DFRL-UCL Potentials Library: Titanium

Database of Published Interatomic Potential Parameters

 

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



Potentials Library: Titanium(II)

PublicationAtom types supported
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+

Potentials Library: Titanium(III)

PublicationAtom types supported
Lewis 1985b
O2-, Mg2+, Ca2+, Sr2+, Ba2+, Mn2+, Fe2+, Co2+,Ni2+, Zn2+, Al3+, Ti3+, V3+, Cr3+, Fe3+, Ge4+, Sn4+, Ti4+, Ce4+, U4+, Th4+

Potentials Library: Titanium(IV)

PublicationAtom 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+
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 1997
O2-, Ti4+, Sr2+
Grimes 2000
Lu3+, Yb3+, Er3+, Y3+, Gd3+, Eu3+, Sm3+, Nd3+, La3+, Ti4+, Ru4+, Mo4+, Sn4+, Zr4+, Pb4+, Ce4+, O2-
Matsui Akaogi 1991
O2-, Ti4+
Lewis 1985b
O2-, Mg2+, Ca2+, Sr2+, Ba2+, Mn2+, Fe2+, Co2+,Ni2+, Zn2+, Al3+, Ti3+, V3+, Cr3+, Fe3+, Ge4+, Sn4+, Ti4+, Ce4+, U4+, Th4+
Olson 2006
O2-, Ti4+


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