Elastic constants from charge density distribution in FCC high-entropy alloys using CNN and DFT
While high-entropy alloys (HEAs) present exponentially large compositional space for alloy design, they also create enormous computational challenges to trace the compositional space, especially for the inherently expensive density functional theory calculations (DFT). Recent works have integrated m...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2024-12-01
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| Series: | APL Machine Learning |
| Online Access: | http://dx.doi.org/10.1063/5.0229105 |
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