DFRL-UCL Potentials Library: Scandium

Database of Published Interatomic Potential Parameters

 

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



Potentials Library: Scandium(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: Scandium(III)

PublicationAtom types supported
Grimes 1999
Al3+, Cr3+, Ga3+, Fe3+, Sc3+, In3+, Y3+, Gd3+, Ce3+, La3+, Ce4+, 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+


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