Related papers: Physicochemical Effects in Aging Aqueous Laponite …
Thermal conductivity of a model glass-forming system in the liquid and glass states is studied using extensive numerical simulations. We show that near the glass transition temperture, where the structural relaxation time becomes very long,…
Using molecular dynamics simulations, we investigate the effect of uniaxial elastostatic compression on the potential energy, structural relaxation, and mechanical properties of binary glasses. We consider the three-dimensional Kob-Andersen…
Aging in kinetics of three different phase transitions, viz., magnetic, binary solid and single component fluid, have been studied via Monte Carlo and molecular dynamics simulations in three space dimensions with the objective of…
We study the dynamics of hydration water/protein association in folded proteins, using lysozyme and myoglobin as examples. Extensive molecular dynamics simulations are performed to identify underlying mechanisms of the dynamical transition…
Using a modified Lennard-Jones model for elliptic particles and spherical impurities, we present results of molecular dynamics simulation in two dimensions. In one-component systems of elliptic particles, we find an orientation phase…
We focus on the slow relaxations observed in the conductance of disordered insulators at low temperature (especially granular aluminum films). They manifest themselves as a temporal logarithmic decrease of the conductance after a quench…
Molecular dynamics (MD) simulations are used to determine the diffusion coefficients, electrophoretic mobilities and electrical conductivity of a charged colloidal suspension in the salt-free regime as a function of the colloid charge. The…
This paper investigates water sorption and dehydration of a model synthetic clay (Laponite) and highlights the large differences with natural clays (montmorillonite, hectorite) belonging to smectite family of structure and composition.…
The competing effects of slow structural relaxations (aging) and deformation at constant strain rate on the shear yield stress $\tau^y$ of simple model glasses are examined using molecular simulations. At long times, aging leads to a…
Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…
We use molecular dynamics computer simulations and nuclear magnetic resonance experiments to investigate the dynamics of water at interfaces of molecular roughness and low mobility. We find that, when approaching such interfaces, the…
In this work we study onset of nonlinear rheological behavior of a colloidal dispersion of a synthetic hectorite clay, Laponite, at the critical gel state while undergoing sol-gel transition. When subjected to step strain in the nonlinear…
Understanding flow patterns and coupled transport phenomena during evaporation of droplets loaded with colloidal particles is central to design technical applications such as organizing proteins/DNA on a solid surface. We review recent…
Colloid-polymer mixtures can undergo spinodal decomposition into colloid-rich and colloid-poor regions. Gelation results when interconnected colloid-rich regions solidify. We show that this occurs when these regions undergo a glass…
The yielding behavior of a sheared Laponite suspension is investigated within a 1 mm gap under two different boundary conditions. No-slip conditions, ensured by using rough walls, lead to shear localization as already reported in various…
Aging amorphous polymeric materials undergo free volume relaxation, which causes slowing down of the relaxation dynamics as a function of time. The resulting time dependency poses difficulties in predicting their long time physical…
Using molecular dynamics simulations, we study the slow dynamics of supercooled liquids confined in a random matrix of immobile obstacles. We study the dynamical crossover from glass-like to Lorentz-gas-like behavior in terms of the density…
We discuss the effects of the solvent composition on the helix-coil transition of a polypeptide chain. We use a simple model to demonstrate that improving the hydrogen-bonding ability of the solvent can make the transition less cooperative,…
Molten salts are important in a number of energy applications, but the fundamental mechanisms operating in ionic liquids are poorly understood, particularly at higher temperatures. This is despite their candidacy for deployment in solar…
The temperature and pressure effects on the resistivity of the manganese oxides are studied analytically via the Kondo lattice model with a strong Hund's coupling. We obtain analytically the single-particle density of states on the Bethe…