Investigation of the point defects' properties and diffusion in V-35Cr-15Ta-15W alloy: a molecular dynamics study
Description
The supplementary materials to the article "A. G. Lipnitskii (a), A. V. Vyazmin (a), V. N. Maksimenko (b,a), A. I. Kartamyshev(c,d), D. O. Poletaev (e,a). Investigation of the point defects' properties and diffusion in V-35Cr-15Ta-15W alloy: a molecular dynamics study. Computational Materials Science". (a) The Center of Nanostructured Materials and Nanotechnologies, Belgorod State University, Belgorod, Russian Federation (b) Federal Research Center for Problems of Chemical Physics and Medical Chemistry of the Russian Academy of Sciences, Chernogolovka, Russian Federation (c) Laboratory for Computational Physics, Institute for Computational Science and Artificial Intelligence, Van Lang University, Ho Chi Minh City, Vietnam (d) Faculty of Mechanical, Electrical, and Computer Engineering, Van Lang School of Technology, Van Lang University, Ho Chi Minh City, Vietnam (e) Materials Discovery Laboratory, Skolkovo Institute of Science and Technology, Moscow, Russia
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 subfolder in the lammps_examples folder.