Determination of curvature corrections to the surface tension of a liquid–vapor interface through molecular dynamics simulations

We use molecular dynamics simulations of particles interacting through a truncated Lennard-Jones potential to study the surface properties of the curved liquid–vapor interface. We determine the Tolman length $\mathrm{\delta ,}$ investigate its critical behavior, and provide first results for the rigidity constants of bending, k, and of Gaussian curvature, $\mathrm{k̄.}$ The rigidity constant of bending, determined at three different temperatures, is found to be positive and of the order of one-half $k_B\mathrm{T.}$ The rigidity constant of Gaussian curvature, determined at a single temperature, is of the same order of magnitude.