Related papers: Free energy surfaces from nonequilibrium processes…
A statistical theory is presented which allows to calculate the stationary state achieved by a driven system after a process of collisionless relaxation. The theory is applied to study an electron beam driven by an external electric field.…
Microscopic machines utilize free energy to create and maintain out-of-equilibrium organization in virtually all living things. Often this takes the form of converting the free energy stored in nonequilibrium chemical potential differences…
One reason that free energy difference calculations are notoriously difficult in molecular systems is due to insufficient conformational overlap, or similarity, between the two states or systems of interest. The degree of overlap is…
In this paper we develop a generalized formalism for equilibrium thermodynamic systems when an information is shared between the system and the reservoir. The information results in a correction to the entropy of the system. This extension…
Out of thermal equilibrium, an environment imposes effective mechanical forces on microscopical nanofabricated devices, chemical or biological systems. Here we address the question of how to calculate these forces together with the response…
We consider the task of extracting work from quantum systems in the resource theory perspective of thermodynamics, where free states are arbitrary thermal states, and allowed operations are energy conserving unitary transformations. Taking…
We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the…
The equilibria formed by the self-gravitating, collisionless collapse of simple initial conditions have been investigated for decades. We present the results of our attempts to describe the equilibria formed in $N$-body simulations using…
In this short communication, I give a very simple derivation of the Jarzynski equality, which allows to compute the free energy difference of a body, which is driven between two equilibrium states $A$ and $B$ by an external (time-dependent)…
We study the formation of coherent structures in a system with long-range interactions where particles moving on a circle interact through a repulsive cosine potential. Non equilibrium structures are shown to correspond to statistical…
We propose a method of free energy calculation for a system of interacting particles arranged in a Bravais lattice. It will be shown how to treat divergences for infinite unbounded systems with "catastrophic" potetntials like Coulomb and…
Self-propulsion allows living systems to display unusual collective behavior. Unlike passive systems in thermal equilibrium, active matter systems are not constrained by conventional thermodynamic laws. A question arises however as to what…
We derive the bias function that minimizes the statistical error of free energy differences calculated in work-biased fast-switching simulations. The optimum bias function is compared to other bias functions using a particle pulled through…
A measurement can extract work from an entangled, e.g., two-mode system. Here, we inquire the extracted work when no intellectual creature, like an ancilla/daemon, is present. When the monitoring is carried out by the environmental modes,…
Active systems comprise a class of nonequilibrium dynamics in which individual components autonomously dissipate energy. Efforts towards understanding the role played by activity have centered on computation of the entropy production rate…
The microscopic approach to calculating the free energy of a three-dimensional Ising-like system in a homogeneous external field is developed in the higher non-Gaussian approximation (the $\rho^6$ model) at temperatures above the critical…
The free energy of the supersymmetric $t-J$ model is expressed in terms of finite temperature excitations above thermodynamic equilibrium. This reveals that the free energy has the form of noninteracting fermions with temperature dependant…
The statistical properties of turbulent flows are fundamentally different from those of systems at equilibrium due to the presence of an energy flux from the scales of injection to those where energy is dissipated by the viscous forces: a…
We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to…
Ergotropy, as a measure for extractable work from a quantum system, has garnered significant attention due to its relevance in quantum thermodynamics and information processing. In this work, the dynamics of ergotropy will be investigated…