Development of neural network potential for Al-based alloys containing vacancy
Potential energy of an alloy is an essential indicator for evaluating the stability of the structure in predicting new materials. Therefore, how to calculate the potential energy in material design has become an inevitable problem. While first-principles calculations can provide chemical accuracy fo...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
The Japan Society of Mechanical Engineers
2023-07-01
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| Series: | Mechanical Engineering Journal |
| Subjects: | |
| Online Access: | https://www.jstage.jst.go.jp/article/mej/10/4/10_23-00066/_pdf/-char/en |