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Christopher Jarzynski

Publications and source records attributed to Christopher Jarzynski.

At least 73 records · Page 4Linked to original sources
arXiv2011

Escorted free energy simulations

We describe a strategy to improve the efficiency of free energy estimates by reducing dissipation in nonequilibrium Monte Carlo simulations. This strategy generalizes the targeted free energy perturbation approach [Phys. Rev. E. 65, 046122, 2002] to nonequilibrium switching simulations, and involves generating artificial, "escorted" trajectories by coupling the evolution of the system to updates in external work parameter. Our central results are: (1) a generalized fluctuation theorem for the escorted trajectories, and (2) estimators for the free energy difference Delta F in terms of these trajectories. We illustrate the method and its effectiveness on model systems.

cond-mat.stat-mech↗
arXiv2010

Nonequilibrium thermodynamics at the microscale: Work relations and the second law

For macroscopic systems, the second law of thermodynamics establishes an inequality between the amount of work performed on a system in contact with a thermal reservoir, and the change in its free energy. For microscopic systems, this result must be considered statistically, as fluctuations around average behavior become substantial. In recent years it has become recognized that these fluctuations satisfy a number of strong and unexpected relations, which remain valid even when the system is driven far from equilibrium. We discuss these relations, and consider what they reveal about the second law of thermodynamics and the nature of irreversibility at the microscale.

cond-mat.stat-mech↗
arXiv2009

Dissipation and lag in irreversible processes

When a system is perturbed by the variation of external parameters, a lag generally develops between the actual state of the system and the equilibrium state corresponding to the current parameter values. We establish a microscopic, quantitative relation between this lag and the dissipated work that accompanies the process. We illustrate this relation using a model system.

cond-mat.stat-mech↗
arXiv2009

Exact formula for currents in strongly pumped diffusive systems

We analyze a generic model of mesoscopic machines driven by the nonadiabatic variation of external parameters. We derive a formula for the probability current; as a consequence we obtain a no-pumping theorem for cyclic processes satisfying detailed balance and demonstrate that the rectification of current requires broken spatial symmetry.

cond-mat.stat-mech↗
arXiv2009

An illustrative example of the relationship between dissipation and relative entropy

Kawai, Parrondo, and Van den Broeck [Phys. Rev. Lett. 98, 080602 (2007)] have recently established a quantitative relationship between dissipated work and a microscopic, information-theoretic measure of irreversibility. We illustrate this result using the exactly solvable system of a Brownian particle in a dragged harmonic trap.

cond-mat.stat-mech↗
arXiv2008

Directed flow in non-adiabatic stochastic pumps

We analyze the operation of a molecular machine driven by the non-adiabatic variation of external parameters. We derive a formula for the integrated flow from one configuration to another, obtain a "no-pumping theorem" for cyclic processes with thermally activated transitions, and show that in the adiabatic limit the pumped current is given by a geometric expression.

cond-mat.stat-mech↗
arXiv2008

Escorted Free Energy Simulations: Improving Convergence by Reducing Dissipation

Nonequilibrium, ``fast switching'' estimates of equilibrium free energy differences, Delta F, are often plagued by poor convergence due to dissipation. We propose a method to improve these estimates by generating trajectories with reduced dissipation. Introducing an artificial flow field that couples the system coordinates to the external parameter driving the simulation, we derive an identity for Delta F in terms of the resulting trajectories. When the flow field effectively escorts the system along a near-equilibrium path, the free energy estimate converges efficiently and accurately. We illustrate our method on a model system, and discuss the general applicability of our approach.

cond-mat.stat-mech↗
arXiv2007

Comparison of work fluctuation relations

We compare two predictions regarding the microscopic fluctuations of a system that is driven away from equilibrium: one due to Crooks [J. Stat. Phys. 90, 1481 (1998)] which has gained recent attention in the context of nonequilibrium work and fluctuation theorems, and an earlier, analogous result obtained by Bochkov and Kuzovlev [Zh. Eksp. Teor. Fiz. 72(1), 238247 (1977)]. Both results quantify irreversible behavior by comparing probabilities of observing particular microscopic trajectories during thermodynamic processes related by time-reversal, and both are expressed in terms of the work performed when driving the system away from equilibrium. By deriving these two predictions within a single, Hamiltonian framework, we clarify the precise relationship between them, and discuss how the different definitions of work used by the two sets of authors gives rise to different physical interpretations. We then obtain a extended fluctuation relation that contains both the Crooks and the Bochkov-Kuzovlev results as special cases.

