arXiv subjects

Taco Nicolai

Publications and source records attributed to Taco Nicolai.

4 recordsLinked to original sources

arXiv2008

Diffusion limited cluster aggregation with irreversible flexible bonds

Irreversible diffusion limited cluster aggregation (DLCA) of hard spheres was simulated using Brownian cluster dynamics. Bound spheres were allowed to move freely within a specified range, but no bond breaking was allowed. The structure and size distribution of the clusters was investigated before gelation. The pair correlation function and the static structure factor of the gels were determined as a function of the volume fraction and time. Bond flexibility led to local densification of the clusters and the gels, with a certain degree of order. At low volume fractions densification of the clusters occurred during their growth, but at higher volume fractions it occurred mainly after gelation. At very low volume fractions, the large scale structure (fractal dimension), size distribution and growth kinetics of the clusters was found to be close to that known for DLCA with rigid bonds. Restructuring of the gels continued for long times, indicating that aging processes in systems with strong attraction do not necessarily involve bond breaking. The mean square displacement of particles in the gels was determined. It is shown to be highly heterogeneous and to increase with decreasing volume fraction.

cond-mat.soft↗

arXiv2007

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

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.

cond-mat.soft↗

arXiv2007

Self diffusion of reversibly aggregating spheres

Reversible diffusion limited cluster aggregation of hard spheres with rigid bonds was simulated and the self diffusion coefficient was determined for equilibrated systems. The effect of increasing attraction strength was determined for systems at different volume fractions and different interaction ranges. It was found that the slowing down of the diffusion coefficient due to crowding is decoupled from that due to cluster formation. The diffusion coefficient could be calculated from the cluster size distribution and became zero only at infinite attraction strength when permanent gels are formed. It is concluded that so-called attractive glasses are not formed at finite interaction strength.

cond-mat.soft↗

arXiv2007

Tracer diffusion in colloidal gels

Computer simulations were done of the mean square displacement (MSD) of tracer particles in colloidal gels formed by diffusion or reaction limited aggregation of hard spheres. The diffusion coefficient was found to be determined by the volume fraction accessible to the spherical tracers ($ϕ_a$) independent of the gel structure or the tracer size. In all cases, critical slowing down was observed at $ϕ_a\approx 0.03$ and was characterized by the same scaling laws reported earlier for tracer diffusion in a Lorentz gas. Strong heterogeneity of the MSD was observed at small $ϕ_a$ and was related to the size distribution of pores.

cond-mat.soft↗