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

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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.
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Year of publication

2021

Authors

University of Helsinki

Matemaattis-luonnontieteellinen tiedekunta

Flyura Djurabekova - Contributor

Kai Nordlund - Contributor

Jesper Byggmästar Orcid -palvelun logo - Publisher, Creator

Other information

Fields of science

Physical sciences

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