cond-mat.stat-mech↗
arXiv2007

Fluctuation relations and coarse-graining

We consider the application of fluctuation relations to the dynamics of coarse-grained systems, as might arise in a hypothetical experiment in which a system is monitored with a low-resolution measuring apparatus. We analyze a stochastic, Markovian jump process with a specific structure that lends itself naturally to coarse-graining. A perturbative analysis yields a reduced stochastic jump process that approximates the coarse-grained dynamics of the original system. This leads to a non-trivial fluctuation relation that is approximately satisfied by the coarse-grained dynamics. We illustrate our results by computing the large deviations of a particular stochastic jump process. Our results highlight the possibility that observed deviations from fluctuation relations might be due to the presence of unobserved degrees of freedom.

cond-mat.stat-mech↗
arXiv2006

Comparison of far-from-equilibrium work relations

Recent theoretical predictions and experimental measurements have demonstrated that equilibrium free energy differences can be obtained from exponential averages of nonequilibrium work values. These results are similar in structure, but not equivalent, to predictions derived nearly three decades ago by Bochkov and Kuzovlev, which are also formulated in terms of exponential averages but do not involve free energy differences. In the present paper the relationship between these two sets of results is elucidated, then illustrated with an undergraduate-level solvable model. The analysis also serves to clarify the physical interpretation of different definitions of work that have been used in the context of thermodynamic systems driven away from equilibrium.

cond-mat.stat-mech↗
arXiv2006

Path-integral analysis of fluctuation theorems for general Langevin processes

We examine classical, transient fluctuation theorems within the unifying framework of Langevin dynamics. We explicitly distinguish between the effects of non-conservative forces that violate detailed balance, and non-autonomous dynamics arising from the variation of an external parameter. When both these sources of nonequilibrium behavior are present, there naturally arise two distinct fluctuation theorems.

cond-mat.stat-mech↗
arXiv2006

Rare events and the convergence of exponentially averaged work values

Equilibrium free energy differences are given by exponential averages of nonequilibrium work values; such averages, however, often converge poorly, as they are dominated by rare realizations. I show that there is a simple and intuitively appealing description of these rare but dominant realizations. This description is expressed as a duality between ``forward'' and ``reverse'' processes, and provides both heuristic insights and quantitative estimates regarding the number of realizations needed for convergence of the exponential average. Analogous results apply to the equilibrium perturbation method of estimating free energy differences. The pedagogical example of a piston and gas [R.C. Lua and A.Y. Grosberg, J. Phys. Chem. B vol. 109, p. 6805 (2005)] is used to illustrate the general discussion.

cond-mat.stat-mech↗
arXiv2006

On the work distribution for the adiabatic compression of a dilute classical gas

We consider the adiabatic and quasi-static compression of a dilute classical gas, confined in a piston and initially equilibrated with a heat bath. We find that the work performed during this process is described statistically by a gamma distribution. We use this result to show that the model satisfies the non-equilibrium work and fluctuation theorems, but not the flucutation-dissipation relation. We discuss the rare but dominant realizations that contribute most to the exponential average of the work, and relate our results to potentially universal work distributions.

cond-mat.stat-mech↗
arXiv2004

Unbiased estimators for spatial distribution functions of classical fluids

We use a statistical-mechanical identity closely related to the familiar virial theorem, to derive unbiased estimators for spatial distribution functions of classical fluids. In particular, we obtain estimators for both the fluid density rho(r) in the vicinity of a fixed solute, and for the pair correlation g(r) of a homogeneous classical fluid. We illustrate the utility of our estimators with numerical examples, which reveal advantages over traditional histogram-based methods of computing such distributions.

cond-mat.stat-mech↗
arXiv2001

Quantum Chaotic Environments, The Butterfly Effect, And Decoherence

We investigate the sensitivity of quantum systems that are chaotic in a classical limit, to small perturbations of their equations of motion. This sensitivity, originally studied in the context of defining quantum chaos, is relevant to decoherence in situations when the environment has a chaotic classical counterpart.

quant-ph↗