Lammps simulates Si-Nife diffusion at 1400k？ Why does Si dissipate？?

13 January 2024 0 7K Report

Lammps simulates Si-Nife diffusion at 1400k. Why does Si dissipate to the top when it is heated to 1400k? What is the reason and how to solve it？Use tersoff and eam potential, LJ connection potential function, see the attached figure.

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