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We extend the energetic variational approach so it can be applied to a chemical reaction system with general mass action kinetics. Our approach starts with an energy-dissipation law. We show that the chemical equilibrium is determined by…

化学物理 · 物理学 2021-01-04 Yiwei Wang , Chun Liu , Pei Liu , Bob Eisenberg

Extremal principles are fundamental in our interpretation of phenomena in nature. One of the best known examples is the second law of thermodynamics, governing most physical and chemical systems and stating the continuous increase of…

统计力学 · 物理学 2007-05-23 Dirk Helbing , Tamas Vicsek

Linking the microscopic and macroscopic behavior is at the heart of many natural and social sciences. This apparent similarity conceals essential differences across disciplines: while physical particles are assumed to optimize the global…

物理与社会 · 物理学 2009-12-09 Sébastian Grauwin , Eric Bertin , Rémi Lemoy , Pablo Jensen

The Energy-Dissipation Principle provides a variational tool for the analysis of parabolic evolution problems: solutions are characterized as so-called null-minimizers of a global functional on entire trajectories. This variational…

偏微分方程分析 · 数学 2021-09-14 Luca Scarpa , Ulisse Stefanelli

The quest on how to collectively self-organize in order to maximize the survival chances of the members of a social group requires finding an optimal compromise between maximizing the well-being of an individual and that of the group. Here…

软凝聚态物质 · 物理学 2021-12-08 Alexandra V. Zampetaki , Benno Liebchen , Alexei V. Ivlev , Hartmut Löwen

Collective phenomena in strongly nonequilibrium systems interacting with electromagnetic field are considered. Such systems are described by complicated nonlinear differential or integro-differential equations. The aim of this review is to…

凝聚态物理 · 物理学 2007-05-23 V. I. Yukalov , E. P. Yukalova

We demonstrate and characterize a first-principles approach to modeling the mass action dynamics of metabolism. Starting from a basic definition of entropy expressed as a multinomial probability density using Boltzmann probabilities with…

化学物理 · 物理学 2024-07-10 William R. Cannon , Samuel Britton , Mikahl Banwarth-Kuhn , Mark Alber

Extremal principles can generally be divided into two rather distinct classes. There are, on the one hand side, formulations based on the Lagrangian or Hamiltonian mechanics, respectively, dealing with time dependent problems, but…

计算工程、金融与科学 · 计算机科学 2023-11-08 Klaus Hackl , Jiří Svoboda , Franz Dieter Fischer

We analyze a category of problems that is of interest in many physical situations, including those encountered in introductory physics classes: systems with two well-delineated parts that exchange energy, eventually reaching a shared…

经典物理 · 物理学 2019-10-31 Jonathan Bougie , Asim Gangopadhyaya

In the variational principle leading to the Euler equation for a perfect fluid, we can use the method of undetermined multiplier for holonomic constraints representing mass conservation and adiabatic condition. For a dissipative fluid, the…

流体动力学 · 物理学 2012-06-03 Hiroki Fukagawa , Youhei Fujitani

Extracting governing physical laws from computational or experimental data is crucial across various fields such as fluid dynamics and plasma physics. Many of those physical laws are dissipative due to fluid viscosity or plasma collisions.…

计算物理 · 物理学 2026-02-11 Yubin Lu , Xiaofan Li , Chun Liu , Qi Tang , Yiwei Wang

A variational principle is further developed for out of equilibrium dynamical systems by using the concept of maximum entropy. With this new formulation it is obtained a set of two first-order differential equations, revealing the same…

数据分析、统计与概率 · 物理学 2019-03-22 Mario J. Pinheiro

Natural selection has shaped the evolution of cells and multi-cellular organisms such that social cooperation can often be preferred over an individualistic approach to metabolic regulation. This paper extends a framework for dynamic…

分子网络 · 定量生物学 2021-01-28 David S. Tourigny

The field-dependent equilibrium thermodynamics is derived with two methods: either by using the potential formalism either by the statistical method. Therefore, Pontrjagin's extremum principle of control theory is applied to an extended…

综合物理 · 物理学 2007-05-23 W. D. Bauer

The maximum entropy principle determines the values of thermodynamic variables in thermally isolated equilibrium systems. This paper extends the principle to a variational principle that applies to liquid-gas coexistence in heat conduction.…

统计力学 · 物理学 2024-12-30 Naoko Nakagawa , Shin-ichi Sasa

A theoretical framework is proposed for an energy decomposition scheme along the reaction coordinate, in which the ensemble average of the potential energy weighted with reactive flux intensity is decomposed into energy components at the…

化学物理 · 物理学 2022-03-04 Wenjin Li

In this PhD thesis, we explore and apply methods inspired by the free energy principle to two important areas in machine learning and neuroscience. The free energy principle is a general mathematical theory of the necessary…

人工智能 · 计算机科学 2021-08-31 Beren Millidge

This study examines a new formulation of non-equilibrium thermodynamics, which gives a conditional derivation of the ``maximum entropy production'' (MEP) principle for flow and/or chemical reaction systems at steady state. The analysis uses…

种群与进化 · 定量生物学 2009-08-25 Robert K. Niven

Many biological functions require the dynamics to be necessarily driven out-of-equilibrium. In contrast, in various contexts, a nonequilibrium dynamics at fast timescales can be described by an effective equilibrium dynamics at a slower…

统计力学 · 物理学 2020-11-18 Amit Singh Vishen

Fluid dynamics accompanies with the entropy production thus increases the local temperature, which plays an important role in charged systems such as the ion channel in biological environment and electrodiffusion in capacitors/batteries. In…

流体动力学 · 物理学 2017-11-09 Pei Liu , Simo Wu , Chun Liu
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