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Mechanism for direct graphite-to-diamond phase transition

Using classical molecular dynamics with a more reliable reactive LCBOPII potential, we have performed a detailed study on the direct graphite-to-diamond phase transition. Our results reveal a new so-called “wave-like buckling and slipping” mechanism, which controls the transformation from hexagonal...

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Detalles Bibliográficos
Autores principales: Xie, Hongxian, Yin, Fuxing, Yu, Tao, Wang, Jian-Tao, Liang, Chunyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120013/
https://www.ncbi.nlm.nih.gov/pubmed/25088720
http://dx.doi.org/10.1038/srep05930