Mode-coupling theory predictions for a limited valency attractive square-well model

Details Mode-coupling theory predictions for a limited valency attractive square-well model Mode-coupling theory predictions for a limited valency attractive square-well model

2006-05-08

arxiv.org/abs/cond-mat/0605201v1

Physics

Condensed Matter

Soft Condensed Matter

12 pages, 6 figures. To appear in J. Phys. Condens. Matter, special issue: "Topics in Application of Scattering Methods for In

Scientific paper

10.1088/0953-8984/18/36/S11

Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbors. Studying a large region of temperatures $T$ and packing fractions $\phi$, we have estimated the location of the liquid-gas phase separation spinodal and the loci of dynamic arrest, where the system is trapped in a disordered non-ergodic state. Two distinct arrest lines for the system are present in the system: a {\it (repulsive) glass} line at high packing fraction, and a {\it gel} line at low $\phi$ and $T$. The former is essentially vertical ($\phi$-controlled), while the latter is rather horizontal ($T$-controlled) in the $(\phi-T)$ plane. We here complement the molecular dynamics results with mode coupling theory calculations, using the numerical structure factors as input. We find that the theory predicts a repulsive glass line -- in satisfactory agreement with the simulation results -- and an attractive glass line which appears to be unrelated to the gel line.

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