[lammps-users] MELT

Dear LAMMMPS users,

I am trying to simulate the Si liquid solid interface. I tried different integrators but cannot reach the state when both systems are in equilibrium ( 1677 K ). Could you please suggest what kind of integrators to use and also boundary conditions.


What potential did you use?
These are melting temperatures at zero pressure for most popular potentials (Stephen J.Cook, phys. rev. B, vol 47, 13, 1993):
Tersoff - 2547 K
MEAM - 1475 K
SW - 1691 K

And if you use SW, what direction crystallization/melting front at 1677 K evolves?

Best regards, Konstantin

2010/3/23 mezakuilis mezakuilis <mezakuilis@…24…>