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Predicting phase behavior of grain boundaries with evolutionary search and machine learning

The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in the exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that can predict interface structure. Here we develop a comp...

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Detalles Bibliográficos
Autores principales: Zhu, Qiang, Samanta, Amit, Li, Bingxi, Rudd, Robert E., Frolov, Timofey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5794988/
https://www.ncbi.nlm.nih.gov/pubmed/29391453
http://dx.doi.org/10.1038/s41467-018-02937-2