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Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first...

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Bibliografiske detaljer
Udgivet i:Sci Rep
Main Authors: Zhou, Yu-Ping, Jiang, Jin-Wu
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group 2017
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5368563/
https://ncbi.nlm.nih.gov/pubmed/28349983
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep45516
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