[lammps-users] interface


I have a couple of questions.

  1. In the simulation of thermal interface like CNT - Silicon, is there any way we can see or estimate the number of bonds formed between Carbon and silicon atoms at every timestep??

  2. Is there a interatomic potential available for Gallium Arsendide(GaAs) in lammps? If yes, then which one is it?


1) what is your definition of a "bond"? You could write a fix to
tabulate the "bonds" that meet your criteria and output it.

2) Don't know what potentials are used for GaAs - you'll need
to figure that out,then look at the LAMMPS list of pair styles.