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Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching
The extent to which vibrational energy transfer dynamics can impact reaction outcomes beyond the gas phase remains an active research question. Molecular dynamics (MD) simulations are the method of choice for investigating such questions; however, they can be extremely expensive, and therefore it is...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society Publishing
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5360904/ https://www.ncbi.nlm.nih.gov/pubmed/28320908 http://dx.doi.org/10.1098/rsta.2016.0206 |