Related papers: Spurious violation of the Stokes-Einstein-Debye re…
Highly supercooled liquids with soft-core potentials are studied via molecular dynamics simulations in two and three dimensions in quiescent and sheared conditions.We may define bonds between neighboring particle pairs unambiguously owing…
Non-equilibrium fluid dynamics derived from the extended irreversible thermodynamics of the causal M\"uller--Israel--Stewart theory of dissipative processes in relativistic fluids based on Grad's moment method is applied to the study of the…
We measured electron paramagnetic resonance (EPR) spectra of 14N- and 15N-labeled perdeuterated TEMPONE radicals in normal and supercooled water at various radical concentrations. By fitting the EPR spectra to spectral shape functions based…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
We apply a hybrid Molecular Dynamics and mesoscopic simulation technique to study the steady-state sedimentation of hard sphere particles for Peclet numbers (Pe) ranging from 0.08 to 12. Hydrodynamic back-flow causes a reduction of the…
We critically review the literature on the Debye absorption peak of liquid water and the excess response found on the high frequency side of the Debye peak. We find a lack of agreement on the microscopic phenomena underlying both of these…
By analyzing two Kinetically Constrained Models of supercooled liquids we show that the anomalous transport of a driven tracer observed in supercooled liquids is another facet of the phenomenon of dynamical heterogeneity. We focus on the…
We have carried out extensive molecular dynamics simulations of a supercooled polydisperse Lennard-Jones liquid with large variations in temperature at a fixed pressure. The particles in the system are considered to be polydisperse both in…
Brownian motion with coordinate dependent damping and diffusivity is ubiquitous. Understanding equilibrium of a Brownian particle with coordinate dependent diffusion and damping is a contentious area. In this paper, we present an…
Stochastic quantum Liouville equations (SQLE) are widely used to model energy and charge dynamics in molecular systems. The Haken-Strobl-Reineker (HSR) SQLE is a particular paradigm in which the dynamical noise that destroys quantum…
We analyze in details how the anomalous drift and diffusion properties of a particle evolving in an aging medium can be interpreted in terms of an effective temperature of the medium. From an experimental point of view, independent…
We numerically investigate the dynamics and linear rheology of disordered systems made of patchy particles, focussing on the role of valence, temperature and bonding mechanism. We demonstrate that the dynamics is enslaved to bonding, giving…
In our recent work on concentrated suspensions of uniformly porous colloidal spheres with excluded volume interactions, a variety of short-time dynamic properties were calculated, except for the rotational self-diffusion coefficient. This…
Transition temperatures $T_{c}$ calculated using the BCS model electron-phonon interaction without any adjustable parameters agree with empirical values for quasi-2D cuprate superconductors. They follow from a two-dimensional gas of…
Temperature dependent hydrogen bond energetics and dynamical features, such as the diffusion coefficient and reorientational times, have been determined for ethanol-water mixtures with 10, 20 and 30 mol % of ethanol. Concerning pairwise…
We have studied the ionic conductivity and the dipolar reorientational dynamics of aqueous solutions of a prototypical deep eutectic solvent (DES), ethaline, by using dielectric spectroscopy on a broad range of frequency (MHz-Hz) and for…
Intermolecular correlations lower values of both diffusion and entropy. We present an analysis of the existing relations between long-time diffusion (D) and entropy. S. A recently proposed inequality, a lower bound, by Sorkin et al.,…
We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. They include the temperature-pressure(density) dependence of…
A model for diffusion in liquids that couples the dynamics of tracer particles to a fluctuating Stokes equation for the fluid is investigated in the limit of large Schmidt number. In this limit, the concentration of tracers is shown to…
Using Brownian Dynamics computer simulations we show that the relaxation of a supercooled Brownian system is qualitatively the same as that of a Newtonian system. In particular, near the so-called mode-coupling transition temperature,…