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Accurate Multiscale Simulation of Frictional Interfaces by Quantum Mechanics/Green’s Function Molecular Dynamics
[Image: see text] Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring what happens at the sliding buried interface, which is almost inaccessible by experiments. Simulations represent powerful t...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413868/ https://www.ncbi.nlm.nih.gov/pubmed/37433055 http://dx.doi.org/10.1021/acs.jctc.3c00295 |