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Dissipation Function: Nonequilibrium Physics and Dynamical Systems

An exact response theory has recently been developed within the field of Nonequilibrium Molecular Dynamics. Its main ingredient is known as the Dissipation Function, [Formula: see text]. This quantity determines nonequilbrium properties like thermodynamic potentials do with equilibrium states. In pa...

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Autores principales: Caruso, Salvatore, Giberti, Claudio, Rondoni, Lamberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7517435/
https://www.ncbi.nlm.nih.gov/pubmed/33286606
http://dx.doi.org/10.3390/e22080835
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author Caruso, Salvatore
Giberti, Claudio
Rondoni, Lamberto
author_facet Caruso, Salvatore
Giberti, Claudio
Rondoni, Lamberto
author_sort Caruso, Salvatore
collection PubMed
description An exact response theory has recently been developed within the field of Nonequilibrium Molecular Dynamics. Its main ingredient is known as the Dissipation Function, [Formula: see text]. This quantity determines nonequilbrium properties like thermodynamic potentials do with equilibrium states. In particular, [Formula: see text] can be used to determine the exact response of particle systems obeying classical mechanical laws, subjected to perturbations of arbitrary size. Under certain conditions, it can also be used to express the response of a single system, in contrast to the standard response theory, which concerns ensembles of identical systems. The dimensions of [Formula: see text] are those of a rate, hence [Formula: see text] can be associated with the entropy production rate, provided local thermodynamic equilibrium holds. When this is not the case for a particle system, or generic dynamical systems are considered, [Formula: see text] can equally be defined, and it yields formal, thermodynamic-like, relations. While such relations may have no physical content, they may still constitute interesting characterizations of the relevant dynamics. Moreover, such a formal approach turns physically relevant, because it allows a deeper analysis of [Formula: see text] and of response theory than possible in case of fully fledged physical models. Here, we investigate the relation between linear and exact response, pointing out conditions for the validity of the response theory, as well as difficulties and opportunities for the physical interpretation of certain formal results.
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spelling pubmed-75174352020-11-09 Dissipation Function: Nonequilibrium Physics and Dynamical Systems Caruso, Salvatore Giberti, Claudio Rondoni, Lamberto Entropy (Basel) Article An exact response theory has recently been developed within the field of Nonequilibrium Molecular Dynamics. Its main ingredient is known as the Dissipation Function, [Formula: see text]. This quantity determines nonequilbrium properties like thermodynamic potentials do with equilibrium states. In particular, [Formula: see text] can be used to determine the exact response of particle systems obeying classical mechanical laws, subjected to perturbations of arbitrary size. Under certain conditions, it can also be used to express the response of a single system, in contrast to the standard response theory, which concerns ensembles of identical systems. The dimensions of [Formula: see text] are those of a rate, hence [Formula: see text] can be associated with the entropy production rate, provided local thermodynamic equilibrium holds. When this is not the case for a particle system, or generic dynamical systems are considered, [Formula: see text] can equally be defined, and it yields formal, thermodynamic-like, relations. While such relations may have no physical content, they may still constitute interesting characterizations of the relevant dynamics. Moreover, such a formal approach turns physically relevant, because it allows a deeper analysis of [Formula: see text] and of response theory than possible in case of fully fledged physical models. Here, we investigate the relation between linear and exact response, pointing out conditions for the validity of the response theory, as well as difficulties and opportunities for the physical interpretation of certain formal results. MDPI 2020-07-30 /pmc/articles/PMC7517435/ /pubmed/33286606 http://dx.doi.org/10.3390/e22080835 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Caruso, Salvatore
Giberti, Claudio
Rondoni, Lamberto
Dissipation Function: Nonequilibrium Physics and Dynamical Systems
title Dissipation Function: Nonequilibrium Physics and Dynamical Systems
title_full Dissipation Function: Nonequilibrium Physics and Dynamical Systems
title_fullStr Dissipation Function: Nonequilibrium Physics and Dynamical Systems
title_full_unstemmed Dissipation Function: Nonequilibrium Physics and Dynamical Systems
title_short Dissipation Function: Nonequilibrium Physics and Dynamical Systems
title_sort dissipation function: nonequilibrium physics and dynamical systems
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7517435/
https://www.ncbi.nlm.nih.gov/pubmed/33286606
http://dx.doi.org/10.3390/e22080835
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