Article
Engineering, Aerospace
Shuang Li, Hong Xiao
Summary: This study introduces a thermodynamically consistent generalized hydrodynamic theory to develop a unified framework for modeling both equilibrium and nonequilibrium gas flows. By extending linear dissipation to highly nonlinear dissipation to address nonlinear irreversible thermodynamics, the study fulfills the positive entropy generation criterion and shows good agreement with experimental data. The significance lies in providing a unified framework for modeling both equilibrium and nonequilibrium gas flows.
Article
Chemistry, Physical
Yongick Cho, William M. Jacobs
Summary: Chemically driven fluids can separate into condensed droplets under non-equilibrium conditions, and the differential driving between the interior and exterior of the droplets leads to nonequilibrium interfacial properties. The study shows that the nonequilibrium interfacial tension can either increase or decrease compared to its equilibrium value, depending on the acceleration or deceleration of chemical reactions within the droplets.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Faezeh Khodabandehlou, Christian Maes, Karel Netocny
Summary: We discuss when and why the steady nonequilibrium heat capacity vanishes with temperature using general arguments and examples. The framework of Markov jump processes on finite connected graphs is used, where the condition of local detailed balance helps identify the heat fluxes, and the discreteness enables a nondegenerate stationary distribution at absolute zero. Additionally, a dynamic condition is needed for the nonequilibrium extension of the Third Law to ensure that the low-temperature dynamical activity and accessibility of the dominant state remain sufficiently high.
JOURNAL OF CHEMICAL PHYSICS
(2023)
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
Chemistry, Physical
Hyun-Myung Chun, Jordan. M. M. Horowitz
Summary: We investigate the effects of logarithmic perturbations of reaction rates on chemical reaction networks driven far from equilibrium. Our findings show that the response of the average number of chemical species is limited by both number fluctuations and the maximum thermodynamic driving force. We provide evidence for these trade-offs in linear chemical reaction networks and a specific class of nonlinear chemical reaction networks with a single chemical species. Numerical results from various model systems suggest that these trade-offs hold for a wide range of chemical reaction networks, although their specific form seems to depend on the network's deficiency.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Daniel Mayer, Eric Lutz, Artur Widera
Summary: Thermodynamic inequalities, such as the Clausius inequality, characterize the direction of nonequilibrium processes. In this study, the authors experimentally investigate the nonequilibrium thermodynamics of an initially isolated dilute gas of ultracold Cesium atoms to confirm the validity of two generalized Clausius inequalities.
COMMUNICATIONS PHYSICS
(2023)
Article
Multidisciplinary Sciences
Alex Albaugh, Todd R. Gingrich
Summary: The authors simulated the movement of molecular motors under non-equilibrium conditions and developed a dynamic scheme to observe their cycles. By coarse graining the simulations, they identified inter-particle interactions that regulate the motor rates.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Wei Wu, Jin Wang
Summary: In this study, we establish the nonequilibrium equation of state for open Hamiltonian systems in contact with multiple heat baths in the stochastic thermodynamics framework. The nonequilibrium equation of state consists of an equilibrium part and a nonequilibrium correction part, which depend on the average temperature and temperature differences of the heat baths, respectively. Furthermore, the nonequilibrium equation of state also depends on the friction coefficients arising from system-bath interactions, suggesting a relational condition between the system and the heat baths.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Astronomy & Astrophysics
D. J. Zamora, C. Tsallis
Summary: We analyze the thermodynamical consistency of entropic-force cosmological models using a generalized entropy scaling. By determining the temperature of the universe horizon and comparing with supernovae data, we evaluate the performance of these models. Our analysis provides insights into the form of cosmological entropy and temperature and identifies thermodynamically consistent models.
Article
Multidisciplinary Sciences
Denys Baranovskyi, Sergey Myamlin
Summary: The paper explores the potential for self-organization processes in the tribosystems of diesel engines. It introduces a criterion for determining the possibility of self-organization processes in the second-level subsystems of the tribosystems, indicating a decrease in the flow of mechanical energy in real irreversible processes. The study considers three cases of self-organization process development in the crankshaft-insert tribosystem of a diesel engine 10D100. It concludes that in order to reduce wear rate, it is necessary to facilitate energy-mass transfer on contacting surfaces through gradients of chemical potentials and dislocation density.
SCIENTIFIC REPORTS
(2023)
Article
Physics, Fluids & Plasmas
Lee Jinwoo
Summary: When a system is in equilibrium, external perturbations result in nonequilibrium distributions. Recent experiments have shown that these nonequilibrium data can contain critical information. Jinwoo and Tanaka mathematically prove that the nonequilibrium free energy profile of a process is connected to Jarzynski's work, which dissipates while molecules perform their tasks. We verify this fact numerically and provide an example of RNA translocation analysis using a computer simulation, confirming the efficiency of the process.
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
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
Physics, Multidisciplinary
Timo Kerremans, Peter Samuelsson, Patrick P. Potts
Summary: Fluctuations of thermodynamic observables are not considered in traditional laws, but they contain relevant information. We show that the first law of thermodynamics may break down in the presence of quantum fluctuations, due to constraints imposed by quantum mechanics on the knowledge of heat and work.
Article
Physics, Multidisciplinary
Ying Tang
Summary: The study shows that in driven quantum systems, the free energy change can be amplified by adding a magnetic field, and this quantum effect is reflected in an extended free energy equality, supporting the extraction of additional free energy from the magnetic field.
COMMUNICATIONS PHYSICS
(2021)