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Characterizing the glass state remains elusive since its distinction from a liquid state is not obvious. Glasses are liquids whose viscosity has increased so much that they cannot flow. Accordingly there have been many attempts to define a…
Design requirements for moving parts in mechanical assemblies are typically specified in terms of interactions with other parts. Some are purely kinematic (e.g., pairwise collision avoidance) while others depend on physics and material…
One of hallmark features of glass forming ultraviscous liquids is the decoupling between translational and orientational dynamics. This report presents studies of this phenomenon in glycerol, a canonical molecular glass former, heading for…
The hydrodynamics of granular gases of viscoelastic particles, whose collision is described by an impact-velocity dependent coefficient of restitution, is developed using a modified Chapman-Enskog approach. We derive the hydrodynamic…
Using a quantum-mechanical close-coupling method, we calculate cross sections for fine structure excitation and relaxation of Si and S atoms in collisions with atomic hydrogen. Rate coefficients are calculated over a range of temperatures…
Kob and Andersen's simple lattice models for the dynamics of structural glasses are analyzed. Although the particles have only hard core interactions, the imposed constraint that they cannot move if surrounded by too many others causes slow…
We study the breakdown of diffusive hydrodynamics in holographic systems dual to neutral dilatonic black holes with extremal near horizon geometries conformal to AdS$_2\times\,$R$^2$. We find that at low temperatures by tuning the effective…
Kinetically constrained lattice models of glasses introduced by Kob and Andersen (KA) are analyzed. It is proved that only two behaviors are possible on hypercubic lattices: either ergodicity at all densities or trivial non-ergodicity,…
Ion exchange processes between an ion reservoir and a solid matrix are modeled under the assumption that near interface volumes reach equilibrium in a much faster time than the overall ion exchange process time while, in the bulk of the…
We analyze the properties of the energy landscape of {\it finite-size} fully connected $p$-spin-like models. In the thermodynamic limit the high temperature phase is described by the schematic Mode Coupling Theory of super-cooled liquids.…
Fe exists abundantly in the universe. In particular, the dynamical structures and transport properties of warm dense Fe are crucial for understanding the evolution and structures of giant planets. In this article, we present the ionic…
Unraveling the relation between structural information and the dynamic properties of supercooled liquids is one of the grand challenges of physics. Dynamic heterogeneity, characterized by the propensity of particles, is often used as a…
Due to a continuum of electronic states present in periodic systems, the description of molecular dynamics on surfaces poses a serious computational challenge. One of the most used families of approaches in these settings are friction…
In this paper we advance a stiff solution dynamics [SSD] model to study the regulation of local chemistry near a corroding metal by reaction and diffusion processes in the electrolyte. Using this model we compute the detailed space-time…
Heavy-ion collisions are well described by a dynamical evolution with a long hydrodynamical phase. In this phase the properties of the strongly coupled quark-gluon plasma are reflected in the equation of state (EoS) and the transport…
We consider in this work the convergence of a split-step Euler type scheme (SSM) for the numerical simulation of interacting particle Stochastic Differential Equation (SDE) systems and McKean-Vlasov Stochastic Differential Equations…
We introduce an event-by-event pQCD + saturation + hydro ("EKRT") framework for high-energy heavy-ion collisions, where we compute the produced fluctuating QCD-matter energy densities from next-to-leading order (NLO) perturbative QCD (pQCD)…
The Self-Consistent Ornstein-Zernike Approximation (SCOZA) is an accurate liquid state theory. So far it has been tied to interactions composed of hard core repulsion and long-range attraction, whereas real molecules have soft core…
We present a model for glassy dynamics in supercooled liquid mixtures. Given the relaxation behavior of individual supercooled liquids, the model predicts the relaxation times of their mixtures as temperature is decreased. The model is…
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…