Entropy and density of states from isoenergetic nonequilibrium processes

Details Entropy and density of states from isoenergetic nonequilibrium processes Entropy and density of states from isoenergetic nonequilibrium processes

2004-08-03

arxiv.org/abs/cond-mat/0408078v2

Phys. Rev. E 71, 056128 (2005)

Physics

Condensed Matter

Statistical Mechanics

5 pages, no figures

Scientific paper

10.1103/PhysRevE.71.056128

Two identities in statistical mechanics involving entropy differences (or ratios of density of states) at constant energy are derived. The first provides a nontrivial extension of the Jarzynski equality to the microcanonical ensemble [C. Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)], which can be seen as a ``fast-switching'' version of the adiabatic switching method for computing entropies [M. Watanabe, W. P. Reinhardt, Phys. Rev. Lett. 65, 3301 (1990)]. The second is a thermodynamic integration formula analogous to a well-known expression for free energies, and follows after taking the quasistatic limit of the first. Both identities can be conveniently used in conjunction with a scaling relation (herein derived) that allows one to extrapolate measurements taken at a single energy to a wide range of energy values. Practical aspects of these identities in the context of numerical simulations are discussed.

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