Related papers: Relaxation Augmented Free Energy Perturbation
The research deals with the studies of the velocity fields of non-equilibrium fluid filtration in a layer under harmonic action on it and assessment of the influence of relaxation effects on the attenuation of the amplitude of the initial…
Ultrafast laser excitation of a metal causes correlated, highly nonequilibrium dynamics of electronic and ionic degrees of freedom, which are however only poorly captured by the widely-used two-temperature model. Here we develop an…
The time evolution of the distribution function for a particle-hole excitation in a Fermi system was calculated using the direct numerical solution of a nonlinear diffusion equation in momentum space. A phenomenological expression for…
Turbulent motions in a fluid relax at a certain rate once stirring has stopped. The role of the most basic parameter in fluid mechanics, the Reynolds number, in setting the relaxation rate is not generally known. This paper concerns the…
We discuss several general aspects of the free energy of the standard model at high temperatures. In particular the Clausius-Clapeyron equation is shown to yield a relation between the latent heat and the jump in the order parameter. The…
We analyze the phenomenon of preheating,i.e. explosive particle production due to parametric amplification of quantum fluctuations in the unbroken case, or spinodal instabilities in the broken phase, using the Minkowski space $O(N)$ vector…
The accurate treatment of long-range energy terms such as van der Waals interactions is crucial for reliable free energy calculations in molecular simulations. Methods like force switching, potential switching, potential shifting, and Ewald…
An expression is derived for the free energy of nonideal atomic plasma, which corresponds to exact asymptotic expansions. The analytical dependence of correction for the interaction of free charges on the partition function of atom is…
The dynamics of a degree of freedom associated to an axial vector in contact with a heat bath is decribed by means of a probability distribution function obeying a Fokker-Planck equation. The equation is derived by using mesoscopic…
The thermodynamics of hot and dense matter created in heavy-ion collision experiments are usually studied as a system of infinite volume. Here we report on possible effects for considering a finite system size for such matter in the…
Fluorescence resonance energy transfer (FRET) is widely used as a 'spectroscopic ruler' to measure fluctuations in macromolecules because of the strong dependence of the rate on the separation (R) between the donor (D) and acceptor (A).…
Constitutive equations are proposed for the relaxation of a glassy material in contact with a thermal reservoir. The dynamics of a single state variable, identified as an effective temperature accounts for the emergence of glassy behavior…
Long linear polymers in dilute solutions are known to undergo a collapse transition from a random coil (expand itself) to a compact ball (fold itself up) when the temperature is lowered, or the solvent quality deteriorates. A natural model…
An intriguing phenomenon in non-equilibrium quantum thermodynamics is the asymmetry of thermal processes. Relaxation to thermal equilibrium is the most important dissipative process, being a key concept for the design of heat engines and…
We study experimentally the thermal fluctuations of energy input and dissipation in a harmonic oscillator driven out of equilibrium, and search for Fluctuation Relations. We study transient evolution from the equilibrium state, together…
A new simulated tempering method, which is referred to as simulated tempering umbrella sampling, for calculating the free energy of chemical reactions is proposed. First principles molecular dynamics simulations with this simulated…
The quark contribution to the free energy of a hot quark-gluon plasma is calculated to leading order in hard-thermal-loop (HTL) perturbation theory. This method selectively resums higher order corrections associated with plasma effects,…
Estimating free-energy differences using nonequilibrium work relations, such as the Jarzynski equality, is hindered by poor convergence when work fluctuations are large. For systems governed by overdamped Langevin dynamics, we propose the…
This article describes nonequilibrium techniques for the calculation of free energies of solids using molecular dynamics (MD) simulations. These methods provide an alternative to standard equilibrium thermodynamic integration methods and…
Understanding mechanisms for energy dissipation from nanoparticles in contact with large samples is a central problem in describing friction microscopically. Calculation of the reduced density matrix appears to be the most suitable metho to…