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Direct construction of mesoscopic models from microscopic simulations

Starting from microscopic molecular-dynamics (MD) simulations of constrained Lennard-Jones (LJ) clusters (with constant radius of gyration R(g)), we construct two mesoscopic models [Langevin dynamics and dissipative particle dynamics (DPD)] by coarse graining the LJ clusters into single particles. B...

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Main Authors: Lei, Huan, Caswell, Bruce, Karniadakis, George Em
Formato: Artigo
Idioma:Inglês
Publicado: 2010
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3693397/
https://ncbi.nlm.nih.gov/pubmed/20365672
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