Solute Segregation in Polycrystalline Aluminum From Hybrid Monte Carlo and Molecular Dynamics Simulations With a Unified Neuroevolution Potential
ABSTRACT The fundamental mechanisms of solute segregation and their impacts on material properties remain elusive, primarily due to the complexity and computational challenges in modeling. To address this, we present a specialized GPU implementation of highly efficient hybrid Monte Carlo and molecul...
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| Principais autores: | , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Wiley-VCH
2026-03-01
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| coleção: | Materials Genome Engineering Advances |
| Acesso em linha: | https://doi.org/10.1002/mgea.70049 |
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