Revealing the diffusion mechanism of Cs in amorphous and polycrystalline SiC by actively trained moment tensor potentials
Abstract The diffusion mechanism of Cs in high energy grain boundaries (HEGBs) of silicon carbide (SiC) remains unsolved due to the lack of reliable and computationally efficient for long time-scale diffusion simulations interatomic potentials. Constructing machine learning interatomic potentials (M...
שמור ב:
| Principais autores: | , , , , , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Nature Portfolio
2026-01-01
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| סדרה: | npj Computational Materials |
| גישה מקוונת: | https://doi.org/10.1038/s41524-025-01944-4 |
| תגים: |
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