Dynamic Monte Carlo Simulations of Anisotropic Colloids

TL;DR

This paper introduces a method to extract dynamical information from Monte Carlo simulations for anisotropic colloids, improving efficiency and enabling detailed analysis of long-time diffusion and orientation dynamics.

Contribution

It presents a simple procedure to derive dynamics from Monte Carlo simulations, extending to anisotropic colloids with orientational degrees of freedom.

Findings

Enhanced efficiency of dynamic Monte Carlo algorithms for spherical particles

Successful application to anisotropic colloids, specifically thin platelets

Detailed insights into long-time diffusion and orientational correlations

Abstract

We put forward a simple procedure for extracting dynamical information from Monte Carlo simulations, by appropriate matching of the short-time diffusion tensor with its infinite-dilution limit counterpart, which is supposed to be known. This approach --discarding hydrodynamics interactions-- first allows us to improve the efficiency of previous Dynamic Monte Carlo algorithms for spherical Brownian particles. In a second step, we address the case of anisotropic colloids with orientational degrees of freedom. As an illustration, we present a detailed study of the dynamics of thin platelets, with emphasis on long-time diffusion and orientational correlations.