[lammps-users] thermal conductivity contribution from bonded and non bonded terms

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1

Hello LAMMPS users,

I am using the LAMMPS window version 19 March 2020.

I am using the pcff force field. I have crosslinked epoxy and calculated thermal conductivity of epoxy. Is it possible to identify contributions from non bonded and bonded terms in terms of thermal conductivity?

Thanks and regards,
Ankit

2

I cannot think of a way that doesn’t include modifying the LAMMPS C++ code in a significant way.

3

Thank you, Axel.