor Pairs},
      school = {UCL},
      year = {2008},
      number = {QIP08AHH08}
    }
    					

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