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2014-02-31-stroeve

Seasonal Arctic summer ice extent still hard to forecast.

A new study lead by Prof Julienne Stroeve says year-to-year forecasts of the Arctic’s summer ice extent are not yet reliable.
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Prof John Brodholt

Jump to: 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 2001 | 2000 | 1999 | 1998 | 1997 | 1996 | 1995 | 1994 | 1993 | 1991 | 1990 | 1989 | 1988 | 1986 | NULL
Number of items: 175.

2013

Brodholt, J; (2013) EARTH SCIENCE Water may be a damp squib. NATURE , 498 (7453) 181 - 182.

Hernandez, ER; Alfe, D; Brodholt, J; (2013) The incorporation of water into lower-mantle perovskites: A first-principles study. EARTH AND PLANETARY SCIENCE LETTERS , 364 37 - 43. 10.1016/j.epsl.2013.01.005.

Martorell, B; Brodholt, J; Wood, IG; Vocadlo, L; (2013) The effect of nickel on the properties of iron at the conditions of Earth's inner core: Ab initio calculations of seismic wave velocities of Fe-Ni alloys. EARTH AND PLANETARY SCIENCE LETTERS , 365 143 - 151. 10.1016/j.epsl.2013.01.007.

Tackley, PJ; Ammann, M; Brodholt, JP; Dobson, DP; Valencia, D; (2013) Mantle dynamics in super-Earths: Post-perovskite rheology and self-regulation of viscosity. ICARUS , 225 (1) 50 - 61. 10.1016/j.icarus.2013.03.013.

Zhang, Z; Stixrude, L; Brodholt, J; (2013) Elastic properties of MgSiO3-perovskite under lower mantle conditions and the composition of the deep Earth. EARTH AND PLANETARY SCIENCE LETTERS , 379 1 - 12. 10.1016/j.epsl.2013.07.034.

2012

Ammann, MW; Brodholt, JP; Dobson, DP; (2012) Diffusion of aluminium in MgO from first principles. PHYSICS AND CHEMISTRY OF MINERALS , 39 (6) 503 - 514. 10.1007/s00269-012-0506-z.

Cote, AS; Vocadlo, L; Brodholt, JP; (2012) Ab initio simulations of iron-nickel alloys at Earth's core conditions. Earth and Planetary Science Letters , 345-348 126 - 130. 10.1016/j.epsl.2012.06.025. Green and gold open access
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2011

Ammann, MW; Brodholt, JP; Dobson, DP; (2011) Ferrous iron diffusion in ferro-periclase across the spin transition. EARTH PLANET SC LETT , 302 (3-4) 393 - 402. 10.1016/j.epsl.2010.12.031.

Li, L; Weidner, DJ; Brodholt, J; Alfe, D; Price, GD; (2011) Ab initio molecular dynamic simulation on the elasticity of Mg3Al2Si3O12 pyrope. J EARTH SCI-CHINA , 22 (2) 169 - 175. 10.1007/s12583-011-0169-6.

Li, L; Weidner, DJ; Brodholt, JP; Alfe, D; (2011) Prospecting for water in the transition zone: d ln(Vs)/d ln(Vp). PHYSICS OF THE EARTH AND PLANETARY INTERIORS , 189 (1-2) 117 - 120. 10.1016/j.pepi.2011.07.009.

Lindsay-Scott, A; Wood, IG; Dobson, DP; Vocadlo, L; Brodholt, JP; Knight, KS; ... Taniguchi, T; + view all (2011) Thermoelastic properties and crystal structure of CaPtO3 post-perovskite from 0 to 9 GPa and from 2 to 973 K. J APPL CRYSTALLOGR , 44 999 - 1016. 10.1107/S0021889811023582.

Ono, S; Brodholt, JP; Price, GD; (2011) Elastic, thermal and structural properties of platinum. J PHYS CHEM SOLIDS , 72 (3) 169 - 175. 10.1016/j.jpcs.2010.12.004.

Thomas, C; Wookey, J; Brodholt, J; Fieseler, T; (2011) Anisotropy as cause for polarity reversals of D '' reflections. EARTH PLANET SC LETT , 307 (3-4) 369 - 376. 10.1016/j.epsl.2011.05.011.

2010

Ammann, MW; Brodholt, JP; Dobson, DP; (2010) Simulating Diffusion. REV MINERAL GEOCHEM , 71 201 - 224. 10.2138/rmg.2010.71.10.

Ammann, MW; Brodholt, JP; Wookey, J; Dobson, DP; (2010) First-principles constraints on diffusion in lower-mantle minerals and a weak D '' layer. NATURE , 465 (7297) 462 - 465. 10.1038/nature09052.

Cote, AS; Vocadlo, L; Dobson, DP; Alfe, D; Brodholt, JP; (2010) Ab initio lattice dynamics calculations on the combined effect of temperature and silicon on the stability of different iron phases in the Earth's inner core. In: PHYSICS OF THE EARTH AND PLANETARY INTERIORS. (pp. 2 - 7). ELSEVIER SCIENCE BV

Hunt, SA; Dobson, DP; Li, L; Weidner, DJ; Brodholt, JP; (2010) Relative strength of the pyrope-majorite solid solution and the flow-law of majorite containing garnets. PHYS EARTH PLANET IN , 179 (1-2) 87 - 95. 10.1016/j.pepi.2009.12.001.

Lindsay-Scott, A; Wood, IG; Dobson, DP; Vocadlo, L; Brodholt, JP; Crichton, W; ... Taniguchi, T; + view all (2010) The isothermal equation of state of CaPtO3 post-perovskite to 40 GPa. PHYS EARTH PLANET IN , 182 (1-2) 113 - 118. 10.1016/j.pepi.2010.07.002.

2009

Ammann, MW; Brodholt, JP; Dobson, DP; (2009) Absolute diffusion rates in MgSiO3 perovskite and post-perovskite. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A36 - A36). PERGAMON-ELSEVIER SCIENCE LTD

Ammann, MW; Brodholt, JP; Dobson, DP; (2009) DFT study of migration enthalpies in MgSiO3 perovskite. PHYS CHEM MINER , 36 (3) 151 - 158. 10.1007/s00269-008-0265-z.

