The influence of bond-rigidity and cluster diffusion on the self-diffusion of hard spheres with square-well interaction

Abstract

Hard spheres interacting through a square-well potential were simulated using two different methods: Brownian Cluster Dynamics (BCD) and Event Driven Brownian Dynamics (EDBD). The structure of the equilibrium states obtained by both methods were compared and found to be almost the identical. Self diffusion coefficients ($D$) were determined as a function of the interaction strength. The same values were found using BCD or EDBD. Contrary the EDBD, BCD allows one to study the effect of bond rigidity and hydrodynamic interaction within the clusters. When the bonds are flexible the effect of attraction on $D$ is relatively weak compared to systems with rigid bonds. $D$ increases first with increasing attraction strength, and then decreases for stronger interaction. Introducing intra-cluster hydrodynamic interaction weakly increases $D$ for a given interaction strength. Introducing bond rigidity causes a strong decrease of $D$ which no longer shows a maximum as function of the attraction strength.

References in corpus (13)

• Extended corresponding-states behavior for particles with variable range attractions
• Glasses in hard spheres with short-range attraction
• Strict Detailed Balance is Unnecessary in Monte Carlo Simulation
• Confirmation of Anomalous Dynamical Arrest in attractive colloids: a molecular dynamics study
• Scaling of dynamics with the range of interaction in short-range attractive colloids
• Simulation study of Non-ergodicity Transitions: Gelation in Colloidal Systems with Short Range Attractions
• Arrested phase separation in a short-ranged attractive colloidal system: A numerical study
• Event-Driven Brownian Dynamics for Hard Spheres
• Tagged-particle dynamics in a hard-sphere system: mode-coupling theory analysis
• Structure and Relaxation Dynamics of a Colloidal Gel
• Viscoelastic properties of attractive and repulsive colloidal glasses
• Numerical study of the glass-glass transition in short-ranged attractive colloids
• Self diffusion of reversibly aggregating spheres

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• Phase diagram of two-patch colloids with competing anisotropic and isotropic interactions