Article
Engineering, Multidisciplinary
C. Giorgi, E. Vuk
Summary: Within the framework of continuum thermodynamics, this paper presents a scheme for studying large deformations in piezo-ferroelectric materials. The ferroelectric polarization is decomposed into reversible and residual parts, with the residual part treated as an independent variable. The modeling of constitutive properties is simplified using referential, Euclidean invariant quantities. A new model is proposed that relates the residual polarization rate to the 'electric Gibbs free entropy'. This model is based on the Landau-Devonshire approach and provides explicit expressions for anisotropic materials.
APPLIED MATHEMATICAL MODELLING
(2023)
Article
Mechanics
Gergely Molnar, Aurelien Doitrand, Adrien Jaccon, Benoit Prabel, Anthony Gravouil
Summary: This paper presents an energetically consistent linear damage gradient model in Abaqus. The optimization with bound constraints is achieved using Lagrange multipliers as an additional degree of freedom. We demonstrate that when the necessary energy corrections are applied, the phase-field simulations are in agreement with the analytical results of linear elastic fracture mechanics. Furthermore, through elaborate benchmark tests, we verify our code and experimentally validate the implementation.
ENGINEERING FRACTURE MECHANICS
(2022)
Article
Mathematics, Applied
Robert Lasarzik
Summary: This paper proves the existence of generalized solutions to a thermodynamically consistent Navier-Stokes-Cahn-Hilliard model in any space dimension, using measure-valued and dissipative solutions. The measure-valued formulation includes entropy and energy inequalities, while the dissipative formulation replaces distributional relations with a relative energy inequality. Weak-strong uniqueness of the proposed solution concepts is also demonstrated.
NONLINEAR ANALYSIS-THEORY METHODS & APPLICATIONS
(2021)
Article
Mechanics
Jisheng Kou, Xiuhua Wang, Amgad Salama, Yunjin Hu
Summary: This study introduces the concept of free energies and derives a consistent model for immiscible gas-liquid two-phase flow in porous media based on the second law of thermodynamics. Experimental verification supports the proposed free energies and gas flow model.
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
Physics, Multidisciplinary
Xiaobo Jing, Qi Wang
Summary: We propose a constructive paradigm for deriving thermodynamically consistent models that couple bulk and surface dynamics hierarchically based on the generalized Onsager principle. The paradigm is illustrated using a phase field model for binary materials, and different mobility operators and free energies are shown to influence the dynamics of both the surface and bulk.
Article
Materials Science, Multidisciplinary
J. Lund, K. S. N. Vikrant, C. M. Bishop, W. Rheinheimer, R. E. Garcia
Summary: A generalized framework incorporating various free energy contributions is presented to describe the Space Charge Layer (SCL) and its effect on transport properties in ionic ceramics. While existing analytical and ideal solution models can capture SCL, they fall short in highly doped systems. In contrast, MDS and VCG models provide more accurate descriptions of concentration-dependent electrical conductivity with smaller cumulative errors.
Article
Engineering, Mechanical
Chenguang Liang, Yan Yin, Wenxuan Wang, Min Yi
Summary: In this work, a thermodynamically consistent non-isothermal phase-field model (PFM) is proposed to study the microstructure evolution during selective laser sintering (SLS) process. The model takes into account the temperature gradient effect, which is difficult to handle by traditional isothermal models. Experimental results are used to determine the temperature-dependent parameters in the free energy formulation, and it is found that the traditional isothermal PFM fails to capture grain boundary migration phenomenon.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Article
Polymer Science
Xu-Ze Zhang, Zhong-Yuan Lu, Hu-Jun Qian
Summary: In this study, a structure-based iterative Boltzmann inversion (IBI) method is developed and applied to obtain temperature transferable and thermodynamically consistent coarse-grained potentials for binary polymer systems. The obtained potentials show good agreement with atomistic simulations and experimental results over a wide range of temperatures and compositions, providing an effective tool for simulating polymer systems at larger length and time scales.
Article
Engineering, Multidisciplinary
Sijia Liu, Yunteng Wang, Chong Peng, Wei Wu
Summary: A new phase field model is proposed to simulate mixed-mode fracture phenomena in rock-like materials, which has been successfully validated. The model can capture different fracture modes, providing stable numerical results and fast numerical convergence.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2022)
Article
Chemistry, Physical
Claudio Giorgi, Angelo Morro
Summary: The hysteresis models for ferromagnetic materials are established using a thermodynamic approach. The constitutive properties must comply with the second law and the Euclidean invariance. The representation of magnetic field and magnetization is done using invariant vectors. The article also provides a detailed model for the magnetization function and solves nonlinear ordinary differential equations to obtain hysteresis cycles.
