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Free energy surfaces from nonequilibrium processes without work measurement.

作者信息

Adib Artur B

机构信息

Department of Physics, Brown University, Providence, Rhode Island 02912, USA.

出版信息

J Chem Phys. 2006 Apr 14;124(14):144111. doi: 10.1063/1.2188946.

Abstract

Recent developments in statistical mechanics have allowed the estimation of equilibrium free energies from the statistics of work measurements during processes that drive the system out of equilibrium. Here a different class of processes is considered, wherein the system is prepared and released from a nonequilibrium state, and no external work is involved during its observation. For such "clamp-and-release" processes, a simple strategy for the estimation of equilibrium free energies is offered. The method is illustrated with numerical simulations and analyzed in the context of tethered single-molecule experiments.

摘要

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