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Equilibrating proteins and other biomacromolecules is cardinal for molecular dynamics simulation of such biological systems in which they perform free dynamics without any externally-applied mechanical constraint, until thermodynamic…

Soft Condensed Matter · Physics 2021-02-11 Ashkan Shekaari , Mahmoud Jafari

We present the stochastic thermodynamic analysis of a time-periodic single particle pump, including explicit results for flux, thermodynamic force, entropy production, work, heat and efficiency. These results are valid far from equilibrium.…

Statistical Mechanics · Physics 2017-12-06 Alexandre Rosas , Christian Van den Broeck , Katja Lindenberg

By considering general Markov stochastic dynamics and its coarse-graining, we study the framework of stochastic thermodynamics for the original and reduced descriptions corresponding to different scales. We are especially concerned with the…

Statistical Mechanics · Physics 2015-01-29 Yohei Nakayama , Kyogo Kawaguchi

The irreversible currents and entropy production rate of a dilute colloidal suspension are calculated using the linear irreversible thermodynamics and the linear response theory. The \anomalous" or \hidden" entropy recently discussed in the…

Statistical Mechanics · Physics 2018-08-24 Kunimasa Miyazaki , Yohei Nakayama , Hiromichi Matsuyama

Thermodynamic uncertainty relations have emerged as universal bounds on current fluctuations in non-equilibrium systems. Here we derive a new bound for a particular class of run-and-tumble type processes using the mathematical framework of…

Statistical Mechanics · Physics 2019-07-02 Mayank Shreshtha , Rosemary J. Harris

Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport,…

Statistical Mechanics · Physics 2016-04-20 Hong Qian , Signe Kjelstrup , Anatoly B. Kolomeisky , Dick Bedeaux

For many real physico-chemical complex systems detailed mechanism includes both reversible and irreversible reactions. Such systems are typical in homogeneous combustion and heterogeneous catalytic oxidation. Most complex enzyme reactions…

Statistical Mechanics · Physics 2013-01-17 A. N. Gorban , E. M. Mirkes , G. S. Yablonsky

Thermodynamic relations are derived from first principles of mechanics for non-equilibrium processes. Since the key role herein is played by the law of increase of entropy, the latter is analyzed at first. It is shown that its derivation…

chao-dyn · Physics 2008-02-03 J. Kumicak , X. de Hemptinne

This paper presents a nonequilibrium thermodynamic model for the relaxation of a local, isolated system in nonequilibrium using the principle of steepest entropy ascent (SEA), which can be expressed as a variational principle in…

Statistical Mechanics · Physics 2016-09-21 Guanchen Li , Michael R. von Spakovsky

Stochastic thermodynamics provides the framework to analyze thermodynamic laws and quantities along individual trajectories of small but fully observable systems. If the observable level fails to capture all relevant degrees of freedom,…

Statistical Mechanics · Physics 2024-07-01 Julius Degünther , Jann van der Meer , Udo Seifert

Relativistic irreversible thermodynamics is reformulated following the conventional approach proposed by Meixner in the non-relativistic case. Clear separation between mechanical and non-mechanical energy fluxes is made. The resulting…

General Relativity and Quantum Cosmology · Physics 2015-06-25 L. S. Garcia-Colin , A. Sandoval-Villalbazo

We first discuss the geometrical construction and the main mathematical features of the maximum-entropy-production/steepest-entropy-ascent nonlinear evolution equation proposed long ago by this author in the framework of a fully quantum…

Quantum Physics · Physics 2015-05-13 Gian Paolo Beretta

We consider discrete and continuous representations of a thermodynamic process in which a random walker (e.g. a molecular motor on a molecular track) uses a periodically pumped energy (work) to pass $N$ sites and move energetically downhill…

Statistical Mechanics · Physics 2023-08-17 Henning Kirchberg , Abraham Nitzan

We analyze the entropy production in run-and-tumble models. After presenting the general formalism in the framework of the Fokker-Planck equations in one space dimension, we derive some known exact results in simple physical situations…

Statistical Mechanics · Physics 2024-05-27 Matteo Paoluzzi , Andrea Puglisi , Luca Angelani

We present a new hydrodynamic model for incompressible binary fluids that is thermodynamically consistent and non-isothermal. This model follows the generalized Onsager principle and Boussinesq approximation and preserves the volume of each…

Fluid Dynamics · Physics 2023-08-14 Shouwen Sun , Liangliang Lei , Qi Wang

We study theoretically the denaturation of single RNA molecules by mechanical stretching, focusing on signatures of the (un)folding pathway in molecular fluctuations. Our model describes the interactions between nucleotides by incorporating…

Soft Condensed Matter · Physics 2009-11-07 Ulrich Gerland , Ralf Bundschuh , Terence Hwa

Recently a number of approaches has been developed to connect the microscopic dynamics of particle systems to the macroscopic properties of systems in nonequilibrium stationary states, via the theory of dynamical systems. This way a direct…

Statistical Mechanics · Physics 2009-10-31 L. Rondoni , E. G. D. Cohen

The variational approach usually used in phase field models (PFVA) is applied here to analyse complex irreversible processes such as thermoelectric (TE) effects and thermally driven mass transport (TDMT). Complex irreversible processes…

Statistical Mechanics · Physics 2015-01-05 Peng Zhou

We use the entropy method to analyze the nonlinear dynamics and stability of a continuum kinetic model of an active nematic suspension. From the time evolution of the relative entropy -- an energy-like quantity in the kinetic model -- we…

Soft Condensed Matter · Physics 2024-06-05 Scott Weady

Using stochastic thermodynamics, the properties of interacting linear chains subject to periodic drivings are investigated. The systems are described by Fokker-Planck-Kramers equation and exact (explicit) solutions are obtained for periodic…

Statistical Mechanics · Physics 2020-02-05 Bruno A. N. Akasaki , M. J. de Oliveira , Carlos E. Fiore