Dataset - Fingerprinting Complex Atomic Environments: Learning Local Segregation Energy Behavior at Grain Boundaries
收藏Figshare2022-02-22 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/Dataset_-_Fingerprinting_Complex_Atomic_Environments_Learning_Local_Segregation_Energy_Behavior_at_Grain_Boundaries/19210287/1
下载链接
链接失效反馈官方服务：
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.
本数据集配套于学术论文《指纹表征复杂原子环境：学习晶界处的局部偏聚能行为》（Fingerprinting Complex Atomic Environments: Learning Local Segregation Energy Behavior at Grain Boundaries）。数据集包含用于基于双晶、非晶及多晶模拟体系开展镍-磷（Ni-P）偏聚能的机器学习（Machine Learning）训练与评估的相关文件，相关研究细节详见该论文。
提供机构：
Gupta, Ankit; Tucker, Garritt J.; Tavenner, Jacob; Kober, Edward M.; Thompson, Gregory
创建时间：
2022-02-22
