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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...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | Sci Rep |
|---|---|
| Prif Awduron: | , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
Nature Publishing Group
2017
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| Pynciau: | |
| Mynediad Ar-lein: | 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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