tried to reproduced your supplementary data

[felixodincov]

is:issue is:open Hello! My name Zhukov Vladlen, I am Phd student. I tried to reproduced your supplementary. https://doi.org/10.1016/j.commatsci.2020.109951 But I came across a problem - the atoms in the aluminum layer scatter around the box when the projectile moves. Which version of lammps did you use? Can you suggest the potential for carbon, for molecular dynamics simulations of ballistic impact ? My email: zhukov.vv@phystech.edu

[nuwan-d]

Hello Zhukov,

NVE ensemble should be used for impact simulations.

Although I used the LAMMPS version 2018/12/12, it is unlikely that the specific version of LAMMPS is a crucial factor in this case. Have you attempted to run the simulation provided in this repository?

AIREBO-M is a suitable choice for carbon simulations.

[felixodincov]

Thanks for the answer. Yes, I tried to run an example from the repository. The only thing I changed was the file name for the aluminum potential, since it was incorrectly specified in impact_para.params. I'm attaching a gif of the simulation. I also attach a GIF simulation without a polymer.