The glass transition and the Jarzynski equality

Williams, Stephen R., Searles, Debra J. and Evans, Denis J. (2008) The glass transition and the Jarzynski equality. Journal of Chemical Physics, 129 13: 134504.1-134504.12. doi:10.1063/1.2982172

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Author Williams, Stephen R.
Searles, Debra J.
Evans, Denis J.
Title The glass transition and the Jarzynski equality
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
1089-7690
Publication date 2008-10-01
Sub-type Article (original research)
DOI 10.1063/1.2982172
Open Access Status File (Publisher version)
Volume 129
Issue 13
Start page 134504.1
End page 134504.12
Total pages 12
Place of publication College Park, MD, United States
Publisher American Institute of Physics
Language eng
Abstract A simple model featuring a double well potential is used to represent a liquid that is quenched from an ergodic state into a history-dependent glassy state. Issues surrounding the application of the Jarzynski equality to glass formation are investigated. We demonstrate that the Jarzynski equality gives the free energy difference between the initial state and the state we would obtain if the glass relaxed to true thermodynamic equilibrium. We derive new variations of the Jarzynski equality which are relevant to the history-dependent glassy state rather than the underlying equilibrium state. It is shown how to compute the free energy differences for the nonequilibrium history-dependent glassy state such that it remains consistent with the standard expression for the entropy and with the second law inequality.
Keyword Ergodic state
Variations
Jarzynski
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Australian Institute for Bioengineering and Nanotechnology Publications
 
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