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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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Библиографические подробности
Опубликовано в: :Materials (Basel)
Главные авторы: Ewen, James P., Gattinoni, Chiara, Thakkar, Foram M., Morgan, Neal, Spikes, Hugh A., Dini, Daniele
Формат: Artigo
Язык:Inglês
Опубликовано: MDPI 2016
Предметы:
Online-ссылка: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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