Brodholt, J; Ammann, M; Hunt, S; Walker, A; Dobson, D; (2009) The rheological properties of post-perovskite and implications for D ''. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A162 - A162). PERGAMON-ELSEVIER SCIENCE LTD

Hunt, SA; Dobson, DP; Wood, IG; Brodholt, JP; Mecklenburgh, J; Oliver, EC; (2009) Deformation of olivine at 5 GPa and 350-900 degrees C. PHYS EARTH PLANET IN , 172 (1-2) 84 - 90. 10.1016/j.pepi.2008.05.012.

Hunt, SA; Weidner, DJ; Li, L; Wang, LP; Walte, NP; Brodholt, JP; Dobson, DP; (2009) Weakening of calcium iridate during its transformation from perovskite to post-perovskite. NAT GEOSCI , 2 (11) 794 - 797. 10.1038/NGEO663.

Li, L; Brodholt, J; Alfe, D; (2009) Structure and elasticity of hydrous ringwoodite: A first principle investigation. PHYS EARTH PLANET IN , 177 (3-4) 103 - 115. 10.1016/j.pepi.2009.07.007.

Li, L; Weidner, DJ; Brodholt, J; Alfe, D; Price, GD; (2009) Ab initio molecular dynamics study of elasticity of akimotoite MgSiO3 at mantle conditions. PHYS EARTH PLANET IN , 173 (1-2) 115 - 120. 10.1016/j.pepi.2008.11.005.

Sola, E; Brodholt, JP; Alfe, D; (2009) Equation of state of hexagonal closed packed iron under Earth's core conditions from quantum Monte Carlo calculations. PHYS REV B , 79 (2) , Article 024107. 10.1103/PhysRevB.79.024107.

2008

Côté, AS; Vočadlo, L; Brodholt, JP; (2008) The effect of silicon impurities on the phase diagram of iron and possible implications for the Earth's core structure. Journal of Physics and Chemistry of Solids , 69 (9) 2177 - 2181. 10.1016/j.jpcs.2008.03.031.

Cote, AS; Vocadlo, L; Brodholt, JP; (2008) The effect of silicon impurities on the phase diagram of iron and possible implications for the Earth's core structure. In: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS. (pp. 2177 - 2181). PERGAMON-ELSEVIER SCIENCE LTD

Cote, AS; Vocadlo, L; Brodholt, JP; (2008) Light elements in the core: Effects of impurities on the phase diagram of iron. Geophysical Research Letters , 35 (5) , Article L05306. 10.1029/2007GL032788. Green open access
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Fortes, AD; Brodholt, JP; Vocadlo, L; (2008) Ab initio approaches to the physical properties of planetary ices. Presented at: The Science of Solar System Ices (ScSSI): A Cross-Disciplinary Workshop 2008, Oxnard, California, US. Green open access
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Grindrod, PM; Fortes, AD; Nimmo, F; Feltham, DL; Brodholt, JP; Vocadlo, L; (2008) The long-term stability of a possible aqueous ammonium sulfate ocean inside Titan. Icarus , 197 (1) pp. 137-151. 10.1016/j.icarus.2008.04.006.

Ono, S; Brodholt, JP; Alfe, D; Alfredsson, M; Price, GD; (2008) Ab initio molecular dynamics simulations for thermal equation of state of B2-type NaCl. J APPL PHYS , 103 (2) , Article 023510. 10.1063/1.2832632.

Ono, S; Brodholt, JP; Price, GD; (2008) First-principles simulation of high-pressure polymorphs in MgAl2O4. PHYS CHEM MINER , 35 (7) 381 - 386. 10.1007/s00269-008-0231-9.

Ono, S; Brodholt, JP; Price, GD; (2008) Structural phase transitions in IrO2 at high pressures. J PHYS-CONDENS MAT , 20 (4) , Article 045202. 10.1088/0953-8984/20/04/045202.

Ono, S; Oganov, AR; Brodholt, JP; Vocadlo, L; Wood, IG; Lyakhov, A; ... Price, GD; + view all (2008) High-pressure phase transformations of FeS: Novel phases at conditions of planetary cores. EARTH PLANET SC LETT , 272 (1-2) 481 - 487. 10.1016/j.epsl.2008.05.017.

Oxo, S; Brodholt, JP; Price, GD; (2008) Phase transitions of BaCO3 at high pressures. MINERAL MAG , 72 (2) 659 - 665. 10.1180/minmag.2008.072.2.659.

Stackhouse, S; Brodholt, JP; (2008) Elastic properties of the post-perovskite phase of Fe2O3 and implications for ultra-low velocity zones. PHYS EARTH PLANET IN , 170 (3-4) 260 - 266. 10.1016/j.pepi.2008.07.010.

Vocadlo, L; Wood, IG; Gillan, MJ; Brodholt, J; Dobson, DP; Price, GD; Alfe, D; (2008) The stability of bcc-Fe at high pressures and temperatures with respect to tetragonal strain. PHYS EARTH PLANET IN , 170 (1-2) 52 - 59. 10.1016/j.pepi.2008.07.032.

2007

Alfredsson, M; Cora, F; Dobson, DP; Davy, J; Brodholt, JP; Parker, SC; Price, GD; (2007) Dopant control over the crystal morphology of ceramic materials. SURF SCI , 601 (21) 4793 - 4800. 10.1016/j.suse.2007.07.025.

Blanchard, M; Alfredsson, M; Brodholt, J; Wright, K; Catlow, CRA; (2007) Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study. GEOCHIM COSMOCHIM AC , 71 (3) 624 - 630. 10.1016/j.gca.2006.09.021.

Brodholt, JP; Helffrich, G; Trampert, J; (2007) Chemical versus thermal heterogeneity in the lower mantle: The most likely role of anelasticity. EARTH PLANET SC LETT , 262 (3-4) 429 - 437. 10.1016/j.epsl.2007.07.054.

