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We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…

Statistical Mechanics · Physics 2026-03-31 Romain Simon , Jean-Louis Barrat , Ludovic Berthier

We present molecular dynamics results for a two component, two-dimensional Lennard-Jones supercooled liquid near the glass transition. We find that the supercooled liquid is spatially heterogeneous and that there are long-lived clusters…

Disordered Systems and Neural Networks · Physics 2009-10-31 Gregory Johnson , Andrew I. Melcuk , Harvey Gould , W. Klein , Raymond D. Mountain

We use time-resolved X-Photon Correlation Spectroscopy to investigate the slow dynamics of colloidal gels made of moderately attractive carbon black particles. We show that the slow dynamics is temporally heterogeneous and quantify its…

Soft Condensed Matter · Physics 2011-11-09 Veronique Trappe , Estelle Pitard , Laurence Ramos , Aymeric Robert , Hugo Bissig , Luca Cipelletti

Understanding the influence of activity on dense amorphous assemblies is crucial for biological processes such as wound healing, embryogenesis, or cancer progression. Here, we study the effect of self-propulsion forces of amplitude $f_0$…

Soft Condensed Matter · Physics 2026-01-27 Puneet Pareek , Peter Sollich , Saroj Kumar Nandi , Ludovic Berthier

By using event-driven molecular dynamics simulation, we investigate effects of varying the area fraction of the smaller component on structure, compressibility factor and dynamics of the highly size-asymmetric binary hard-disk liquids. We…

Soft Condensed Matter · Physics 2015-06-05 Wen-Sheng Xu , Zhao-Yan Sun , Li-Jia An

We investigate the spatio-temporal distribution of microscopic relaxation events, defined through particle hops, in a model polymer glass using molecular dynamics simulations. We introduce an efficient algorithm to directly identify hops…

Soft Condensed Matter · Physics 2013-08-30 Anton Smessaert , Jörg Rottler

Using a refractive index matching method, we investigate the trajectories of particles in a three dimensional granular packing submitted to cyclic shear deformation. The particle motion observed during compaction is not diffusive but…

Soft Condensed Matter · Physics 2009-11-10 O. Pouliquen , M. Belzons , M. Nicolas

We use the ``isoconfigurational ensemble'' [Phys. Rev. Lett. {\bf 93}, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass forming molecular liquid. We show that spatially correlated clusters of low…

Materials Science · Physics 2009-11-11 Gurpreet S. Matharoo , M. S. Gulam Razul , Peter H. Poole

The dynamical arrest of gels is the consequence of a well defined structural phase transition, leading to the formation of a spanning cluster of bonded particles. The dynamical glass transition, instead, is not accompanied by any clear…

Soft Condensed Matter · Physics 2016-07-21 Raffaele Pastore , Antonio de Candia , Anallisa Fierro , Massimo Pica Ciamarra , Antonio Coniglio

We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four decades we study the influence of the…

Statistical Mechanics · Physics 2015-06-25 K. Vollmayr-Lee , W. Kob , K. Binder , A. Zippelius

We analyse structure and dynamics in simulated high-concentration hard sphere colloidal suspensions by means of calculations based on the void space. We show that remoteness, a quantity measuring the scale of spaces, is useful in studying…

Soft Condensed Matter · Physics 2007-05-23 M. D. Haw

Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the…

Soft Condensed Matter · Physics 2010-05-04 Hayato Shiba , Akira Onuki

We investigate the evolution of a system of colloidal particles, trapped at a fluid interface and interacting via capillary attraction, as function of the range of the capillary interaction and temperature. We address the collapse of an…

Soft Condensed Matter · Physics 2013-12-13 J. Bleibel , A. Dominguez , M. Oettel , S. Dietrich

Molecular dynamics computer simulations are used to investigate thedynamics of a binary mixture of charged (Yukawa) particles with a size-ratio of 1:5. We find that the system undergoes a phase transition where the large particles…

Disordered Systems and Neural Networks · Physics 2015-06-25 Norio Kikuchi , Juergen Horbach

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

A multi-time extension of a density correlation function is introduced to reveal temporal information about dynamical heterogeneity in glass-forming liquids. We utilize a multi-time correlation function that is analogous to the higher-order…

Soft Condensed Matter · Physics 2010-08-03 Kang Kim , Shinji Saito

We study the formation of a colloidal gel by means of Molecular Dynamics simulations of a model for colloidal suspensions. A slowing down with gel-like features is observed at low temperatures and low volume fractions, due to the formation…

Soft Condensed Matter · Physics 2009-11-13 A. Fierro , E. Del Gado , A. de Candia , A. Coniglio

We analyse, using Inhomogenous Mode-Coupling Theory, the critical scaling behaviour of the dynamical susceptibility at a distance epsilon from continuous second-order glass transitions. We find that the dynamical correlation length xi…

Disordered Systems and Neural Networks · Physics 2014-12-17 Saroj Kumar Nandi , Giulio Biroli , Jean-Philippe Bouchaud , Kunimasa Miyazaki , David R. Reichman

We examine the phenomenon of dynamical heterogeneity in computer simulations of an equilibrium, glass-forming liquid. We describe several approaches to quantify the spatial correlation of single-particle motion, and show that spatial…

Soft Condensed Matter · Physics 2009-09-25 Sharon C. Glotzer , Claudio Donati

The glass transition remains unclarified in condensed matter physics. Investigating the mechanical properties of glass is challenging because any global deformation that may result in shear rejuvenation requires an astronomical relaxation…

Soft Condensed Matter · Physics 2020-07-21 Ji Woong Yu , S. H. E. Rahbari , Takeshi Kawasaki , Hyunggyu Park , Won Bo Lee