Machine-learned interatomic potential for Mo-Nb-Ta-V-W (2+3-body tabGAP)

Description

Potential files, lammps implementation, and training data for a machine-learned tabGAP (tabulated Gaussian approximation potential) for Mo-Nb-Ta-V-W alloys.

Year of publication

2021

Type of data

Authors

University of Helsinki

Matemaattis-luonnontieteellinen tiedekunta

Jesper Byggmästar - Publisher, Creator

Flyura Djurabekova - Contributor

Kai Nordlund - Contributor

Project

Other information

Fields of science

Physical sciences

Language

Open access

Open

License

Creative Commons Attribution 4.0 International (CC BY 4.0)

Keywords

Molecular Dynamics, machine learning, high-entropy alloy, interatomic potential, MoNbTaVW, tabGAP