Search results for "non-equilibrium thermodynamics"
showing 10 items of 122 documents
Reinforcement learning approach to nonequilibrium quantum thermodynamics
2021
We use a reinforcement learning approach to reduce entropy production in a closed quantum system brought out of equilibrium. Our strategy makes use of an external control Hamiltonian and a policy gradient technique. Our approach bears no dependence on the quantitative tool chosen to characterize the degree of thermodynamic irreversibility induced by the dynamical process being considered, require little knowledge of the dynamics itself and does not need the tracking of the quantum state of the system during the evolution, thus embodying an experimentally non-demanding approach to the control of non-equilibrium quantum thermodynamics. We successfully apply our methods to the case of single- …
Casimir-Lifshitz force out of thermal equilibrium between dielectric gratings
2014
We calculate the Casimir-Lifshitz pressure in a system consisting of two different 1D dielectric lamellar gratings having two different temperatures and immersed in an environment having a third temperature. The calculation of the pressure is based on the knowledge of the scattering operators, deduced using the Fourier Modal Method. The behavior of the pressure is characterized in detail as a function of the three temperatures of the system as well as the geometrical parameters of the two gratings. We show that the interplay between non-equilibrium effects and geometrical periodicity offers a rich scenario for the manipulation of the force. In particular, we find regimes where the force can…
Temperature dependent mechanical unfolding of calixarene nanocapsules studied by molecular dynamics simulations.
2019
Using atomistic molecular dynamics simulations, we study the temperature dependence of the mechanical unfolding of a model supramolecular complex, a dimer of interlocked calixarene capsules. This system shows reversible transitions between two conformations that are stabilized by different networks of hydrogen bonds. We study the forced dissociation and formation of these networks as a function of temperature and find a strong impact of the nonequilibrium conditions imposed by pulling the system mechanically. The kinetics of the transition between the two conformations is ideally suited to investigate the range of validity of the stochastic models employed in the analysis of force dependent…
Lagrangian simulations of stable isotopes in water vapor: An evaluation of nonequilibrium fractionation in the Craig-Gordon model
2009
[1] The Craig-Gordon model is the basis for the parameterization of water isotope fractionation during evaporation from the ocean in many atmospheric isotope models. Its exact formulation (e.g., with respect to the nonequilibrium fractionation factor k) is mainly based on theoretical considerations and not very well constrained by observations. This study addresses this issue by combining a recently developed Lagrangian moisture source analysis with a Craig-Gordon fractionation parameterization for the identified evaporation events in order to model isotope ratios in water vapor. This technique is applied to 45 measurement days of isotopes in water vapor at Rehovot (Israel) during the years…
First-principles nonequilibrium Green's-function approach to transient photoabsorption: Application to atoms
2015
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and duration as well as for overlapping and nonoverlapping pump and probe pulses. The electron-electron repulsion is accounted for by the correlation self-energy, and the resulting numerical scheme deals with matrices that scale quadratically with the system size. Two recent experiments, the first on helium and the second on krypton, are addressed. For the first experiment we explain the bending of the Autler-Townes absorption peaks with increasing the pump-probe d…
Exponential Relaxation out of Nonequilibrium
1989
Simulation results are presented for a quench from a disordered state to a state below the coexistence curve. The model which we consider is the Ising model but with the dynamics governed by the Swendsen-Wang transition probabilities. We show that the resulting domain growth has an exponential instead of a power law behaviour and that the system is non-self-averaging while in nonequilibrium. The simulations were carried out on a parallel computer with up to 128 processors.
Hysteretic nonequilibrium Ising-Bloch transition
2005
We show that a parametrically driven cubic-quintic complex Ginzburg-Landau equation exhibits a hysteretic nonequilibrium Ising-Bloch transition for large enough quintic nonlinearity. These results help to understand the recent experimental observation of this pheomenon [A. Esteban-Martin et al., Phys. Rev. Lett. 94, 223903 (2005)].
Driven Brownian particle as a paradigm for a nonequilibrium heat bath: Effective temperature and cyclic work extraction
2017
We apply the concept of a frequency-dependent effective temperature based on the fluctuation-dissipation ratio to a driven Brownian particle in a nonequilibrium steady state. Using this system as a thermostat for a weakly coupled harmonic oscillator, the oscillator thermalizes according to a canonical distribution at the respective effective temperature across the entire frequency spectrum. By turning the oscillator from a passive "thermometer" into a heat engine, we realize the cyclic extraction of work from a single thermal reservoir, which is feasible only due to its nonequilibrium nature.
A logarithmic fourth-order parabolic equation and related logarithmic Sobolev inequalities
2006
A logarithmic fourth-order parabolic equation in one space dimension with periodic boundary conditions is studied. This equation arises in the context of fluctuations of a stationary nonequilibrium interface and in the modeling of quantum semiconductor devices. The existence of global-in-time non-negative weak solutions and some regularity results are shown. Furthermore, we prove that the solution converges exponentially fast to its mean value in the ``entropy norm'' and in the Fisher information, using a new optimal logarithmic Sobolev inequality for higher derivatives. In particular, the rate is independent of the solution and the constant depends only on the initial value of the entropy.
Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts
2020
The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying dynamical processes in the diffusive, non-inertial regime. The central quantity in these approaches is the mobility function, which describes the effect of chain connectivity on the nonlocal response of monomers to thermodynamic driving fields. In a recent study [Mantha et al, Macromolecules 53, 3409 (2020)], we have developed a method to systematically construct mobility functions from reference fine-grained simulations. Here we focus on melts of linear chains …