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Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gr...

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Detaylı Bibliyografya
Yayımlandı:J Chem Phys
Asıl Yazarlar: Petsev, Nikolai D., Leal, L. Gary, Shell, M. Scott
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: AIP Publishing LLC 2015
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC5848718/
https://ncbi.nlm.nih.gov/pubmed/25637963
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4905720
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