遇见数据集

Supplementary initial and final MD configurations for the manuscript: General-purpose machine-learned potential for 16 elemental metals and their alloys

收藏
NIAID Data Ecosystem2026-05-02 收录
数据链接:
官方服务:

资源简介:

Extended XYZ files for the initial and final configurations of the molecular dynamics simulations from the article 'General-purpose machine-learned potential for 16 elemental metals and their alloys' (https://arxiv.org/abs/2311.04732). The Supplementary Data is contained in the folder named:1) Polycrystalline-MoTaVW: The plasticity MD simulations in multi-principal element alloys. 2) MoTaVW-radiation: The primary radiation damage MD simulations in multi-principal element alloys. 3) Goldene: Comparisons between UNEP-v1 and EAM models in MD simulations. 4) NiAlMo: Comparisons between UNEP-v1 and EAM models in MCMD simulations.5) AlCrCuNiV: Comparisons between UNEP-v1 and EAM models in MCMD simulations.

创建时间:
2024-10-19
二维码
社区交流群
二维码
科研交流群
商业服务