Fluctuation-theory constraint for extensive entropy in Monte-Carlo simulations

The entropy per particle in most Monte-Carlo simulations is size dependent due to correlated energy fluctuations. Guided by nanothermodynamics, we find a constraint for the Ising model that enhances the fluctuations and lowers the free energy, while making the entropy homogeneous, additive, and exte...

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Bibliographic Details
Published in:The European physical journal. B, Condensed matter physics Condensed matter physics, 2009-02, Vol.67 (4), p.495-499
Main Authors: Chamberlin, R. V., Wolf, G. H.
Format: Article
Language:English
Subjects:
Complex Systems
Condensed Matter Physics
Exact sciences and technology
Fluid- and Aerodynamics
Nonequilibrium and irreversible thermodynamics
Physics
Physics and Astronomy
Solid State and Materials
Solid State Physics
Statistical physics, thermodynamics, and nonlinear dynamical systems
Thermodynamics
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Summary:The entropy per particle in most Monte-Carlo simulations is size dependent due to correlated energy fluctuations. Guided by nanothermodynamics, we find a constraint for the Ising model that enhances the fluctuations and lowers the free energy, while making the entropy homogeneous, additive, and extensive. Although the average interaction energy becomes size dependent, the resulting distribution of energies provides a mechanism for the heterogeneity found in the dynamics of many materials.
ISSN:1434-6028
1434-6036
DOI:10.1140/epjb/e2009-00053-3