Article
Materials Science, Multidisciplinary
B. D. Reddy, P. Steinmann, A. Kergassner
Summary: This study proposes a stress-gradient theory model embedded in a thermodynamically consistent framework, explores its application in single-crystal plasticity, and compares its behavior with a recent disequilibrium density model of size-dependent plasticity.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2021)
Article
Physics, Particles & Fields
D. J. Zamora, C. Tsallis
Summary: Entropic-force cosmology provides a concrete physical understanding of the universe's accelerated expansion, examining the effects of including a subdominant power-law term, and scaling entropy with an arbitrary power of the Hubble radius to compare models.
EUROPEAN PHYSICAL JOURNAL C
(2022)
Article
Multidisciplinary Sciences
Han Tao, Carlo Rigoni, Hailong Li, Antti Koistinen, Jaakko V. I. Timonen, Jiancheng Zhou, Eero Kontturi, Orlando J. Rojas, Guang Chu
Summary: In this study, a series of heterogeneous colloidal suspensions are developed to exhibit both liquid-liquid phase separation of semiflexible binary polymers and liquid crystal phase separation of rigid, rod-like nanocellulose particles. The phase behavior of the multicomponent mixture is controlled by the trade-off between thermodynamics and kinetics during the two transition processes, showing cholesteric self-assembly of nanocellulose within or across the compartmented aqueous phases. The multicomponent mixture undergoes hierarchical self-assembly of nanocellulose and polymers into stratified cholesteric films upon drying, exhibiting compartmentalized polymer distribution and anisotropic microporous structure.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Arman Afshar, Claudio V. Di Leo
Summary: The developed phase-field finite strain theory addresses the coupling of species transport, sharp interface reactions, mechanical deformation, and stress in solid mechanics. It can be applied to modeling conversion electrodes for energy storage and has shown good qualitative agreement with experimental observations in studying chemical reactions. The theory provides insights into the morphology of sharp reaction interfaces and stress generation, highlighting the critical role of mechanics in material degradation.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2021)
Article
Physics, Multidisciplinary
Matthias Uhl, Volker Weissmann, Udo Seifert
Summary: This paper introduces an iterative calculation scheme for obtaining the propagator of potentials with a finite number of steps. For a single potential step, the method converges after one iteration. In other cases, the iteration results in an approximation that holds for times smaller than a characteristic timescale.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2021)
Article
Physics, Mathematical
Oliver Niggemann, Udo Seifert
Summary: This study tests a general framework for the field-theoretic thermodynamic uncertainty relation by directly simulating the KPZ equation, and finds good agreement with analytical predictions under the weak coupling limit. However, the accuracy of numerical results varies with the choice of discretization of the KPZ non-linearity, and an inherent limitation to the accuracy of the total entropy production approximation is discovered, which is explained to be an intrinsic property of the discretization scheme used.
JOURNAL OF STATISTICAL PHYSICS
(2021)
Article
Physics, Multidisciplinary
Lukas Oberreiter, Udo Seifert, Andre C. Barato
Summary: A thermodynamically consistent model for discrete time crystals is introduced and analyzed using stochastic thermodynamics. The study reveals that coherent oscillations can emerge even in the absence of synchronization. The mean-field model displays subharmonic synchronization while the 2D model shows a time-crystalline phase.
PHYSICAL REVIEW LETTERS
(2021)
Article
Physics, Multidisciplinary
Timur Koyuk, Udo Seifert
Summary: The thermodynamic uncertainty relation allows inferring total entropy production rate by observing current or state variables. Suitable observables can be found for estimating total entropy production in both fast and slow driving cases. The uncertainty relation can even be saturated in the limit of fast driving.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2021)
Article
Physics, Mathematical
Oliver Niggemann, Udo Seifert
Summary: Investigation on the thermodynamic uncertainty relation in the (1 + 1) dimensional KPZ equation with finite spatial interval reveals two distinct regimes of the relation separated by a critical coupling parameter. Analytical exploration of the asymptotic behavior below and above the critical threshold is presented, along with comparison to numerical simulations.
