Database of Published Interatomic Potential Parameters Potentials Library: Oxides
|
Publication | Atom types supported | |
---|---|---|
Woodley 2000
| La3+, Mn3+, O2- | |
Woodley 2000
| Li+, Fe3+, Mn4+, Mn3+, Co3+, O2- | |
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+ | |
Baram 1996
| O1.4-, H0.4+, O2-, Mg2+, Al3+ | |
Binks 1994
| O-, 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) | |
Cherry 1995
| La3+, Cr3+, Mn3+, Fe3+, Co3+, Ga3+, Ca2+, Ti4+, Fe4+, O2- | |
Exnor 1995
| Ta5+, K+, O2- | |
Fisher 1997
| O2-, Ba2+, In3+ | |
Girard 2001
| O2-, Ga3+, P5+ | |
Grimes 1997
| Sr2+, O2-, Ti4+ | |
Grimes 1999
| Al3+, Cr3+, Ga3+, Fe3+, Sc3+, In3+, Y3+, Gd3+, Ce3+, La3+, Ce4+, O2- | |
Grimes 2000
| Lu3+, Yb3+, Er3+, Y3+, Gd3+, Eu3+, Sm3+, Nd3+, La3+, Ti4+, Ru4+, Mo4+, Sn4+, Zr4+, Pb4+, Ce4+, O2- | |
Hope 1989
| Si4+, O2-, Kr | |
Ilett 1993
| La3+, O2-, O- | |
Islam 1995
| La3+, Br-, O2- | |
Islam 1995
| Hg2+, Ba2+, Ca2+, Cu2+, O2- | |
Islam 1998
| Bi3+, W6+, O2- | |
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+ | |
Olson 2006
| Ti4+, O2- | |
Parker 1992
| Mg2+, Al3+, Si4+, O2-, O (oh), H (oh) | |
Sastre 2003
| O2-, Si4+, Ge4+ | |
Sauer 1997
| Si4+, Al3+, H+, P5+, O2- | |
van Beest 1990
| Al3+, P5+, O2- | |
A 1998
| Li+, Mn4+, Mn3+, O2- | |
S 1998
| Tl3+, Mn4+, Mn3+, O2- | |
Whitemore 2002
| Zn2+, O2- |
Publication | Atom types supported | |
---|---|---|
Binks 1994
| O-, O2-, F-, Cl-, Li+, Na+, K+, Ag+, Cu+, Mg2+, Al2+, Co2+, Co3+, Co4+, Cr2+, Cr3+, Cr4+, Zn, Zn+, Zn2+, Zn3+ | |
Ilett 1993
| La3+, O2-, O- |
Publication | Atom types supported | |
---|---|---|
Baram 1996
| O2-, H0.4+, O1.4-, Mg2+, Al3+ | |
Matsui 1988
| O1.2-, Si2.4+ | |
Matsui Akaogi 1991
| Ti2.196+, O1.098- | |
Murashov 1995
| O1.2-, Ga1.4+, P3.4+ |
Publication | Atom types supported | |
---|---|---|
Kerisit 2004
| Mg2+, Ca2+, Sr2+, H2O, (CO3)2- |
Publication | Atom types supported | |
---|---|---|
Kerisit 2004
| Mg2+, Ca2+, Sr2+, H2O, (CO3)2- |