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Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by ne...

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Detalles Bibliográficos
Autores principales:	Zhang, Yongfeng, Jiang, Chao, Bai, Xianming
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5247734/ https://www.ncbi.nlm.nih.gov/pubmed/28106154 http://dx.doi.org/10.1038/srep41033

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