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The nonequilibrium free energy theorems show how distributions of work along nonequilibrium paths are related to free energy differences between the equilibrium states at the end points of these paths. In this paper we develop a natural way…

Statistical Mechanics · Physics 2011-11-09 Stephen R. Williams , Debra J. Searles , Denis J. Evans

Systems that are driven out of thermal equilibrium typically dissipate random quantities of energy on microscopic scales. Crooks fluctuation theorem relates the distribution of these random work costs with the corresponding distribution for…

Quantum Physics · Physics 2018-02-13 Johan Aberg

The imaginary-time path integral representation of the canonical partition function of a quantum system and non-equilibrium work fluctuation relations are combined to yield methods for computing free energy differences in quantum systems…

Statistical Mechanics · Physics 2009-11-13 Ramses van Zon , Lisandro Hernandez de la Pena , Gilles H. Peslherbe , Jeremy Schofield

An overview is given of recent advances in nonequilibrium statistical mechanics about the statistics of random paths and current fluctuations. Although statistics is carried out in space for equilibrium statistical mechanics, statistics is…

Statistical Mechanics · Physics 2016-04-12 Pierre Gaspard

Fluctuation relations allow for the computation of equilibrium properties, like free energy, from an ensemble of non-equilibrium dynamics simulations. Computing them for quantum systems, however, can be difficult, as performing dynamic…

Quantum Physics · Physics 2021-09-07 Lindsay Bassman , Katherine Klymko , Diyi Liu , Norman M. Tubman , Wibe A. de Jong

We derive the optimal estimates of the free energies of an arbitrary number of thermodynamic states from nonequilibrium work measurements; the work data are collected from forward and reverse switching processes and obey a fluctuation…

Statistical Mechanics · Physics 2009-11-11 Paul Maragakis , Martin Spichty , Martin Karplus

Jarzynski's identity for the free energy difference between two equilibrium states can be viewed as a special case of a more general procedure based on phase space mappings. Solving a system's equation of motion by approximate means…

Statistical Mechanics · Physics 2009-11-11 Wolfgang Lechner , Harald Oberhofer , Christoph Dellago , Phillip L. Geissler

Chemical reaction systems operating in nonequilibrium open-system states arise in a great number of contexts, including the study of living organisms, in which chemical reactions, in general, are far from equilibrium. Here we introduce a…

Subcellular Processes · Quantitative Biology 2007-05-23 Daniel A. Beard , Hong Qian

In this work, we propose two models of coupled harmonic oscillators under Brownian motion to computationally study the applications of fluctuation theorems. This paper also illustrates how to analytically calculate free energy differences…

Statistical Mechanics · Physics 2025-09-03 Julián David Jiménez-Paz , José Daniel Muñoz-Castaño

Near equilibrium, thermodynamic intuition suggests that fast, irreversible processes will dissipate more energy and entropy than slow, quasistatic processes connecting the same initial and final states. Here, we test the hypothesis that…

Statistical Mechanics · Physics 2022-12-07 Rebecca A. Bone , Daniel J. Sharpe , David J. Wales , Jason R. Green

Recent years have witnessed major advances in our understanding of nonequilibrium processes. The Jarzynski equality, for example, provides a link between equilibrium free energy differences and finite-time, nonequilibrium dynamics. We…

Statistical Mechanics · Physics 2016-04-27 Dibyendu Mandal , Michael R. DeWeese

Using a one-dimensional macromolecule in aqueous solution as an illustration, we demonstrate that the relative entropy from information theory, $\sum_k p_k\ln(p_k/p_k^*)$, has a natural role in the energetics of equilibrium and…

Mathematical Physics · Physics 2007-05-23 Hong Qian

Crook's Fluctuation Theorem and Jarzynski equality are immensely powerful tools in obtaining equilibrium properties through non-equilibrium transition between two equilibrium states. In this letter, we propose an extension to the Crook's…

Statistical Mechanics · Physics 2017-01-17 Puneet Kumar Patra , Baidurya Bhattacharya

We have experimentally checked the Jarzynski equality and the Crooks relation on the thermal fluctuations of a macroscopic mechanical oscillator in contact with a heat reservoir. We found that, independently of the time scale and amplitude…

Statistical Mechanics · Physics 2009-11-11 F. Douarche , S. Ciliberto , A. Petrosyan , I. Rabbiosi

Studying the structure of systems in nonequilibrium steady states necessitates tools that quantify population shifts and associated deformations of equilibrium free energy landscapes under persistent currents. Within the framework of…

Statistical Mechanics · Physics 2024-08-14 Jorge L. Rosa-Raíces , David T. Limmer

In this note we review recent progress about fluctuation relations and their applicability to free energy recovery in single molecule experiments. We underline the importance of the operational definition for the mechanical work and the…

Statistical Mechanics · Physics 2015-05-27 Anna Alemany , Marco Ribezzi , Felix Ritort

Firstly the fluctuation theorems (FT) for expended work in a driven nonequilibrium system, isolated or thermostatted, together with the ensuing Jarzynski work-energy (W-E) relationships, will be discussed and reobtained. Secondly, the…

Statistical Mechanics · Physics 2016-10-31 Carolyne M. Van Vliet

A recent result, relating the (irreversible) work performed on a system during a non-quasistatic process, to the Helmholtz free energy difference between two equilibrium states of the system, is discussed. A proof of this result is given…

Statistical Mechanics · Physics 2007-05-23 C. Jarzynski

We introduce a framework to identify Fluctuation Relations for vector-valued observables in physical systems evolving through a stochastic dynamics. These relations arise from the particular structure of a suitable entropic functional and…

Statistical Mechanics · Physics 2025-10-22 Raphael Chetrite , Stefano Marcantoni

We theoretically explore the Bochkov-Kuzovlev-Jarzynski-Crooks work theorems in a finite system subject to external control, which is coupled to a heat reservoir. We first elaborate the mechanical energy-balance between the system and the…

Statistical Mechanics · Physics 2015-09-02 Chang Sub Kim
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