Automatic identification of slip pathways in ductile inorganic materials by combining the active learning strategy and NEB method
Abstract Ductile inorganic semiconductors have recently received considerable attention due to their metal-like mechanical properties and potential applications in flexible electronics. However, the accurate determination of slip pathways, crucial for understanding the deformation mechanism, still p...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-02-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01531-7 |
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