Event Driven Langevin simulations of Hard Spheres

Abstract

The blossoming of interest in colloids and nano-particles 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 timestep. This in not the case for hard-body systems, where there is no clearcut between the correlation time of the noise and the timescale 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 new algorithms for the simulation of the Langevin dynamics of hard-spheres.

References in corpus (4)

• A First-Principles Constitutive Equation for Suspension Rheology
• First-Passage Kinetic Monte Carlo method
• A First-Passage Kinetic Monte Carlo Algorithm for Complex Diffusion-Reaction Systems
• Dense colloidal suspensions under time-dependent shear

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• Enskog kinetic theory of rheology for a moderately dense inertial suspension
• Brownian dynamics simulations of hard rods in external fields and with contact interactions
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• Brownian Dynamics Simulation of Polydisperse Hard Spheres
• Driven transport of soft Brownian particles through pore-like structures: Effective size method
• Kinetic Theory and Memory Effects of Homogeneous Inelastic Granular Gases under Nonlinear Drag
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• Rheology of a dilute binary mixture of inertial suspension under simple shear flow
• Barrier-Controlled Non-Equilibrium Criticality in Reactive Particle Systems
• Kinetic theory of discontinuous shear thickening for a dilute gas-solid suspension
• Correlations of density and current fluctuations in single-file motion of hard spheres and in driven lattice gas with nearest-neighbor interaction
• Single-file transport of binary hard-sphere mixtures through periodic potentials
• Collective excitations in jammed states: ultrafast defect propagation and finite-size scaling
• Mpemba-like effect protocol for granular gases of inelastic and rough hard disks
• Thermal versus entropic Mpemba effect in molecular gases with nonlinear drag