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A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants

For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield uniq...

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Detalhes bibliográficos
Publicado no:Materials (Basel)
Main Authors: Ewen, James P., Gattinoni, Chiara, Thakkar, Foram M., Morgan, Neal, Spikes, Hugh A., Dini, Daniele
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5509262/
https://ncbi.nlm.nih.gov/pubmed/28773773
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma9080651
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