N-body potential for simulating lattice defects and diffusion in copper

Published: 28 February 2023| Version 1 | DOI: 10.17632/k7fzjk4p9f.1
Contributor:
Daniil Poletaev

Description

The supplemetary materials to the article "N-body potential for simulating lattice defects and diffusion in copper"

Files

Steps to reproduce

1. Install LAMMPS package according to the instructions in installing_lammps.txt file; 2. Run lammps with command 'lmp -in control.inp' from subfolders in the lammps_examples folder.

Categories

Copper, Diffusion, Molecular Dynamics, Grain Boundary

Funding

Russian Science Foundation

22-72-10026

Licence