[lammps-users] NEMD-thermal conductivity

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1

Dear all,

I would like to ask, if has anybody tried to calculate Thermal Conductivity and Heat Flux with the NEMD approach and if this has been implemented into LAMMPS. The only relevant publications that i have found is by R.J.Stevens at the International Journal of Heat and Mass Transfer 50 (2007), p3977. Suggestions are very wellcome.

thanking you in advance
K.Termentzidis

2

It's not in LAMMPS. The fix viscosity (Muller-Plathe)
could be modified to do it w/out NEMD.

Steve