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Systematic Coarse Graining: “Four Lessons and A Caveat” from Nonequilibrium Statistical Mechanics

Ottinger, Hans Christian

MRS bulletin, 2007-11, Vol.32 (11), p.936-940 [Periódico revisado por pares]

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Título:
Systematic Coarse Graining: “Four Lessons and A Caveat” from Nonequilibrium Statistical Mechanics
Autor: Ottinger, Hans Christian
Assuntos: Dynamical systems ; Granulation ; Molecular dynamics ; Redundancy ; Statistical mechanics ; Statistical thermodynamics ; Technical Feature
É parte de: MRS bulletin, 2007-11, Vol.32 (11), p.936-940
Notas: istex:75FAEF7229469AB4534E08A0DA8CB6AD7BCA89FF
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Descrição: With the guidance offered by nonequilibrium statistical thermodynamics, simulation techniques are elevated from brute-force computer experiments to systematic tools for extracting complete, redundancy-free, and consistent coarse-grained information for dynamic systems. We sketch the role and potential of Monte Carlo, molecular dynamics, and Brownian dynamics simulations in the thermodynamic approach to coarse graining. A melt of entangled linear polyethylene molecules serves us as an illustrative example.
Editor: New York, USA: Cambridge University Press
Idioma: Inglês

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