Dobson, DP; Alfredson, M; Holzapfel, C; Brodholt, JP; (2007) Grain-boundary enrichment of iron on magnesium silicate perovskite. EUROPEAN JOURNAL OF MINERALOGY , 19 (5) 617 - 622. 10.1127/0935-1221/2007/0019-1756.

Grindrod, PM; Fortes, AD; Nimmo, F; Feltham, DL; Brodholt, JP; Vocadlo, L; (2007) Can a warm (aqueous ammonium sulfate) ocean survive inside Titan? In: (Proceedings) EOS Transactions of the American Geophysical Union Fall Meeting. (pp. P23B-1365 - ?).

Grindrod, PM; Fortes, AD; Nimmo, F; Feltham, DL; Brodholt, JP; Vocadlo, L; (2007) The long-term stability of an aqueous ammonium sulfate ocean inside Titan. In: European Planetary Science Congress 2007 Abstracts. (pp. EPSC2007-A-00299/1 - EPSC2007-A-00299/2). Europlanet: Toulouse, France. Green open access
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Li, L; Weidner, DJ; Brodholt, J; Price, GD; (2007) The effect of cation-ordering on the elastic properties of majorite: An ab initio study. EARTH PLANET SC LETT , 256 (1-2) 28 - 35. 10.1016/j.epsl.2007.01.008.

Stackhouse, S; Brodholt, JP; Price, GD; (2007) Electronic spin transitions in iron-bearing MgSiO3 perovskite. EARTH PLANET SC LETT , 253 (1-2) 282 - 290. 10.1016/j.epsl.2006.10.035.

2006

Brodholt, J; Vocadlo, L; (2006) Applications of DFT in the geosciences. MRS Bulletin , 31 675 - ?.

Brodholt, JP; Vocadlo, L; (2006) Applications of density functional theory in the geosciences. MRS BULL , 31 (9) 675 - 680.

Dove, MT; White, TOH; Walker, AM; Bruin, RP; Austen, KF; Artacho, E; ... Murray-Rust, P; + view all (2006) Computational Grids for Mid-Sized Collaborative Projects: The eMinerals Experience. In: Second IEEE International Conference on e-Science and Grid Computing, 2006, e-Science’06. (pp. 95 - 95). IEEE Computer Society Press: Piscataway, US.

Du, Z; Alexandrov, VN; Alfredsson, M; Artacho, E; Austen, KF; Bennett, ND; ... Wright, K; + view all (2006) A virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilization of arsenic species in the environment. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2006. (pp. 481 - 488). NATL E-SCIENCE CENTRE

Du, Z; Alexandrov, VN; Alfredsson, M; Artacho, E; Austen, KF; Bennett, ND; ... Wright, K; + view all (2006) A virtual research organization enabled by eMinerals minigrid: an integrated study of the transport and immobilisation of arsenic species in the environment. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2006 Nottingham, UK 18th–21st September. (pp. 481 - 488). National e-Science Centre: Edinburgh, UK.

Gillan, MJ; Alfe, D; Brodholt, J; Vocadlo, L; Price, GD; (2006) First-principles modelling of Earth and planetary materials at high pressures and temperatures. REP PROG PHYS , 69 (8) 2365 - 2441. 10.1088/0034-4885/69/8/R03.

Hirose, K; Karato, S; Cormier, V; Brodholt, J; Yuen, D; (2006) Unsolved problems in the lowermost mantle. In: GEOCHIMICA ET COSMOCHIMICA ACTA. (pp. A253 - A253). PERGAMON-ELSEVIER SCIENCE LTD

Hirose, K; Karato, S; Cormier, VF; Brodholt, JP; Yuen, DA; (2006) Unsolved problems in the lowermost mantle. Geophysical Research Letters , 33 (12) , Article L12S01. 10.1029/2006GL025691. Green open access
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Li, L; Weidner, DJ; Brodholt, J; Alfe, D; Price, GD; Caracas, R; Wentzcovitch, R; (2006) Elasticity of CaSiO3 perovskite at high pressure and high temperature. PHYS EARTH PLANET IN , 155 (3-4) 249 - 259. 10.1016/j.pepi.2005.12.006.

Li, L; Weidner, DJ; Brodholt, J; Alfe, D; Price, GD; Caracas, R; Wentzcovitch, R; (2006) Phase stability of CaSiO3 perovskite at high pressure and temperature: Insights from ab initio molecular dynamics. PHYS EARTH PLANET IN , 155 (3-4) 260 - 268. 10.1016/j.pepi.2005.12.007.

Li, L; Weidner, DJ; Brodholt, J; Alfee, D; Price, GD; (2006) Elasticity of Mg2SiO4 ringwoodite at mantle conditions. PHYS EARTH PLANET IN , 157 (3-4) 181 - 187. 10.1016/j.pepi.2006.04.002.

Ostanin, S; Alfe, D; Dobson, D; Vocadlo, L; Brodholt, JP; Price, GD; (2006) Ab initio study of the phase separation of argon in molten iron at high pressures. Geophysical Research Letters , 33 (6) , Article L06303. 10.1029/2005GL024276. Green open access
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Stackhouse, S; Brodholt, JP; Dobson, DP; Price, GD; (2006) Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite. Geophysical Research Letters , 33 (12) , Article L12S03. 10.1029/2005GL025589. Green open access
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Stackhouse, S; Brodholt, JP; Price, GD; (2006) Elastic anisotropy of FeSiO3 end-members of the perovskite and post-perovskite phases. Geophysical Research Letters , 33 (1) , Article L01304. 10.1029/2005GL023887. Green open access
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2005

Alfe, D; Alfredsson, M; Brodholt, J; Gillan, MJ; Towler, MD; Needs, RJ; (2005) Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO. PHYS REV B , 72 (1) , Article 014114. 10.1103/PhysRevB.72.014114.

Alfredsson, M; Brodholt, JP; Dobson, DP; Oganov, AR; Catlow, CRA; Parker, SC; Price, GD; (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite. PHYS CHEM MINER , 31 (10) 671 - 682. 10.1007/s00269-004-0429-4.

