Document Detail

Statistical mechanics of time independent nondissipative nonequilibrium states.
MedLine Citation:
PMID:  18020624     Owner:  NLM     Status:  PubMed-not-MEDLINE    
We examine the question of whether the formal expressions of equilibrium statistical mechanics can be applied to time independent nondissipative systems that are not in true thermodynamic equilibrium and are nonergodic. By assuming that the phase space may be divided into time independent, locally ergodic domains, we argue that within such domains the relative probabilities of microstates are given by the standard Boltzmann weights. In contrast to previous energy landscape treatments that have been developed specifically for the glass transition, we do not impose an a priori knowledge of the interdomain population distribution. Assuming that these domains are robust with respect to small changes in thermodynamic state variables we derive a variety of fluctuation formulas for these systems. We verify our theoretical results using molecular dynamics simulations on a model glass forming system. Nonequilibrium transient fluctuation relations are derived for the fluctuations resulting from a sudden finite change to the system's temperature or pressure and these are shown to be consistent with the simulation results. The necessary and sufficient conditions for these relations to be valid are that the domains are internally populated by Boltzmann statistics and that the domains are robust. The transient fluctuation relations thus provide an independent quantitative justification for the assumptions used in our statistical mechanical treatment of these systems.
Stephen R Williams; Denis J Evans
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  127     ISSN:  0021-9606     ISO Abbreviation:  J Chem Phys     Publication Date:  2007 Nov 
Date Detail:
Created Date:  2007-11-20     Completed Date:  2008-02-05     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  184101     Citation Subset:  -    
Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory 0200, Australia.
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