Dataset - Fingerprinting Complex Atomic Environments: Learning Local Segregation Energy Behavior at Grain Boundaries
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https://figshare.com/articles/dataset/Dataset_-_Fingerprinting_Complex_Atomic_Environments_Learning_Local_Segregation_Energy_Behavior_at_Grain_Boundaries/19210287/1
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资源简介：
Dataset for reference with article "Fingerprinting Complex Atomic Environments: Learning Local Segregation Energy Behavior at Grain Boundaries". Dataset contains files for ML training and evaluation of Ni-P segregation energy from bicrystalline, amorphous, and polycrystalline simulations as outlined in the article.
提供机构：
figshare
创建时间：
2022-02-22
