Ensemble dependence of the transient fluctuation theorem

Citation
Dj. Searles et Dj. Evans, Ensemble dependence of the transient fluctuation theorem, J CHEM PHYS, 113(9), 2000, pp. 3503-3509
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
9
Year of publication
2000
Pages
3503 - 3509
Database
ISI
SICI code
0021-9606(20000901)113:9<3503:EDOTTF>2.0.ZU;2-N
Abstract
The fluctuation theorem gives an analytical expression for the probability of observing second law violating dynamical fluctuations in nonequilibrium systems. At equilibrium, statistical mechanical fluctuations are known to b e ensemble dependent. In this paper we generalize the transient and steady- state fluctuation theorems to various nonequilibrium dynamical ensembles. T he transient and steady-state fluctuation theorem for an isokinetic ensembl e of isokinetic trajectories is tested using nonequilibrium molecular dynam ics simulations of shear flow. (C) 2000 American Institute of Physics. [S00 21-9606(00)50433-4].