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

Christophe Chatelain (1)

1 LPM - Laboratoire de physique des matériaux

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.

Mots clés: Jarzynski relation; surface tension; Ising model; Monte Carlo simulations

Domaines: Mécanique statistique [cond-mat.stat-mech]; Physique des Hautes Energies - Réseau [hep-lat]

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⟩