Alfredsson, M; Brodholt, JP; Wilson, PB; Price, GD; Cora, F; Calleja, A; ... Tyer, RP; + view all (2005) Structural and magnetic phase transitions in simple oxides using hybrid functionals. MOL SIMULAT , 31 (5) 367 - 377. 10.1080/08927020500066684.

Alfredsson, M; Cora, F; Brodholt, JP; Parker, SC; Price, GD; (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions. PHYS CHEM MINER , 32 (5-6) 379 - 387. 10.1007/s00269-005-0009-2.

Blanchard, M; Alfredsson, M; Brodholt, J; Price, GD; Wright, K; Catlow, CRA; (2005) Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite. J PHYS CHEM B , 109 (46) 22067 - 22073. 10.1021/jp053540x.

Calleja, M; Bruin, R; Tucker, MG; Dove, MT; Tyer, R; Blanshard, L; ... Alexandrov, VN; + view all (2005) Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid. MOL SIMULAT , 31 (5) 303 - 313. 10.1080/089270205000067195.

Calleja, M; Bruin, R; Tucker, MG; Dover, MT; Tyer, R; Blanshard, L; ... Alexandrov, VN; + view all (2005) Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid. Molecular Simulation , 31 , Article 5. 10.1080/08927020500067195.

Calleja, M.; Bruin, R.; Tucker, M.G.; Dover, .M.T.; Tyer, R.; Blanshard, L.; ... Alexandrov, V.N.; + view all (2005) Collaborative grid infrastructure for molecular simulations: the eMinerals minigrid as a prototype integrated compute and data grid. Molecular Simulation , 31 (5) pp. 303-313. 10.1080/08927020500067195. Green open access
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Caracas, R; Wentzcovitch, R; Price, GD; Brodholt, J; (2005) CaSiO3 perovskite at lower mantle pressures. Geophysical Research Letters , 32 (6) , Article L06306. 10.1029/2004GL022144. Green open access
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Dobson, DP; Brodholt, JP; (2005) Subducted banded iron formations as a source of ultralow-velocity zones at the core-mantle boundary. NATURE , 434 (7031) 371 - 374. 10.1038/nature03385.

Dobson, DP; Brodholt, JP; (2005) Subducted banded iron formations as a source of ultra-low velocity zones at the core-mantle boundary. Nature , 434 371 - 374. 10.1038/nature03430.

Dove, MT; White, TO; Bruin, RP; Tucker, MG; Calleja, M; Artacho, E; ... Brodholt, J; + view all (2005) eScience usability: the eMinerals experience. In: Cox, SJ and Walker, DW, (eds.) Proceedings of the UK e-Science All Hands Meeting 2005: Nottingham, UK: 19th-22nd September 2005. (pp. 30 - 37). The Engineering and Physical Sciences Research Council (EPSRC): Swindon, UK.

Du, Z; de Leeuw, NH; Grau-Crespo, R; Wilson, PB; Brodholt, JP; Calleja, M; Dove, MT; (2005) A computational study of the the structures and stabilities effect of Li-K solid solutions on of layered silicate materials - an application of the use of Condor pools in molecular simulation. MOL SIMULAT , 31 (5) 339 - 347. 10.1080/08927020500067013.

Fortes, AD; Wood, IG; Vocadlo, L; Brodholt, JP; Alfredsson, M; Knight, KS; ... Marshall, WG; + view all (2005) Investigating planetary ices with neutrons. In: European Geosciences Union 2nd General Assembly. (pp. 01897 - ?). Copernicus GmbH: Göttingen, Germany. Green open access
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Li, L; Brodholt, JP; Stackhouse, S; Weidner, DJ; Alfredsson, M; Price, GD; (2005) Elasticity of (Mg, Fe)(Si, Al)O-3-perovskite at high pressure. EARTH PLANET SC LETT , 240 (2) 529 - 536. 10.1016/j.epsl.2005.09.030.

Li, L; Brodholt, JP; Stackhouse, S; Weidner, DJ; Alfredsson, M; Price, GD; (2005) Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle. Geophysical Research Letters , 32 (17) , Article L17307. 10.1029/2005GL023045. Green open access
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Marmier, A; Spohr, H; Cooke, DJ; Kerisit, S; Brodholt, JP; Wilson, PB; Parker, SC; (2005) Self diffusion of argon in flexible, single wall, carbon nanotubes. MOL SIMULAT , 31 (5) 385 - 389. 10.1080/08927020500066338.

Petford, N; Yuen, D; Rushmer, T; Brodholt, J; Stackhouse, S; (2005) Shear-induced material transfer across the core-mantle boundary aided by the post-perovskite phase transition. EARTH PLANETS SPACE , 57 (5) 459 - 464.

Petford, N; Yuen, D; Rushmer, T; Brodholt, JP; Stackhouse, S; (2005) The post perovskite phase transition: implications for shear-induced poro-viscoelastic interactions at D. Earth, Planets and Space , 57 (5) 459 - 464.

Stackhouse, S; Brodholt, JP; Price, GD; (2005) High temperature elastic anisotropy of the perovskite and post-perovskite polymorphs of Al2O3. Geophysical Research Letters , 32 (13) , Article L13305. 10.1029/2005GL023163. Green open access
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Stackhouse, S; Brodholt, JP; Wookey, J; Kendall, JM; Price, GD; (2005) The effect of temperature on the seismic anisotropy of the perovskite and post-perovskite polymorphs of MgSiO3. EARTH PLANET SC LETT , 230 (1-2) 1 - 10. 10.1016/j.epsl.2004.11.021.

Stackhouse, S.; Brodholt, J.P.; Wookey, J.; Kendall, J.-M.; Price, G.D.; (2005) The effect of temperature on the seismic anisotropy of the perovskite and post-perovskite polymorphs of MgSiO. Earth and Planetary Science Letters , 230 (1-2) pp. 1-10. 10.1016/j.epsl.2004.11.021.

Wells, S; Alfe, D; Blanchard, L; Brodholt, J; Calleja, M; Catloe, R; ... Wright, K; + view all (2005) Ab-initio simulations of magnetic iron sulphides. MOL SIMULAT , 31 (5) 379 - 384. 10.1080/08927020500066361.

