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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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Sci Rep
Hauptverfasser: Zhou, Yu-Ping, Jiang, Jin-Wu
Format: Artigo
Sprache:Inglês
Veröffentlicht: Nature Publishing Group 2017
Schlagworte:
Online Zugang: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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