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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Detalles Bibliográficos

Autores principales:	Keke Song, Jiahui Liu, Yuanxu Zhu, Shunda Chen, Zheyong Fan, Yanjing Su, Ping Qian
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	Wiley-VCH 2026-03-01
Colección:	Materials Genome Engineering Advances
Acceso en línea:	https://doi.org/10.1002/mgea.70049
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