Browsing by Subject "GLASS-TRANSITION"

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    A microscopic model of the Stokes-Einstein relation in arbitrary dimension.
    (The Journal of chemical physics, 2018-06) Charbonneau, Benoit; Charbonneau, Patrick; Szamel, Grzegorz
    The Stokes-Einstein relation (SER) is one of the most robust and widely employed results from the theory of liquids. Yet sizable deviations can be observed for self-solvation, which cannot be explained by the standard hydrodynamic derivation. Here, we revisit the work of Masters and Madden [J. Chem. Phys. 74, 2450-2459 (1981)], who first solved a statistical mechanics model of the SER using the projection operator formalism. By generalizing their analysis to all spatial dimensions and to partially structured solvents, we identify a potential microscopic origin of some of these deviations. We also reproduce the SER-like result from the exact dynamics of infinite-dimensional fluids.
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    Postponing the dynamical transition density using competing interactions
    (Granular Matter, 2020-08-01) Charbonneau, P; Kundu, J
    Systems of dense spheres interacting through very short-ranged attraction are known from theory, simulations and colloidal experiments to exhibit dynamical reentrance. Their liquid state can thus be fluidized at higher densities than possible in systems with pure repulsion or with long-ranged attraction. A recent mean-field, infinite-dimensional calculation predicts that the dynamical arrest of the fluid can be further delayed by adding a longer-ranged repulsive contribution to the short-ranged attraction. We examine this proposal by performing extensive numerical simulations in a three-dimensional system. We first find the short-ranged attraction parameters necessary to achieve the densest liquid state, and then explore the parameter space for an additional longer-ranged repulsion that could further enhance reentrance. In the family of systems studied, no significant (within numerical accuracy) delay of the dynamical arrest is observed beyond what is already achieved by the short-ranged attraction. Possible explanations are discussed.