Evaluating the Surface Tension Using Grand Canonical Transition Matrix Monte Carlo and Finite-Size Scaling

摘要

This letter describes a novel approach for determining the surface tension ofa model system that is applicable over the entire liquid-vapor coexistenceregion. At the heart of the method is a new technique for determiningcoexistence properties that utilizes transition probabilities of attemptedMonte Carlo moves during a grand canonical simulation. Finite-size scalingtechniques are implemented to determine the infinite system surface tensionfrom a series of finite-size simulations. To demonstrate the new method, thesurface tension of the Lennard-Jones fluid is determined at temperaturesranging from the triple point to the critical point.