DFRL-UCL Potentials Library: Magnesium

Database of Published Interatomic Potential Parameters

 

Potentials Library: Magnesium
 
Click on the first publication for the parameters of interest.



PublicationAtom types supported
Baram 1996
Mg2+, Al3+, Si4+, O2-, (OH)-
Binks 1994
O1-, O2-, F-, Cl-, Li+, Na+, K+, Ag+, Cu+, Mg2+, Al2+, Co2+, Co3+, Co4+, Cr2+, Cr3+, Cr4+, Zn, Zn+, Zn2+, Zn3+
Bush 1994
O2-, Li+, Na+, K+, Mg2+, Ca2+, Sr2+, Ba2+, Fe3+, Ti4+, Al3+, Ga3+, Y3+, Pr3+, Nd3+, Gd3+, Eu3+, Tb3+, Yb3+, La3+
Catlow 1992
Na+, K+, Mg2+, Sr2+, Ni2+, Al3+, Fe3+, Si4+, Ti4+, P5+, O2-, O (oh), H (oh)
Kerisit 2004
Mg2+, Ca2+, Sr2+, H2O, (CO3)2-
Lewis 1985b
O2-, Mg2+, Ca2+, Sr2+, Ba2+, Mn2+, Fe2+, Co2+, Ni2+, Zn2+, Al3+, Ti3+, V3+, Cr3+, Fe3+, Ge4+, Sn4+, Ti4+, Ce4+, U4+, Th4+
Lewis 1985c
O2-, Mg2+, Ca2+, Sr2+, Ba2+, Mn2+, Fe2+, Co2+, Ni2+, Al3+, U4+
Parker 1992
Mg2+, Al3+, Si4+, O2-, (OH)-
Woodley 1999
O2-, Ag+, Ag3+, Ce4+, Cu+, Fe2+, Ge4+, Mn4+, Nb5+, Pb+, Po4+, Rb+, Sn4+, Ta2+, Tl3+, Ti4+, U2+, V2+, V4+, Zr2+, Zr4+, Li+, Na+, K+, Mg2+, Ca2+, Sr2+, Ba2+, Fe3+, Ti4+, Al3+, Ga3+, Y3+, Pr3+, Nd3+, Gd3+, Eu3+, Tb3+, Yb3+, La3+


If you would like to suggest additional information please email me Scott.Woodley at ucl (.ac.uk)