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Coarse-graining and thermodynamics in far-from-equilibrium systems
Rubí Capaceti, José Miguel; Pérez Madrid, Agustín
Universitat de Barcelona
Lying at the core of statistical physics is the need to reduce the number of degrees of freedom in a system. Coarse-graining is a frequently-used procedure to bridge molecular modeling with experiments. In equilibrium systems, this task can be readily performed; however in systems outside equilibrium, a possible lack of equilibration of the eliminated degrees of freedom may lead to incomplete or even misleading descriptions. Here, we present some examples showing how an improper coarse-graining procedure may result in linear approaches to nonlinear processes, miscalculations of activation rates and violations of the fluctuation-dissipation theorem.
Termodinàmica del desequilibri
Física estadística
Processos estocàstics
Mecànica estadística del no equilibri
Nonequilibrium thermodynamics
Statistical physics
Stochastic processes
Nonequilibrium statistical mechanics
cc-by-nc (c) Rubí Capaceti, José Miguel et al., 2013
http://creativecommons.org/licenses/by-nc/3.0/es
Artículo
info:eu-repo/semantics/publishedVersion
Jagiellonian University
         

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