JOURNAL OF STATISTICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Jann van der Meer, Benjamin Ertel, Udo Seifert
Summary: This work investigates the waiting time distributions between consecutive transitions in a partially observable Markov network. An entropy estimator is formulated using the ratios of waiting time distributions to quantify irreversibility. Depending on the complexity of the underlying network, criteria are formulated to infer whether the entropy estimator recovers the full physical entropy production or provides a lower bound. Additionally, estimators for the network topology are derived using an equivalent semi-Markov description. The study provides a unifying mathematical framework for entropy estimators and clarifies the meaning of formal versus physical irreversibility.
Article
Physics, Multidisciplinary
Josip Augustin Janes, Cornelia Monzel, Daniel Schmidt, Rudolf Merkel, Udo Seifert, Kheya Sengupta, Ana-Suncana Smith
Summary: This article investigates the influence of active fluctuations on reaction kinetics in a medium, using the cell membrane as a paradigmatic example. By deriving binding and unbinding rates from first principles and establishing a model that incorporates both thermal fluctuations and active fluctuations, the authors show that these fluctuations directly impact protein association and dissociation rates.
Article
Physics, Multidisciplinary
Timur Koyuk, Udo Seifert
Summary: This paper investigates the properties of the thermodynamic uncertainty relation (TUR) in complex systems with many degrees of freedom. By analyzing the entropy production of mixtures of driven particles, an explicit expression for the optimal estimate of total entropy production is derived and applied to driven lattice gases.
PHYSICAL REVIEW LETTERS
(2022)
Article
Biochemistry & Molecular Biology
Benjamin Ertel, Jann van der Meer, Udo Seifert
Summary: In this study, we propose a method to extract the step size and stalling force of a molecular motor without relying on external control parameters. The method is non-invasive, operationally accessible in experiments, and can potentially be applied to any model describing the dynamics of molecular motors. Our results are confirmed by extensive numerical simulations.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Physics, Multidisciplinary
Jann van der Meer, Julius Deguenther, Udo Seifert
Summary: Irreversibility is quantified by entropy production, which can be estimated through measuring antisymmetric observables like current. A general framework is introduced to infer a lower bound on entropy production by measuring time-resolved statistics of events with any symmetry under time reversal, including time-symmetric instantaneous events. Markovianity is emphasized as a property of certain events rather than the full system, and an operationally accessible criterion for this weakened Markov property is introduced. The approach is based on snippets, which are particular sections of trajectories between two Markovian events, and a generalized detailed balance relation is discussed.
PHYSICAL REVIEW LETTERS
(2023)
Article
Physics, Fluids & Plasmas
Lukas Oberreiter, Udo Seifert, Andre C. Barato
Summary: Biochemical clocks are crucial for all living systems and can only oscillate coherently for a limited number of times when isolated from external signals and subject to fluctuations. Moreover, these clocks can only oscillate if they consume free energy. We propose a universal bound that determines the minimum amount of free energy required for a certain number of coherent oscillations.
Article
Physics, Fluids & Plasmas
Benjamin Ertel, Jann van der Meer, Udo Seifert
Summary: This article discusses the relationship between entropy production and mean and variance of steady-state currents in semi-Markov processes, as well as the uncertainty relation in coarse-grained Markov processes generated by semi-Markov descriptions. The article introduces a crucial condition in thermodynamic consistency and presents some alternative derivations of results.
Article
Physics, Fluids & Plasmas
Benedikt Remlein, Volker Weissmann, Udo Seifert
Summary: In this study, we analytically determine the quality factor of oscillations induced by driven Fokker-Planck dynamics along a periodic one-dimensional potential in a noisy environment. We extend this approach to investigate motion along a noisy two-dimensional limit cycle and apply it to the Stuart-Landau oscillator and the Brusselator chemical clock model. Our approach complements the existing framework based on Hamilton-Jacobi theory and is compared with numerical results.
Article
Physics, Fluids & Plasmas
Benedikt Remlein, Udo Seifert
Summary: The study shows that for a system with discrete states, achieving an optimal driving process involves nonconservative driving, unlike in systems with continuous states. In a multicyclic network, the optimal driving affinity is limited by the number of states within each cycle.
Article
Physics, Fluids & Plasmas
Basile Nguyen, Udo Seifert
