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Generation and correction of machine learning interatomic potential for simulation of liquid metal corrosion with near experimental accuracy: A study for iron corrosion in liquid lead

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DataCite Commons2025-05-01 更新2025-05-17 收录
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https://data.mendeley.com/datasets/prcp4h5drs
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The MTP and 2B potential files used in the study entitled "Generation and correction of machine learning interatomic potential for simulation of liquid metal corrosion with near experimental accuracy: a study for iron corrosion in liquid lead" can be downloaded.

本研究题为《实现接近实验精度的液态金属腐蚀模拟机器学习原子间势(machine learning interatomic potential)的生成与修正——液态铅中铁腐蚀研究》,其中使用的MTP与2B势能文件可下载。
提供机构:
Mendeley Data
创建时间:
2024-11-15
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