Wookey, J.; Stackhouse, S.; Kendall, J.-M.; Brodholt, J.; Price, G.D.; (2005) Efficacy of the post-perovskite phase as an explanation for lowermost-mantle seismic properties. Nature , 438 (7070) pp. 1004-1007. 10.1038/nature04345.

2004

Alfredsson, M; Price, GD; Catlow, CRA; Parker, SC; Orlando, R; Brodholt, JP; (2004) Electronic structure of the antiferromagnetic B1-structured FeO. PHYS REV B , 70 (16) , Article 165111. 10.1103/PhysRevB.70.165111.

Brodholt, J; (2004) Constraining chemical heterogeneity in the Earth's lower mantle. In: LITHOS. (pp. S14 - S14). ELSEVIER SCIENCE BV

Calleja, M; Blanshard, L; Bruin, R; Chapman, C; Thandavan, A; Tyer, R; ... Kleese van Dam, K; + view all (2004) Grid tool integration within the eMinerals Project. In: Proceedings of the 2004 UK E-Science All Hands Meeting, Nottingham, UK. (812 - 817). UK Engineering and Physical Science Research Council Green open access
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Calleja, M; Blanshard, L; Bruin, R; Chapman, C; Thandavan, A; Tyer, R; ... van Dam, KK; + view all (2004) Grid tool integration within the eMinerals Project. In: Cox, SJ, (ed.) Proceedings of the UK e-Science all hands meeting 2004: Nottingham, UK, 31st August-3rd September. (pp. 812 - 817). Engineering and Physical Science Research Council: Swindon, UK.

Chapman, C; Wilson, P; Tannenbaum, T; Farrellee, M; Livny, M; Brodholt, J; Emmerich, W; (2004) Condor Services for the Global Grid: Interoperability between Condor and OGSA. In: Cox, SJ, (ed.) Proceedings of the UK e-Science All Hands Meeting 2004, Nottingham, UK, 31st August – 3rd September. (pp. 870 - 877). The Engineering and Physical Science Research Council (EPSRC): Swindon, UK.

Chapman, C; Wilson, P; Tannenbaum, T; Farrellee, M; Livny, M; Brodholt, J; Emmerich, W; (2004) Condor services for the Global Grid:interoperability between Condor and OGSA. In: Proceedings of the 2004 UK E-Science All Hands Meeting, Nottingham, UK. (870 - 877). UK Engineering and Physical Science Research Council Green open access
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Fortes, AD; Alfredsson, M; Brodholt, JP; Vocadlo, L; Wood, IG; Knight, KS; (2004) Epsom salts on the moons of Jupiter. CCLRC ISIS Annual Report , 2004 (Science Highlight)

Fortes, AD; Wood, IG; Alfredsson, M; Vocadlo, L; Brodholt, JP; (2004) The thermal expansivity of ice II. (ISIS Experimental Reports RB14058 , pp. ? - ? ). CCLRC: Didcot, UK. Green open access
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Fortes, AD; Wood, IG; Knight, KS; Brodholt, JP; Alfredsson, M; Vocadlo, L; (2004) Neutron diffraction studies of planetary ices. In: Lunar and Planetary Science XXXV: papers presented at the Thirty-Fifth Lunar and Planetary Science Conference: March 15-19, 2004. (pp. ? - ?). Lunar and Planetary Institute: Houston, US. Green open access
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Fortes, AD; Wood, IG; Knight, KS; Marshall, WG; Brodholt, JP; Alfredsson, M; Vocadlo, L; (2004) New high-pressure phases of ammonia dihydrate. In: Lunar and Planetary Science XXXV: papers presented at the Thirty-Fifth Lunar and Planetary Science Conference: March 15-19, 2004. (pp. ? - ?). Lunar and Planetary Institute: Houston, US. Green open access
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Nimmo, F; Price, GD; Brodholt, J; Gubbins, D; (2004) The influence of potassium on core and geodynamo evolution. GEOPHYS J INT , 156 (2) 363 - 376. 10.1111/j.1365-246X.2003.02157.x.

Nimmo, F.; Price, G.D.; Brodholt, J.; Gubbins, D.; (2004) The influence of potassium on core and geodynamo evolution. Geophysical Journal International , 156 (2) pp. 363-376. 10.1111/j.1365-246X.2003.02157.x.

Walter, MJ; Kubo, A; Yoshino, T; Brodholt, J; Koga, KT; Ohishi, Y; (2004) Phase relations and equation-of-state of aluminous Mg-silicate perovskite and implications for Earth's lower mantle. EARTH PLANET SC LETT , 222 (2) 501 - 516. 10.1016/j.epsl.2004.03.014.

Wilson, P; Calleja, M; Brodholt, J; Dove, M; Alfredsson, M; Du, Z; ... Tyer, R; + view all (2004) A Grid approach to environmental molecular simulations: deployment and use of condor pools within the eMinerals mini grid. in Case Studies on Grid Applications. Global Grid Forum , 10

Wilson, P; Emmerich, W; Brodholt, J; (2004) Leveraging HTC for UK eScience with very large Condor pools: demand for transforming untapped power into results. In: Proceedings of the 2004 UK E-Science All Hands Meeting, Nottingham, UK. (308 - 315). UK Engineering and Physical Science Research Council Green open access
file

Wood, IG; Vocadlo, L; Knight, KS; Dobson, DP; Marshall, WG; Price, GD; Brodholt, J; (2004) Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction. J APPL CRYSTALLOGR , 37 82 - 90. 10.1107/S0021889803024695.

2003

Fortes, AD; Brodholt, JP; Wood, IG; Vocadlo, L; (2003) Hydrogen bonding in solid ammonia from ab initio calculations. J CHEM PHYS , 118 (13) 5987 - 5994. 10.1063/1.1555630.

Fortes, AD; Brodholt, JP; Wood, IG; Vocadlo, L; (2003) Hydrogen bonding in solid ammonia from density functional theory calculations. The Journal of Chemical Physics , 118 (13) 5987 - 5995. 10.1063/1.555630.

