[lammps-users] Cu-Sn system w/ MEAM


Has anyone had luck reproducing the Cu in Sn activation energy using the new version of LAMMPS-MEAM with the L12 cross potentials? I’m pulling parameters from Aguilar, Ravelo, Baskes, Modelling Simul. Mater. Sci. Eng. 8 (2000) 335–344. My 0K reference structure cohesive energy is correct, but I see no diffusion of a single Cu atom in beta-Sn with an MD run at 450K.

Michael Sellers

.meam and in. attached.

Cu3Sn.meam (290 Bytes)

in.energy (600 Bytes)

in.block-nvt (1.1 KB)

library.meam (1.48 KB)

I don't recall any significant change to MEAM lately.