N-body potential for simulation of α, β and ω phases of zirconium

Published: 8 September 2023| Version 1 | DOI: 10.17632/3vhvyzyt7n.1
Contributor:
Andrey Kartamyshev

Description

The supplemetary materials to the article "N-body potential for simulation of α, β and ω phases of zirconium"

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

Phase Transition, Diffusion, Molecular Dynamics, Zirconium

Funding

Russian Science Foundation

22-72-10026

Licence