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

TL;DR

This paper extends the Jarzynski relation to systems with variable temperature baths and applies it to estimate surface tension in the 3D Ising model using Monte Carlo simulations.

Contribution

It introduces a generalized Jarzynski relation for non-constant temperature environments and demonstrates its application in calculating surface tension.

Findings

Successful numerical estimation of surface tension in the 3D Ising model.

The method offers an alternative to traditional thermodynamic perturbation and Bennett methods.

Feasibility demonstrated through Monte Carlo simulations.

Abstract

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.