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We use molecular dynamics computer simulations to investigate the relaxation dynamics of a binary Lennard-Jones liquid confined in a narrow pore. We find that the average dynamics is strongly influenced by the confinement in that time…

Statistical Mechanics · Physics 2009-10-31 Peter Scheidler , Walter Kob , Kurt Binder

We numerically study dynamical properties of the one-component Gaussian Core Model in the supercooled states. We find that nucleation is suppressed as density increases. Concomitantly the system exhibits glassy slow dynamics characterized…

Soft Condensed Matter · Physics 2015-05-19 Atsushi Ikeda , Kunimasa Miyazaki

We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…

chem-ph · Physics 2009-10-22 Shelly L. Shumway , Andrew S. Clarke , Hannes Jónsson

While deeply supercooled liquids exhibit divergent viscosity and increasingly heterogeneous dynamics as the temperature drops, their structure shows only seemingly marginal changes. Understanding the nature of relaxation processes in this…

Materials Science · Physics 2022-11-03 Matthias Lerbinger , Armand Barbot , Damien Vandembroucq , Sylvain Patinet

Due to high viscosity, glassy systems evolve slowly to the ordered state. Results of molecular dynamics simulation reveal that the structural ordering in glasses becomes observable over "experimental" (finite) time-scale for the range of…

Materials Science · Physics 2015-06-24 Anatolii V. Mokshin , Bulat N. Galimzyanov

With molecular dynamics simulations of a fluid mixture of classical particles interacting with pair-wise additive Weeks-Chandler-Andersen potentials, we consider the time series of particle displacements and thereby determine distributions…

Statistical Mechanics · Physics 2011-11-10 Lester O. Hedges , Lutz Maibaum , David Chandler , Juan P. Garrahan

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…

Statistical Mechanics · Physics 2019-09-11 Shachi Katira , Juan P. Garrahan , Kranthi K. Mandadapu

The theory developed in our previous papers is applied in this paper to investigate the dependence of slowing down of dynamics of glass-forming liquids on the attractive and repulsive parts of intermolecular interactions. Through an…

Soft Condensed Matter · Physics 2021-05-12 Ankit Singh , Yashwant Singh

We introduce a new quantity to probe the glass transition. This quantity is a linear generalized compressibility which depends solely on the positions of the particles. We have performed a molecular dynamics simulation on a glass forming…

Disordered Systems and Neural Networks · Physics 2009-11-07 Herve M. Carruzzo , Clare C. Yu

The following properties are in the present literature associated with the behavior of super-cooled glass-forming liquids: faster than exponential growth of the relaxation time, dynamical heterogeneities, growing point-to-set correlation…

Statistical Mechanics · Physics 2011-01-25 Florent Krzakala , Lenka Zdeborová

We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…

Soft Condensed Matter · Physics 2015-06-04 Weikang Chen , Joel Koplik , Ilona Kretzschmar

We study a binary Lennard-Jones system below the glass transition with molecular dynamics simulations. To investigate the dynamics we focus on events ("jumps") where a particle escapes the cage formed by its neighbors. Using single particle…

Statistical Mechanics · Physics 2009-11-10 K. Vollmayr-Lee

Structural relaxation in binary hard spherical particles has been shown recently to exhibit a wealth of remarkable features when size disparity or mixture's composition is varied. In this paper, we test whether or not similar dynamical…

Soft Condensed Matter · Physics 2014-12-03 Wen-Sheng Xu , Zhao-Yan Sun , Li-Jia An

Previous studies have suggested a conundrum in the relaxation dynamics of polydisperse supercooled liquids. It has been shown that in two dimensions, the relative relaxation times of particles of different sizes become more similar as the…

Soft Condensed Matter · Physics 2025-03-06 Ilian Pihlajamaa , Lotte van Gessel , Corentin Laudicina , Luc van Burik , Liesbeth Janssen

The understanding of thermodynamic glass transition has been hindered by the lack of proper models beyond mean-field theories. Here, we propose a three-dimensional lattice glass model on a simple cubic lattice that exhibits the typical…

Statistical Mechanics · Physics 2020-08-07 Yoshihiko Nishikawa , Koji Hukushima

Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density…

Soft Condensed Matter · Physics 2012-12-19 Lasse Bøhling , Trond S. Ingebrigtsen , A. Grzybowski , M. Paluch , Jeppe C. Dyre , Thomas B. Schrøder

Using two extremely different models of glass formers in two and three dimensions we demonstrate how to encode the subtle changes in the geometric rearrangement of particles during the scenario of the glass transition. We construct a…

Statistical Mechanics · Physics 2015-05-13 Laurent Boue , Edan Lerner , Itamar Procaccia , Jacques Zylberg

We discuss the microscopic mechanisms by which low-temperature amorphous states, such as ultrastable glasses, transform into equilibrium fluids, after a sudden temperature increase. Experiments suggest that this process is similar to the…

Statistical Mechanics · Physics 2016-07-05 Robert L. Jack , Ludovic Berthier

We reaccess the droplet condensation-evaporation transition of a three-dimensional Lennard-Jones system upon a temperature change. With the help of parallel multicanonical simulations we obtain precise estimates of the transition…

Soft Condensed Matter · Physics 2017-01-13 Johannes Zierenberg , Wolfhard Janke

The relationship between the microscopic arrangement of molecules in a supercooled liquid and its slow dynamics at low temperature near glass transition is studied by Molecular Dynamics (MD) simulations. A Lennard-Jones liquid with…

Soft Condensed Matter · Physics 2009-11-13 Sneha Elizabeth Abraham , Biman Bagchi