Article Dans Une Revue Journal of Statistical Mechanics: Theory and Experiment Année : 2007

Temperature-extended Jarzynski relation: Application to the numerical calculation of the surface tension

Résumé

We consider a generalization of the Jarzynski relation to the case where the system interacts with a bath for which the temperature is not kept constant but can vary during the transformation. We suggest to use this relation as a replacement to the thermodynamic perturbation method or the Bennett method for the estimation of the order-order surface tension by Monte Carlo simulations. To demonstrate the feasibility of the method, we present some numerical data for the 3D Ising model.

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Dates et versions

hal-00128695 , version 1 (02-02-2007)
hal-00128695 , version 2 (04-04-2007)

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Christophe Chatelain. Temperature-extended Jarzynski relation: Application to the numerical calculation of the surface tension. Journal of Statistical Mechanics: Theory and Experiment, 2007, pp.P04011. ⟨10.1088/1742-5468/2007/04/P04011⟩. ⟨hal-00128695v2⟩
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