colabfit/WBe_PRB2019
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/WBe_PRB2019
下载链接
链接失效反馈官方服务：
资源简介：
WBe PRB2019数据集用于生成钨和铍的多组分线性SNAP势能，该势能已在Wood等人2019年的物理评论B期刊上发表。该数据集是为了研究核聚变反应堆中的等离子体材料相互作用而开发的。数据集包含25120个独特的分子配置和525915个原子，涵盖了铍（Be）和钨（W）两种元素，并包括了能量、原子力和柯西应力等属性。
The WBe PRB2019 dataset was used to generate a multi-component linear SNAP potential for tungsten and beryllium, as published in Wood, M. A., et. al. Phys. Rev. B 99 (2019) 184305. This dataset was developed to study plasma material interactions in fusion reactors. It contains 25,120 unique molecular configurations and 525,915 atoms, including the elements beryllium (Be) and tungsten (W), and properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
