Related papers: Dynamical Heterogeneity and the interplay between …
A toy model is proposed which incorporates the reversible mode coupling mechanism responsible for ergodic-nonergodic transition with trivial Hamiltonian in the mode coupling theory (MCT) of structural glass transition. The model can be…
The collective dynamics in liquid water is an active research topic experimentally, theoretically and via simulations. Here, ab initio molecular dynamics simulations are reported in heavy and ordinary water at temperature 323.15 K, or…
By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on…
We theoretically study the non-monotonic (re-entrant) activated dynamics associated with a repulsive glass to fluid to attractive glass transition in high density particle suspensions interacting via strong short range attractive forces.…
The temperature-dependence of dynamical properties (e.g., the asymptotic diffusion coefficient and the sub-diffusive exponent) are calculated for charges and excitons in one-dimensional systems subject to static and dynamic disorder. These…
We study the dynamic structure factor of fluctuating elastic thin sheets subject to conservative (athermal) random forcing. In Steinbock, Katzav & Boudaoud, Phys. Rev. Research 4, 033096 (2022), the static structure factor of such a sheet…
The low-T part of the phase diagram in self-assembling systems is correctly predicted by the known versions of the density functional theory (DFT). The high-T part obtained in DFT, however, does not agree with simulations even on the…
We combine the hyper-netted chain approximation of liquid state theory with the mode-coupling theory of the glass transition to analyze the structure and dynamics of soft spheres interacting via harmonic repulsion. We determine the locus of…
It is widely believed that the emergence of slow glassy dynamics is encoded in a material's microstructure. First-principles theory [mode-coupling theory (MCT)] is able to predict the dramatic slowdown of the dynamics from only static…
We characterize steady-state static and dynamic properties in a broad class of mass transport processes on a periodic hypercubic lattice of volume $L^d$, where both mass and {\it center-of-mass} (CoM) remain conserved and detailed balance…
We report an extensive and systematic investigation of the multi-point and multi-time correlation functions to reveal the spatio-temporal structures of dynamic heterogeneities in glass-forming liquids. Molecular dynamics simulations are…
We study here the random diffusion model. This is a continuum model for a conserved scalar density field $\phi$ driven by diffusive dynamics. The interesting feature of the dynamics is that the {\it bare} diffusion coefficient $D$ is…
While the transformation of flowing liquids into rigid glasses is omnipresent, a complete understanding of vitrification remains elusive. Of the numerous approaches aimed at solving the glass transition problem, the Random First-Order…
The driving force of the dynamical system can be decomposed into the gradient of a potential landscape and curl flux (current). The fluctuation-dissipation theorem (FDT) is often applied to near equilibrium systems with detailed balance.…
Modal relaxation dynamics has been observed experimentally to clarify statistical-physical properties of soft-mode turbulence, the spatiotemporal chaos observed in homeotropically aligned nematic liquid crystals. We found a dual structure,…
Aging refers to the evolution of system properties with waiting time $t_w$. It is a key feature of glassy dynamics. Recent experiments have demonstrated aging in biological systems that are inherently active with a magnitude of…
Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range…
We analyze the slow, glassy structural relaxation as measured through collective and tagged-particle density correlation functions obtained from Brownian dynamics simulations for a polydisperse system of quasi-hard spheres in the framework…
We have carried out a microscopic study of the dynamic structure factor of liquid $^4$He across the normal-superfluid transition temperature using the path integral Monte Carlo method. The ill-posed problem of the inverse Laplace transform,…
This paper presents the first implementation of a coupling between advanced wave function theories and molecular density functional theory (MDFT). This method enables the modeling of solvent effect into quantum mechanical (QM) calculations…