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Isobaric–isothermal fluctuation theorem

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Date

2002-04-22

Authors

Mittag, Emil
Searles, Debra J.
Evans, Denis J.

Journal Title

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Volume Title

Publisher

American Institute of Physics (AIP)

Abstract

The fluctuation theorem (FT) gives an analytical expression for the probability that in a finite nonequilibrium system observed for a finite time, the Second Law of Thermodynamics is violated. Since FT deals with fluctuations, the precise form of the theorem is dependent on the particular statistical mechanical ensemble. In the present paper we describe the application of the FT to the isothermal–isobaric ensemble.

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Keywords

Keywords: Calculations; Computer simulation; Equations of motion; Heat flux; Heat losses; Pressure; Probability; Statistical mechanics; Temperature; Thermodynamics; Fluctuation theorem; Gaussian barostat multiplier; Isobaric; Isothermal; Lennard-Jones potential; No

Citation

URI

http://hdl.handle.net/1885/15951

Collections

ANU Research Publications

Source

The Journal of Chemical Physics

Type

Journal article

Book Title

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DOI

10.1063/1.1462043

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