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...

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Detalles Bibliográficos
Autores principales: Kajita, Seiji, Pacini, Alberto, Losi, Gabriele, Kikkawa, Nobuaki, Righi, Maria Clelia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

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