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The earliest molecular dynamics simulations relied on solving the Newtonian or equivalently the Hamiltonian equations of motion for a system. While pedagogically very important as the total energy is preserved in these simulations, they…

Computational Physics · Physics 2020-06-04 M Sri Harish , Puneet Kumar Patra

This work presents a formalism to derive field quantities and conservation laws from the atomistic using the theory of distributions as the mathematical tool. By defining temperature as a derived quantity as that in molecular kinetic theory…

Statistical Mechanics · Physics 2023-11-20 Youping Chen

We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…

Statistical Mechanics · Physics 2015-06-12 Asaf Farhi , Guy Hed , Michael Bon , Nestor Caticha , Chi H Mak , Eytan Domany

We develop a thermodynamic theory for machine learning (ML) systems. Similar to physical thermodynamic systems which are characterized by energy and entropy, ML systems possess these characteristics as well. This comparison inspire us to…

Machine Learning · Computer Science 2024-04-23 Dong Zhang

Two phenomenological approaches are currently used in the study of the vitreous state. One is based on the concept of fictive temperature introduced by Tool [Jour. Research Nat. Bur. Standards 34, 199 (1945)] and recently revisited by…

Soft Condensed Matter · Physics 2008-08-20 Jean-Luc Garden , Jacques Richard , Hervé Guillou

Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pressure in molecular simulations. For computationally intensive problems such as the simulation of biomolecules, we propose to average over…

Computational Physics · Physics 2011-05-13 A. A. Samoletov , C. P. Dettmann , M. A. J. Chaplain

Probes that measure the local thermal properties of systems out of equilibrium are emerging as new tools in the study of nanoscale systems. One can then measure the temperature of a probe that is weakly coupled to a bias-driven system. By…

Strongly Correlated Electrons · Physics 2015-05-13 LvZhou Ye , Dong Hou , Xiao Zheng , YiJing Yan , Massimiliano Di Ventra

We study the thermodynamic equilibrium of matter in a wormhole `station' which connects various distinct asymptotic regions of a spacetime. An example of the `station' is a traversable wormhole connecting two distant regions. The…

General Relativity and Quantum Cosmology · Physics 2019-06-17 Hyeong-Chan Kim , Youngone Lee

We use the work done on and the heat removed from a system to maintain it in a nonequilibrium steady state for a thermodynamic-like description of such a system as well as of its fluctuations. Based on a generalized Onsager-Machlup theory…

Statistical Mechanics · Physics 2008-02-10 Tooru Taniguchi , E. G. D. Cohen

We have developed a theoretical formalism to introduce temperature as a parameter into the framework of non-relativistic quantum mechanics using the laws of classical thermodynamics and the canonical ensemble scheme of statistical…

Quantum Physics · Physics 2021-03-08 Ashkan Shekaari , Mahmoud Jafari

A large class of isolated quantum system in a pure state can equilibrate and serve as a heat bath. We show that once the equilibrium is reached, any of its subsystems that is much smaller than the isolated system is thermalized such that…

Statistical Mechanics · Physics 2014-06-13 Quntao Zhuang , Biao Wu

Local temperature defined by a local canonical state of the respective subsystem, does not always exist in quantum many body systems. Here, we give some examples of how this breakdown of the temperature concept on small length scales might…

Statistical Mechanics · Physics 2009-11-10 Michael Hartmann , Guenther Mahler

In thermal equilibrium, the fluctuation-dissipation theorem relates the linear response and correlation functions in a model and observable independent fashion. Out of equilibrium, these relations still hold if the equilibrium temperature…

Statistical Mechanics · Physics 2015-06-23 T. S. Bortolin , A. Iucci

We consider the problem of the definition of an effective temperature via the long-time limit of the fluctuation-dissipation ratio (FDR) after a quench from the disordered state to the critical point of an O(N) model with dissipative…

Statistical Mechanics · Physics 2011-02-16 Pasquale Calabrese , Andrea Gambassi

Virtually every biological rate depends on temperature, yet the resulting rate-temperature relationships often deviate strongly from simple Arrhenius behavior. In this first part of a two-part review, we survey phenomenological models used…

Quantitative Methods · Quantitative Biology 2026-03-11 Simen Jacobs , Julian Voits , Nikita Frolov , Ulrich S. Schwarz , Lendert Gelens

By considering an ensemble of Brownian particles suspended in a heat bath as a thermodynamic system with an internal degree of freedom it is possible to obtain the Fokker-Planck equation for Brownian motion in a temperature gradient, by…

Condensed Matter · Physics 2007-05-23 A. Perez-Madrid , J. M. Rubi , P. Mazur

In an attempt to derive thermodynamics from classical mechanics, an approximate expression for the equilibrium temperature of a finite system has been derived [M. Bianucci, R. Mannella, B. J. West, and P. Grigolini, Phys. Rev. E 51, 3002…

Statistical Mechanics · Physics 2015-06-24 Artur B. Adib

The condition of thermal equilibrium simplifies the theoretical treatment of fluctuations as found in the celebrated Einstein's relation between mobility and diffusivity for Brownian motion. Several recent theories relax the hypothesis of…

Statistical Mechanics · Physics 2014-04-10 Andrea Gnoli , Andrea Puglisi , Alessandro Sarracino , Angelo Vulpiani

Non-equilibrium states of quantum systems in contact with thermal baths help telling environments with different temperatures or different statistics apart. We extend these studies to a more generic problem that consists in discriminating…

Using computer simulation and analytical theory, we study an active analog of the well-known Tonks gas, where active Brownian particles are confined to a one-dimensional (1D) channel. By introducing the notion of a kinetic temperature, we…

Soft Condensed Matter · Physics 2024-01-09 Elijah Schiltz-Rouse , Hyeongjoo Row , Stewart A. Mallory