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Event-driven Langevin simulations of hard spheres

A. Scala

  • ISC-CNR Dipartimento di Fisica, Sapienza Università di Roma Piazzale Moro 5, 00185 Roma, Italy,
  • IMT Alti Studi Lucca, piazza S. Ponziano 6, 55100 Lucca, Italy, and London Institute of Mathematical Sciences, 22 South Audley St Mayfair, London W1K 2NY, United Kingdom

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Phys. Rev. E 86, 026709 – Published 20 August, 2012

DOI: https://doi.org/10.1103/PhysRevE.86.026709

Abstract

The blossoming of interest in colloids and nanoparticles has given renewed impulse to the study of hard-body systems. In particular, hard spheres have become a real test system for theories and experiments. It is therefore necessary to study the complex dynamics of such systems in presence of a solvent; disregarding hydrodynamic interactions, the simplest model is the Langevin equation. Unfortunately, standard algorithms for the numerical integration of the Langevin equation require that interactions are slowly varying during an integration time step. This is not the case for hard-body systems, where there is no clear-cut distinction between the correlation time of the noise and the time scale of the interactions. Starting first from a splitting of the Fokker-Plank operator associated with the Langevin dynamics, and then from an approximation of the two-body Green's function, we introduce and test two algorithms for the simulation of the Langevin dynamics of hard spheres.

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Phys. Rev. E 86, 026709– Published 20 August, 2012
  • Received 8 March 2012

©2012 American Physical Society

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