five

Ta_PRM2019

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DataCite Commons2024-03-28 更新2025-04-09 收录
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https://materials.colabfit.org/id/DS_40zw467dnc6d_0
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资源简介:
This dataset was designed to enable machine-learning of Ta elastic, thermal, and defect properties, as well as surface energetics, melting, and the structure of the liquid phase. The dataset was constructed by starting with the dataset from J. Byggmästar et al., Phys. Rev. B 100, 144105 (2019), then rescaling all of the configurations to the correct lattice spacing and adding in gamma surface configurations.
提供机构:
ColabFit
创建时间:
2024-03-28
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