Fortes, AD; Wood, IG; Brodholt, JP; Alfredsson, M; Vocadlo, L; McGrady, GS; Knight, KS; (2003) A high-resolution neutron powder diffraction study of ammonia dihydrate (ND3 center dot 2D(2)O) phase I. J CHEM PHYS , 119 (20) 10806 - 10813. 10.1063/1.1619371.

Fortes, AD; Wood, IG; Brodholt, JP; Vocadlo, L; (2003) Ab initio simulation of the ice II structure. J CHEM PHYS , 119 (8) 4567 - 4572. 10.1063/1.1593630.

Fortes, AD; Wood, IG; Brodholt, JP; Vocadlo, L; (2003) The structure, ordering and equation of state of ammonia dihydrate (NH3 center dot 2H(2)O). ICARUS , 162 (1) 59 - 73. 10.1016/S0019-1035(02)00073-8.

Fortes, AD; Wood, IG; Marshall, WG; Alfredsson, M; Grindrod, PM; Brodholt, JP; ... Vocadlo, L; + view all (2003) The structure, equation of state, and phase transitions of ammonia dihydrate polymorphs. (ISIS Experimental Reports RB13233 , pp. ? - ? ). CCLRC: Didcot, UK. Green open access
file

Fortes, AD; Wood, IG; Vocadlo, L; Brodholt, JP; Alfredsson, M; (2003) The structure and compressibility of ammonia dihydrate phases I and II. (ISIS Experimental Reports RB13234 , pp. ? - ? ). CCLRC: Didcot, UK. Green open access
file

Harris, DJ; Brodholt, JP; Sherman, DM; (2003) Hydration of Sr2+ in hydrothermal solutions from ab initio molecular dynamics. J PHYS CHEM B , 107 (34) 9056 - 9058. 10.1021/jp027772x.

Harris, DJ; Brodholt, JP; Sherman, DM; (2003) Zinc complexation in hydrothermal chloride brines: Results from ab initio molecular dynamics calculations. J PHYS CHEM A , 107 (7) 1050 - 1054. 10.1021/jp026098g.

Harris, DJ; Brodholt, JP; Sherman, DM; (2003) Hydration of Sr2+ in hydrothermal solutions from ab initio molecular dynamics. Journal of Physical Chemistry , 107 (9056) 9058 - ?.

Vocadlo, L; Alfe, D; Gillan, MJ; Wood, IG; Brodholt, JP; Price, GD; (2003) Possible thermal and chemical stabilization of body-centred-cubic iron in the Earth's core. NATURE , 424 (6948) 536 - 539. 10.1038/nature01829.

Vocadlo, L; Alfe, D; Gillan, MJ; Wood, IG; Brodholt, JP; Price, GD; (2003) The stability of bcc iron in the Earth's core. Nature , 424 (6948) 536 - 538. 10.1038/nature01829.

Vocadlo, L; Brodholt, JP; Dobson, DP; Knight, KS; Marshall, WG; Price, GD; Wood, IG; (2003) The effect of ferromagnetism on the equation of state of Fe3C studied by first-principles calculations. Earth and Planetary Science Letters , 203 567 - 575.

Vocadlo, L.; Alfè, D.; Gillan, M.J.; Wood, I.G.; Brodholt, J.P.; Price, G.D.; (2003) Possible thermal and chemical stabilization of body-centred-cubic iron in the Earth's core. Nature , 424 (6948) pp. 536-539. 10.1038/nature01829.

Vocadlo, L.; Alfe, D.; Gillan, M.J.; Wood, I.G.; Brodholt, J.P.; Price, G.D.; (2003) Possible thermal and chemical stabilization of body-centred-cubic iron in the Earth's core. Nature , 424 (6948) pp. 536-539. 10.1038/nature01829.

2002

Alfe, D; Gillan, MJ; Vocadlo, L; Brodholt, J; Price, GD; (2002) The ab initio simulation of the Earth's core. PHILOS T R SOC A , 360 (1795) 1227 - 1244. 10.1098/rsta.2002.0992.

Alfe, D; Gillan, MJ; Vocadlo, L; Brodholt, JP; Price, GD; (2002) The ab initio simulation of the Earth's core. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 360 1071 - 1294.

Brodholt, J; Nimmo, F; (2002) Earth science - Core values. NATURE , 418 (6897) 489 - 491.

Brodholt, JP; Nimmo, F; (2002) Core values. Nature , 418 489 - 491.

Brodholt, JP; Oganov, AR; Price, GD; (2002) Computational mineral physics and the physical properties of perovskite. PHILOS T R SOC A , 360 (1800) 2507 - 2520. 10.1098/rsta.2002.1078.

Davies, JH; Brodholt, JP; Wood, BJ; (2002) Chemical reservoirs and convection in the Earth's mantle - Introduction. PHILOS T R SOC A , 360 (1800) 2361 - 2369. 10.1098/rsta.2002.1086.

Huw Davies, J; Brodholt, JP; Wood, BJ; (2002) Chemical reservoirs and convection in the Earth's mantle. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences , 360 2361 - 2369.

Oganov, AR; Brodholt, JP; Price, GD; (2002) An initio theory of thermoelasticity and phase transition in minerals. In: UNSPECIFIED

Vocadlo, L; Brodholt, J; Dobson, DP; Knight, KS; Marshall, WG; Price, GD; Wood, IG; (2002) The effect of ferromagnetism on the equation of state of Fe3C studied by first-principles calculations. EARTH PLANET SC LETT , 203 (1) 567 - 575.

2001

Dobson, DP; Brodholt, JP; Vocadlo, L; Crichton, WA; (2001) Experimental verification of the Stokes-Einstein relation in liquid Fe-FeS at 5 GPa. MOL PHYS , 99 (10) 773 - 777.

Fortes, AD; Brodholt, JP; Wood, IG; Vocadlo, L; Jenkins, HDB; (2001) Ab initio simulation of ammonia monohydrate (NH3 center dot H2O) and ammonium hydroxide (NH4OH). J CHEM PHYS , 115 (15) 7006 - 7014.

