colabfit/NiCoCr_NC2020
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/NiCoCr_NC2020
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资源简介：
NiCoCr NC2020数据集是一个包含镍钴铬中熵合金分子动力学模拟结果的数据集，旨在研究合金的屈服强度和错配体积等力学性质，以及化学短程有序（SRO）对这些性质的影响。数据集包含了428种独特的分子配置和40624个原子，属性包括能量、原子力和Cauchy应力。
The NiCoCr NC2020 dataset contains molecular dynamics simulation results of the NiCoCr medium-entropy alloy, focusing on the study of mechanical properties such as yield strength and misfit volumes, and the influence of chemical short-range order (SRO) on these properties. The dataset includes 428 unique molecular configurations and 40,624 atoms, with properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
