Investigation of a physical model-based machine-learning force field for BaZrO3 perovskite

Investigation of a physical model-based machine-learning force field for BaZrO3 perovskite

Interatomic potential is a key component of large-scale atomic simulation of materials. For scientific problems in complex environments such as high temperature，high pressure and irradiation，the interactions between atoms are often very complex. The empirical force field only considers two-body，thre...

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Bibliographic Details
Main Authors: ZHAO Liang, NIU Hongwei, JING Yuhang
Format: Article
Language:zho
Published: Journal of Aeronautical Materials 2023-12-01
Series:Journal of Aeronautical Materials
Subjects:
machine learning
physical model
mechanical properties
molecular dynamics simulation
bazro3 perovskite
Online Access:http://jam.biam.ac.cn/article/doi/10.11868/j.issn.1005-5053.2023.000011

Internet

http://jam.biam.ac.cn/article/doi/10.11868/j.issn.1005-5053.2023.000011

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