Fortes, AD; Brodholt, JP; Wood, IG; Vočadlo, L; Jenkins, HDB; (2001) Ab initio simulation of ammonia monohydrate (NH·HO) and ammonium hydroxide (NHOH). Journal of Chemical Physics , 115 (15) 7006 - 7014. 10.1063/1.1398104.

Harris, DJ; Brodholt, JP; Harding, JH; Sherman, DM; (2001) Molecular dynamics simulation of aqueous ZnCl2 solutions. MOL PHYS , 99 (10) 825 - 833.

Harris, DJ; Brodholt, JP; Harding, JH; Sherman, DM; (2001) Molecular dynamics simulation of aqueous ZnCL2 solutions. Molecular Physics , 99 833 - ?.

Harris, DJ; Brodholt, JP; Harding, JH; Sherman, DM; (2001) Molecular dynamics simulation of ZnC12 solutions. Molecular Physics , 99 825 - ?.

Oganov, A.R.; Brodholt, J.P.; Price, G.D.; (2001) The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle. Nature , 411 (6840) pp. 934-937. 10.1038/35082048.

Oganov, AR; Brodholt, JP; Price, GD; (2001) The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle. NATURE , 411 (6840) 934 - 937.

Oganov, AR; Brodholt, JP; Price, GD; (2001) Ab initio elasticity and thermal equation of state of MgSiO3 perovskite. EARTH PLANET SC LETT , 184 (3-4) 555 - 560.

Oganov, AR; Price, GD; Brodholt, JP; (2001) Theoretical investigation of metastable Al2SiO5 polymorphs. ACTA CRYSTALLOGR A , 57 548 - 557.

2000

Balucani, U; Brodholt, JP; Jedlovszky, P; Vallauri, R; (2000) Viscosity of liquid water from computer simulations with a polarizable potential model. PHYS REV E , 62 (2) 2971 - 2973.

Brodholt, JP; (2000) Pressure-induced changes in the compression mechanism of aluminous perovskite in the Earth's mantle. NATURE , 407 (6804) 620 - 622.

Brodholt, JP; Refson, K; (2000) An ab initio study of hydrogen in forsterite and a possible mechanism for hydrolytic weakening. J GEOPHYS RES-SOL EA , 105 (B8) 18977 - 18982.

Dobson, DP; Brodholt, JP; (2000) The electrical conductivity and thermal profile of the Earth's mid-mantle. Geophysical Research Letters , 27 (15) 2325 - 2328. 10.1029/1999GL008409. Green open access
file

Dobson, DP; Brodholt, JP; (2000) The electrical conductivity of the lower mantle phase magnesiowustite at high temperatures and pressures. J GEOPHYS RES-SOL EA , 105 (B1) 531 - 538.

Dobson, DP; Crichton, WA; Vocadlo, L; Jones, AP; Wang, YB; Uchida, T; ... Brodholt, JP; + view all (2000) In situ measurement of viscosity of liquids in the Fe-FeS system at high pressures and temperatures. AM MINERAL , 85 (11-12) 1838 - 1842.

Oganov, AR; Brodholt, JP; (2000) High-pressure phases in the Al2SiO5 system and the problem of aluminous phase in the Earth's lower mantle: ab initio calculations. PHYS CHEM MINER , 27 (6) 430 - 439.

Oganov, AR; Brodholt, JP; Price, GD; (2000) Comparative study of quasiharmonic lattice dynamics, molecular dynamics and Debye model applied to MgSiO3 perovskite. PHYS EARTH PLANET IN , 122 (3-4) 277 - 288.

Richmond, NC; Brodholt, JP; (2000) Incorporation of Fe3+ into forsterite and wadsleyite. AM MINERAL , 85 (9) 1155 - 1158.

Vocadlo, L; Brodholt, J; Alfe, D; Gillan, MJ; Price, GD; (2000) Ab initio free energy calculations on the polymorphs of iron at core conditions. PHYSICS OF THE EARTH AND PLANETARY INTERIORS , 117 (1-4) 123 - 137.

1999

Dobson, DP; Brodholt, JP; (1999) The pressure medium as a solid-state oxygen buffer. Geophysical Research Letters , 26 (2) 259 - 262. 10.1029/1998GL900290. Green open access
file

Vocadlo, L; Brodholt, J; Alfe, D; Price, GD; Gillan, MJ; (1999) The structure of iron under the conditions of the Earth's inner core. Geophysical Research Letters , 26 (9) 1231 - 1234. 10.1029/1999GL900214. Green open access
file

1998

Alfredsson, M; Brodholt, JP; Hermanson, K; Vallauri, R; (1998) The use of a point polarizable dipole in intermolecular potentials for water. MOL PHYS , 94 (5) 873 - 876.

Brodholt, JP; (1998) Molecular dynamics simulations of aqueous NaCl solutions at high pressures and temperatures. In: CHEMICAL GEOLOGY. (pp. 11 - 19). ELSEVIER SCIENCE BV

Dobson, DP; Cohen, NS; Pankhurst, QA; Brodholt, JP; (1998) A convenient method for measuring ferric iron in magnesiowustite (MgO-Fe1-xO). AM MINERAL , 83 (7-8) 794 - 798.

Jedlovszky, P; Brodholt, JP; Bruni, F; Ricci, MA; Soper, AK; Vallauri, R; (1998) Analysis of the hydrogen-bonded structure of water from ambient to supercritical conditions. J CHEM PHYS , 108 (20) 8528 - 8540.

Richmond, NC; Brodholt, JP; (1998) Calculated role of aluminum in the incorporation of ferric iron into magnesium silicate perovskite. AM MINERAL , 83 (9-10) 947 - 951.

1997

(1997) A high-temperature electrical conduction mechanism in the lower mantle phase (Mg,Fe),O1-x. Science , 275 (5307) 177901781 - ?.

Brodholt, J; (1997) Ab initio calculations on point defects in forsterite (Mg2SiO4) and implications for diffusion and creep. AM MINERAL , 82 (11-12) 1049 - 1053.

Dobson, DP; Richmond, NC; Brodholt, JP; (1997) A high-temperature electrical conduction mechanism in the lower mantle phase (Mg,Fe),O1-x. SCIENCE , 275 (5307) 1779 - 1781.

