Influence of fluid flows on electric double layers in evaporating colloidal sessile droplets.

A model is developed for describing the transport of charged colloidal particles in an evaporating sessile droplet on the electrified metal substrate in the presence of a solvent flow. The model takes into account the electric charge of colloidal particles and small ions produced by electrolytic dissociation of the active groups on the colloidal particles and solvent molecules. We employ a system of self-consistent Poisson and Nernst-Planck equations for electric potential and average concentrations of colloidal particles and ions with the appropriate boundary conditions. The fluid dynamics, temperature distribution and evaporation process are described with the Navier-Stokes equations, equations of heat conduction and vapor diffusion in air, respectively. The developed model is used to carry out a first-principles numerical simulation of charged silica colloidal particle transport in an evaporating aqueous droplet. We find that electric double layers can be destroyed by a sufficiently strong fluid flow.

Understanding population annealing Monte Carlo simulations.

Population annealing is a recent addition to the arsenal of the practitioner in computer simulations in statistical physics and it proves to deal well with systems with complex free-energy landscapes. Above all else, it promises to deliver unrivaled parallel scaling qualities, being suitable for parallel machines of the biggest caliber. Here we study population annealing using as the main example the two-dimensional Ising model, which allows for particularly clean comparisons due to the available exact results and the wealth of published simulational studies employing other approaches. We analyze in depth the accuracy and precision of the method, highlighting its relation to older techniques such as simulated annealing and thermodynamic integration. We introduce intrinsic approaches for the analysis of statistical and systematic errors and provide a detailed picture of the dependence of such errors on the simulation parameters. The results are benchmarked against canonical and parallel tempering simulations.