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

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

2009-04-24

arxiv.org/abs/0904.3942v1

Eur. Phys. J. B 67, 495-499 (2009)

Physics

Condensed Matter

Statistical Mechanics

13 pages, 3 figures

Scientific paper

10.1140/epjb/e2009-00053-3

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.

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