[lammps-users] Reference for NiAlH_jea.eam.fs (UNCLASSIFIED)

Classification: UNCLASSIFIED
Caveats: NONE

Does anyone know if there is a journal reference for the NiAlH_jea.eam.fs potential provided with LAMMPS.
Brian J. Henz
U.S. Army Research Laboratory
High Performance Computing Division
APG, MD 21005
Phone: 410-278-6531
Fax: 410-278-4983
email: [email protected]…610…

Classification: UNCLASSIFIED
Caveats: NONE


Unless I'm mistaken, this potential is the one fitted by James E Angelo
(hence the "jea"), Neville R Moody and Michael I Baskes that appears in:

"Trapping of hydrogen to lattice defects in nickel", Modelling and
Simulation in Materials Science & Engineering, vol. 3, pp. 289-307 (1995)

There must be a follow-up article to this one as it only discusses
parameters for the Ni-Ni, Ni-H and H-H interactions. Nevertheless, this is
the reference to start with.

Jon Z.