1996

Balucani, U; Brodholt, JP; Vallauri, R; (1996) Dynamical properties of liquid water. In: JOURNAL OF PHYSICS-CONDENSED MATTER. (pp. 9269 - 9274). IOP PUBLISHING LTD

Balucani, U; Brodholt, JP; Vallauri, R; (1996) Analysis of the velocity autocorrelation function of water. J PHYS-CONDENS MAT , 8 (34) 6139 - 6144.

Brodholt, J; Patel, A; Refson, K; (1996) An ab initio study of the compressional behavior of forsterite. AM MINERAL , 81 (1-2) 257 - 260.

Destrigneville, CM; Brodholt, JP; Wood, BJ; (1996) Monte Carlo simulation of H2O-CO2 mixtures to 1073.15 K and 30 kbar. CHEM GEOL , 133 (1-4) 53 - 65.

Patel, A; Price, GD; Matsui, M; Brodholt, JP; Howarth, RJ; (1996) A computer simulation approach to the high pressure thermoelasticity of MgSiO3 perovskite. PHYSICS OF THE EARTH AND PLANETARY INTERIORS , 98 (1-2) 55 - 63.

1995

BRODHOLT, J; SAMPOLI, M; VALLAURI, R; (1995) PARAMETERIZING A POLARIZABLE INTERMOLECULAR POTENTIAL FOR WATER. MOL PHYS , 86 (1) 149 - 158.

BRODHOLT, J; SAMPOLI, M; VALLAURI, R; (1995) PARAMETERIZING POLARIZABLE INTERMOLECULAR POTENTIALS FOR WATER WITH THE ICE 1H PHASE. MOL PHYS , 85 (1) 81 - 90.

BRODHOLT, JP; WOOD, BJ; (1995) MEASUREMENT OF THE PVT PROPERTIES OF WATER TO 25 KBARS AND 1600-DEGREES-C FROM SYNTHETIC FLUID INCLUSIONS IN CORUNDUM - REPLY. GEOCHIM COSMOCHIM AC , 59 (12) 2641 - 2641.

WASSERMAN, E; WOOD, B; BRODHOLT, J; (1995) THE STATIC DIELECTRIC-CONSTANT OF WATER AT PRESSURES UP TO 20 KBAR AND TEMPERATURES TO 1273-K - EXPERIMENT, SIMULATIONS, AND EMPIRICAL EQUATIONS. GEOCHIM COSMOCHIM AC , 59 (1) 1 - 6.

1994

BRODHOLT, JP; WOOD, BJ; (1994) MEASUREMENTS OF THE PVT PROPERTIES OF WATER TO 25-KBARS AND 1600-DEGREES-C FROM SYNTHETIC FLUID INCLUSIONS IN CORUNDUM. GEOCHIM COSMOCHIM AC , 58 (9) 2143 - 2148.

WASSERMAN, E; WOOD, B; BRODHOLT, J; (1994) MOLECULAR-DYNAMICS STUDY OF THE DIELECTRIC-CONSTANT OF WATER UNDER HIGH-PRESSURE AND TEMPERATURE CONDITIONS. BER BUNSEN PHYS CHEM , 98 (7) 906 - 911.

1993

BRODHOLT, J; WOOD, B; (1993) MOLECULAR-DYNAMICS SIMULATIONS OF THE PROPERTIES OF CO2-H2O MIXTURES AT HIGH-PRESSURES AND TEMPERATURES. AM MINERAL , 78 (5-6) 558 - 564.

BRODHOLT, J; WOOD, B; (1993) SIMULATIONS OF THE STRUCTURE AND THERMODYNAMIC PROPERTIES OF WATER AT HIGH-PRESSURES AND TEMPERATURES. J GEOPHYS RES-SOL EA , 98 (B1) 519 - 536.

1991

BLUNDY, JD; BRODHOLT, JP; WOOD, BJ; (1991) CARBON FLUID EQUILIBRIA AND THE OXIDATION-STATE OF THE UPPER MANTLE. NATURE , 349 (6307) 321 - 324.

HELFFRICH, G; BRODHOLT, J; (1991) RELATIONSHIP OF DEEP SEISMICITY TO THE THERMAL STRUCTURE OF SUBDUCTED LITHOSPHERE. NATURE , 353 (6341) 252 - 255.

1990

BRODHOLT, J; WOOD, B; (1990) MOLECULAR-DYNAMICS OF WATER AT HIGH-TEMPERATURES AND PRESSURES. GEOCHIM COSMOCHIM AC , 54 (9) 2611 - 2616.

1989

BRODHOLT, JP; BATIZA, R; (1989) GLOBAL SYSTEMATICS OF UNAVERAGED MID-OCEAN RIDGE BASALT COMPOSITIONS - COMMENT. J GEOPHYS RES-SOLID , 94 (B4) 4231 - 4239.

1988

Brodholt, J; Stein, S; (1988) Rheological control of Wadati-Benioff zone seismicity. Geophysical Research Letters , 15 (10) 1081 - 1084. 10.1029/GL015i010p01081. Green open access
file

STEIN, S; DEMETS, C; GORDON, RG; BRODHOLT, J; ARGUS, D; ENGELN, JF; ... WOODS, DF; + view all (1988) A TEST OF ALTERNATIVE CARIBBEAN PLATE RELATIVE MOTION MODELS. J GEOPHYS RES-SOLID , 93 (B4) 3041 - 3050.

1986

FULTHORPE, CS; BRODHOLT, JP; JURDY, DM; SCHLANGER, SO; (1986) MIOCENE CARBONATE RESERVOIRS RELATED TO TECTONIC AND THERMAL EVOLUTION OF SOUTHEAST-ASIAN MARGINAL BASINS. AAPG BULL , 70 (5) 592 - 592.

NULL

Hunt, SA; Dobson, DP; Wood, IG; Brodholt, JP; Mecklenburgh, J; Oliver, E; Low temperature deformation of olivine at 3 GPa and the origin of lower-plane earthquakes. Physics of the Earth and Planetary Interiors

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