Article
Multidisciplinary Sciences
Phillip M. Rauscher, Hans Christian Ottinger, Juan J. de Pablo
Summary: Nonequilibrium interfacial thermodynamics plays a crucial role in biological, physical, and industrial-scale transport processes. In this study, we propose a theory of local equilibrium for multiphase multicomponent interfaces and use molecular dynamics simulations to validate the theory. Our results provide a thermodynamic foundation and computational tools for studying various interfacial transport phenomena.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Physics, Multidisciplinary
R. A. Dumer, M. Godoy
Summary: The nonequilibrium Ising model on a restricted scale-free network has been studied using Monte Carlo simulations. The dynamics of the system are defined by the probability of one- and two-spin flip processes, simulating contact with a heat bath or an external flux of energy. The study found finite critical points and calculated thermodynamic quantities and critical exponents for the system.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2023)
Article
Physics, Fluids & Plasmas
Benjamin Sorkin, Joshua Ricouvier, Haim Diamant, Gil Ariel
Summary: We propose a functional that calculates the entropy contribution of microscopic degrees of freedom based on their measurable pair correlations. This functional can be applied to systems in and out of equilibrium and determines the maximum entropy possible given a certain correlation function. By applying this method to different correlations, we can identify the degrees of freedom that govern a specific physical state, allowing us to capture dynamic transitions. This formalism is also applicable to systems with broken translational invariance and varying numbers of particles.
Article
Physics, Multidisciplinary
Erez Aghion, Jason R. Green
Summary: Thermodynamic speed limits are classical uncertainty relations that place global bounds on the stochastic dissipation of energy and the production of entropy. In this study, we derive integral speed limits that provide upper and lower bounds on the minimum time for an amount of mechanical work to be done on or by a system, instead of constraints on thermodynamic costs. We demonstrate the relationship between an extrinsic timescale and an intrinsic timescale for work in the short time limit, and convert the first law of stochastic thermodynamics into a first law of speeds. Two physical examples are considered - the work done by a flashing Brownian ratchet and the work done on a particle in a potential well subject to external driving.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2023)
Article
Chemistry, Physical
Ruslan L. L. Davidchack, Brian B. B. Laird
Summary: In this study, we combined two methods to measure the excess chemical potential of a test hard spherical particle in a fluid of hard spheres. The measurements were carried out for a wide range of particle diameters, from zero to infinity, and revealed statistically significant deviations from the cubic polynomial form. An empirical functional form was proposed to better fit the measurement data while remaining consistent with the analytical limiting behavior.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Shenglin Huang, Chuanpeng Sun, Prashant K. Purohit, Celia Reina
Summary: The article introduces the Jarzynski relation and its application far away from equilibrium, extracting dissipation potential using this relation and a local equilibrium assumption, validating continuum models under different stretching experiment conditions, and demonstrating the predictive capability of these methods for macroscopic observable data.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2021)
Article
Physics, Fluids & Plasmas
Abdelkader El Makouri, Abdallah Slaoui, Rachid Ahl Laamara
Summary: In this paper, measurement-based quantum thermal machines are studied and the necessary condition for positive work and bounds on the ratio of fluctuations for a spin-1/2 quantum Otto heat engine are derived. The role of initial coherence on efficiency and relative fluctuations is also analyzed.
Article
Chemistry, Physical
Zhaoxi Sun, Qiaole He
Summary: The combination of free energy simulations in the alchemical and configurational spaces provides a feasible route to access the thermodynamic profiles under a computationally demanding target Hamiltonian. In this work, the possibility of further accelerating the nonequilibrium free energy simulation is explored by employing unidirectional pulling and using a selection criterion. Numerical tests are performed to provide insights and guidelines for using this selection-criterion-based scheme.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Gabriele Perfetto, Federico Carollo, Matteo Magoni, Igor Lesanovsky
Summary: The study focuses on closed quantum many-body systems subject to stochastic resetting, showing that controlled stochastic resetting dynamics can be used to design nonequilibrium stationary states to prevent uncontrolled dissipation and heating. Using the transverse-field quantum Ising chain as an example, the research demonstrates that signatures of quantum phase transitions can be observed in the steady state of the reset dynamics.
Article
Optics
Xiansong Xu, Chu Guo, Dario Poletti
Summary: This study investigates the typical emergence of nonequilibrium quasi-steady current and its prethermalization mechanism between two nonintegrable systems.
Article
Chemistry, Physical
Piero Procacci
Summary: In the field of drug design, a dual topology alchemical approach for calculating binding free energy between different compounds is proposed. This method overcomes the limitations of traditional single topology methods and has been validated in various test scenarios. It is specifically designed for high-performance computing facilities and can be easily implemented in popular simulation software.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Multidisciplinary Sciences
Benoit Mahault, Evelyn Tang, Ramin Golestanian
Summary: Topology and stochastic thermodynamics are combined to formulate a fluctuation theorem for heat dissipation in vortex force fields, which is found to be topologically protected. The study demonstrates that entropy production in strongly fluctuating systems is quantized and controlled by a topological invariant, even when the probability distributions are non-Gaussian functions.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
V Pineda-Reyes, L. F. Escamilla-Herrera, C. Gruber, F. Nettel, H. Quevedo
Summary: This study investigates the consequences of reparameterizations on the geometric description of thermodynamics and finds that they can be coded in the contact and Riemannian structures of the thermodynamic phase space. Even though the geometric structures are modified by the reparameterizations, the metric structure on the thermodynamic equilibrium space is preserved.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2021)
Article
Physics, Fluids & Plasmas
Ugur Cetiner, Jeremy Gunawardena
Summary: In this study, the properties of steady-state probabilities are investigated. It is found that steady-state probabilities are related to the entropy along minimal paths and can be expressed as averages over a probability distribution on spanning trees. By applying Arrhenius rates to the arboreal distribution, a thermodynamic interpretation for steady-state probabilities is provided. This approach extends equilibrium statistical mechanics and reorganizes the complexity of the expression.
Article
Physics, Multidisciplinary
Silvia Pappalardi, Laura Foini, Jorge Kurchan
Summary: This letter reveals the close relationship between the eigenstate thermalization hypothesis and free probability theory, providing a mathematical framework to study quantum thermalization. This framework simplifies higher-order correlation functions and naturally incorporates the consistency property of local functions of the ETH operators.
PHYSICAL REVIEW LETTERS
(2022)