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Relationship between structural order and water-like anomalies in metastable liquid silicon: Ab initio molecular dynamics

The relationship between structural order and water-like anomalies in tetrahedral liquids is still open. Here, first-principle molecular dynamics are performed to study it in metastable liquid Si. It is found that in T-P phase diagram, there indeed exists a structural anomaly region, which encloses...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Zhao, G., Yan, J. L., Yu, Y. J., Ding, M. C., Zhao, X. G., Wang, H. Y.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5215308/
https://ncbi.nlm.nih.gov/pubmed/28054595
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep39952
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