Database of Published Interatomic Potential Parameters Potentials Library: Iron
|
Publication | Atom types supported | |
---|---|---|
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+, | |
Lewis 1985a
| O2-, Ca2+, Sc2+, Ti2+, V2+, Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Zn2+, Zr4+, Cd2+, Hf4+, Ce4+, Eu2+, Tb4+, Th4+, U4+, Sc3+, Mn3+, Y3+, La3+, Nd3+, Eu3+, Gd3+, Ho3+, Yb3+, Lu3+, Pu3+ | |
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+ |
Publication | Atom types supported | |
---|---|---|
Woodley 2000
| Li+, Fe3+, Mn4+, Mn3+, Co3+, O2- | |
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) | |
Cherry 1995
| La3+, Cr3+, Mn3+, Fe3+, Co3+, Ga3+, Ca2+, Ti4+, Fe4+, O2- | |
Grimes 1999
| Al3+, Cr3+, Ga3+, Fe3+, Sc3+, In3+, Y3+, Gd3+, Ce3+, La3+, Ce4+, O2- | |
Lewis 1985b
| O2-, Mg2+, Ca2+, Sr2+, Ba2+, Mn2+, Fe2+, Co2+, Ni2+, Zn2+, Al3+, Ti3+, V3+, Cr3+, Fe3+, Ge4+, Sn4+, Ti4+, Ce4+, U4+, Th4+ | |
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+ | |
P 1998
| Li+, Fe3+, Mn4+, Mn3+, O2- |
Publication | Atom types supported | |
---|---|---|
Cherry 1995
| La3+, Cr3+, Mn3+, Fe3+, Co3+, Ga3+, Ca2+, Ti4+, Fe4+, O2- |