Dynamics of thermally driven capillary waves for two-dimensional droplets.

Capillary waves have been observed in systems ranging from the surfaces of ordinary fluids to interfaces in biological membranes and have been one of the most studied areas in the physics of fluids. Recent advances in fluorescence microscopy and imaging enabled quantitative measurements of thermally driven capillary waves in lipid monolayers and bilayers, which resulted in accurate measurements of the line tension in monolayer domains. Even though there has been a considerable amount of work on the statics and dynamics of capillary waves in three dimensions, to the best of our knowledge, there is no detailed theoretical analysis for two-dimensional droplet morphologies.

Prediction of viscosity for molecular fluids at experimentally accessible shear rates using the transient time correlation function formalism.

Nonequilibrium molecular dynamics (NEMD) simulations were performed and the transient time correlation function (TTCF) method applied to calculate the shear viscosity of n-decane. Using the TTCF method we were able to calculate the viscosity at shear rate orders of magnitude lower than is possible by direct NEMD simulation alone. For the first time for a molecular fluid, we were able to simulate shear rates accessible by experimental measurements, which are typically performed at shear rates well below those accessible by NEMD simulation.

Operator splitting algorithm for isokinetic SLLOD molecular dynamics.

We apply an operator splitting method to develop a simulation algorithm that has complete analytical solutions for the Gaussian thermostated SLLOD equations of motion [D. J. Evans and G.