Coarse-graining and thermodynamics in far-from-equilibrium systems
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 equilibriu...
| Autores: | , |
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| Formato: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2013 |
| País: | España |
| Recursos: | Universidad de Barcelona |
| Repositorio: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/52692 |
| Acesso em linha: | https://hdl.handle.net/2445/52692 |
| Access Level: | acceso abierto |
| Palavra-chave: | Termodinàmica del desequilibri Física estadística Processos estocàstics Mecànica estadística del no equilibri Nonequilibrium thermodynamics Statistical physics Stochastic processes Nonequilibrium statistical mechanics |
| Resumo: | 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. |
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