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Structure and dynamics of water remain a challenge. Resolving the properties of hydrogen bonding lies at the heart of this puzzle. Here we employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total…

Soft Condensed Matter · Physics 2013-04-04 John Tatini Titantah , Mikko Karttunen

If a liquid is cooled rapidly to form a glass, its structural relaxation becomes retarded, producing a drastic increase in viscosity. In two dimensions, strong long-wavelength fluctuations persist, even at low temperature, making it…

Soft Condensed Matter · Physics 2019-12-25 Hayato Shiba , Takeshi Kawasaki , Kang Kim

Dynamic heterogeneity, believed to be one of the hallmarks of the dynamics of supercooled liquids, is expected to affect the diffusion of the particles comprising the liquid. We have carried out extensive molecular dynamics simulations of…

Soft Condensed Matter · Physics 2019-12-23 Rajsekhar Das , Chandan Dasgupta , Smarajit Karmakar

We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…

Statistical Mechanics · Physics 2022-03-15 Umberto Marini Bettolo Marconi , Andrea Puglisi , Lorenzo Caprini

The concept of vibrational density of states in glasses has been mirrored in liquids by the instantaneous-normal-mode spectrum. While in glasses instantaneous configurations correspond to minima of the potential-energy hypersurface and all…

Disordered Systems and Neural Networks · Physics 2023-02-07 Stefano Mossa , Taras Bryk , Giancarlo Ruocco , Walter Schirmacher

Amorphous solids are mechanically rigid while possessing a disordered structure similar to that of dense liquids. Recent research indicates that dynamical heterogeneity, spatio-temporal fluctuations in local dynamical behavior, might help…

Statistical Mechanics · Physics 2011-06-10 Ludovic Berthier

We investigate how structural relaxation in mixtures with strong dynamical asymmetry is affected by the microscopic dynamics. Brownian and Newtonian dynamics simulations of dense mixtures of fast and slow hard spheres reveal a striking…

Soft Condensed Matter · Physics 2017-10-02 Suvendu Mandal , Thomas Franosch , Thomas Voigtmann

Slow dynamics in a fluid are studied in one of the most basic systems possible: polydisperse hard spheres. Monodisperse hard spheres cannot be studied as the slow down in dynamics as the density is increased is preempted by crystallisation.…

Soft Condensed Matter · Physics 2009-10-31 Richard P. Sear

The diffusivity of tagged particles is demonstrated to be heterogeneous on time scales comparable to or less than the structural relaxation time %taking place at the interparticle distance in a highly supercooled liquid via 3D molecular…

Soft Condensed Matter · Physics 2009-10-31 Ryoichi Yamamoto , Akira Onuki

We investigate the relation between the dynamical features of a supercooled liquid and those of its potential energy landscape, focusing on a model liquid with density anomalies. We consider, at fixed temperature, pairs of state points with…

Soft Condensed Matter · Physics 2015-08-20 Massimo Pica Ciamarra , Peter Sollich

Computer simulations show that liquids of molecules with harmonic intramolecular bonds may have "pseudoisomorphic" lines of approximately invariant dynamics in the thermodynamic phase diagram. We demonstrate that these lines can be…

Soft Condensed Matter · Physics 2016-12-30 Andreas Elmerdahl Olsen , Jeppe C. Dyre , Thomas B. Schrøder

Using simulations of hard rods in smectic-A states, we find non-gaussian diffusion and heterogeneous dynamics due to the equilibrium periodic smectic density profiles, which give rise to permanent barriers for layer-to-layer diffusion. This…

Soft Condensed Matter · Physics 2009-12-15 A. Patti , D. El Masri , R. van Roij , M. Dijkstra

The dynamics of a bi-dimensional dense granular packing under cyclic shear is experimentally investigated close to the jamming transition. Measurement of multi-point correlation functions are produced. The self-intermediate scattering…

Statistical Mechanics · Physics 2007-10-16 O. Dauchot , G. Marty , G. Biroli

Dynamic heterogeneity in glass-formers has been related to their static structure using the concept of dynamic propensity. We re-examine this relationship by analyzing dynamical fluctuations in two atomistic glass-formers and two…

Statistical Mechanics · Physics 2009-08-25 Ludovic Berthier , Robert L. Jack

We study the effect of quenched disorder on nonequilibrium systems of interacting particles, specifically, driven diffusive lattice gases with spatially disordered jump rates. The exact steady-state measure is found for a class of models…

Disordered Systems and Neural Networks · Physics 2009-10-30 Goutam Tripathy , Mustansir Barma

We conduct a numerical study of the dynamical behavior of a system of three-dimensional crosses, particles that consist of three mutually perpendicular line segments rigidly joined at their midpoints. In an earlier study [W. van Ketel et…

Disordered Systems and Neural Networks · Physics 2009-11-13 Patrick Charbonneau , Chinmay Das , Daan Frenkel

Strong correlation between equilibrium fluctuations of the potential energy, U, and the virial, W, is a characteristic of a liquid that implies the presence of certain dynamic properties, such as density scaling of the relaxation times and…

Soft Condensed Matter · Physics 2015-06-11 D. Fragiadakis , C. M. Roland

We study the effect of spatially-correlated heterogeneity on isothermal drying of porous media. We combine a minimal pore-scale model with microfluidic experiments with the same pore geometry. Our simulated drying behavior compare favorably…

Fluid Dynamics · Physics 2019-01-07 Oshri Borgman , Paolo Fantinel , Wieland Lühder , Lucas Goehring , Ran Holtzman

We study concentrated binary colloidal suspensions, a model system which has a glass transition as the volume fraction $\phi$ of particles is increased. We use confocal microscopy to directly observe particle motion within dense samples…

Soft Condensed Matter · Physics 2011-05-20 Takayuki Narumi , Scott V. Franklin , Kenneth W. Desmond , Michio Tokuyama , Eric R. Weeks

Strongly interacting, dynamically disordered and with no small parameter, liquids took a theoretical status between gases and solids. We review different approaches to liquids and propose that liquids do not need classifying in terms of…

Soft Condensed Matter · Physics 2016-01-13 K. Trachenko , V. V. Brazhkin