TY - JOUR
T1 - Fluctuation-theory constraint for extensive entropy in Monte-Carlo simulations
AU - Chamberlin, Ralph
AU - Wolf, George
N1 - Copyright:
Copyright 2012 Elsevier B.V., All rights reserved.
PY - 2009/2
Y1 - 2009/2
N2 - 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.
AB - 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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U2 - 10.1140/epjb/e2009-00053-3
DO - 10.1140/epjb/e2009-00053-3
M3 - Article
AN - SCOPUS:62549091398
SN - 1434-6028
VL - 67
SP - 495
EP - 499
JO - European Physical Journal B
JF - European Physical Journal B
IS - 4
ER -