Including heat transfer in MD simulation

LAMMPS LAMMPS General Discussion
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1

Hi everybody.

I am working on amorphous silica. I want to include laser interaction and electronic effects in my simulations. For example, “put” in the center of fused silica of 2000 atoms at 300 K some energy at 4000 K and see the heat transfer (all 3D). Is there a way to do so?

Another issue is that the temporal domains of electronic effects and MD are different, is there a way to escape this problem? I am thinking of coupling MD with FDTD.

2

Please have a look at fix ttm and fix ttm/mod.