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Dissipation Function: Nonequilibrium Physics and Dynamical Systems.

Salvatore Caruso1, Claudio Giberti2, Lamberto Rondoni3,4

  • 1Department of Physics, Informatics and Mathematics, Università di Modena and Reggio Emilia, via G.Campi 213/b, I-41125 Modena, Italy.

Entropy (Basel, Switzerland)
|December 8, 2020
PubMed
Summary
This summary is machine-generated.

A new exact response theory in Nonequilibrium Molecular Dynamics uses the Dissipation Function (Ω) to predict system behavior under perturbations. This approach offers insights into both equilibrium and non-equilibrium states, even for single systems.

Keywords:
dissipative systemsentropy productionformal thermodynamicsnonequilibrium molecular dynamicsnonequilibrium steady statesresponse theory

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Area of Science:

  • * Physics
  • * Physical Chemistry
  • * Computational Science

Background:

  • * Recent development of an exact response theory within Nonequilibrium Molecular Dynamics (NEMD).
  • * Introduction of the Dissipation Function (Ω) as a key component, analogous to thermodynamic potentials in equilibrium.
  • * Standard response theory typically analyzes ensembles of systems, whereas the new theory can address single systems under specific conditions.

Purpose of the Study:

  • * To investigate the relationship between linear and exact response theories.
  • * To identify conditions under which the exact response theory is valid.
  • * To explore the physical interpretation of formal results derived from the Dissipation Function.

Main Methods:

  • * Application of the Dissipation Function (Ω) from exact response theory.
  • * Analysis of classical mechanical systems subjected to arbitrary perturbations.
  • * Consideration of systems where local thermodynamic equilibrium may not hold.

Main Results:

  • * The Dissipation Function (Ω) determines nonequilibrium properties, similar to how thermodynamic potentials describe equilibrium states.
  • * Ω can predict the exact response of classical particle systems to perturbations of any magnitude.
  • * Formal, thermodynamic-like relations can be derived using Ω, even for generic dynamical systems lacking local thermodynamic equilibrium.
  • * The theory provides a framework for deeper analysis of Ω and response theory.

Conclusions:

  • * Exact response theory offers a powerful tool for understanding nonequilibrium systems.
  • * The Dissipation Function (Ω) provides a unified approach to describing system responses, bridging equilibrium and nonequilibrium concepts.
  • * Further research is needed to fully interpret the physical implications of the formal results obtained through this theory.