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A kinetic Monte Carlo (KMC) method is used to study the structural properties and dynamics of a supercooled binary Lennard-Jones liquid around the glass transition temperature. This technique permits us to explore the potential energy…

Soft Condensed Matter · Physics 2015-06-24 Javier Hernandez-Rojas , David J. Wales

We study the glassy dynamics taking place in dense assemblies of athermal active particles that are driven solely by a nonequilibrium self-propulsion mechanism. Active forces are modeled as an Ornstein-Uhlenbeck stochastic process,…

Soft Condensed Matter · Physics 2016-09-28 Elijah Flenner , Grzegorz Szamel , Ludovic Berthier

When we lower the temperature of a liquid, at some point we meet a first order phase transition to the crystal. Yet, under certain conditions it is possible to keep the system in its metastable phase and to avoid crystallization. In this…

Statistical Mechanics · Physics 2009-05-12 Andrea Cavagna

Based on experimental evidences we present a phenomenological description of the thermal glass transition as a dynamical phase transition. Different susceptibilities calculated on the basis of this description are in good qualitative…

Disordered Systems and Neural Networks · Physics 2016-08-16 J. K. Krüger , J. Petersson , J. Baller , M. Henkel

We study heterogeneities in a binary Lennard-Jones system below the glass transition using molecular dynamics simulations. We identify mobile and immobile particles and measure their distribution of vibrational amplitudes. For temperatures…

Disordered Systems and Neural Networks · Physics 2013-05-29 Katharina Vollmayr-Lee , Annette Zippelius

A criterium is derived to understand the relevance of thermal effects resulting from high rate mechanical actions on glass surface. The criterium is based on the concept of characteristic contact time of the load to the glass surface. This…

Materials Science · Physics 2023-04-18 Guglielmo Macrelli

We present results from Molecular Dynamics simulations of the thermal glass transition in a dense polymer melt. In previous work we compared the simulation data with the idealized version of mode coupling theory (MCT) and found that the…

Soft Condensed Matter · Physics 2009-10-31 Christoph Bennemann , Wolfgang Paul , J"org Baschnagel , Kurt Binder

Whether the glass transition is caused by an underlying singularity or is a purely kinetic phenomenon is a significant outstanding question. Studying an atomistic glass former, we introduce a sampling method to access temperatures…

Statistical Mechanics · Physics 2017-09-20 Thomas Speck , C. Patrick Royall , Stephen R. Williams

We assess the validity of "microscopic" approaches of glass-forming liquids based on the sole k nowledge of the static pair density correlations. To do so we apply them to a benchmark provided by two liquid models that share very similar…

Statistical Mechanics · Physics 2011-10-10 Ludovic Berthier , Gilles Tarjus

In this talk, after a short phenomenological introduction on glasses, I will describe some recent progresses that have been done in glasses using the replica method in the definition and in the evaluation of the configurational entropy (or…

Disordered Systems and Neural Networks · Physics 2009-10-31 Giorgio Parisi

We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…

Soft Condensed Matter · Physics 2015-12-25 E. Galicia-Andrés , H. Dominguez , L. Pusztai , O. Pizio

A relation between equilibrium, steady-state, and waiting-time dependent dynamical two-time correlation functions in dense glass-forming liquids subject to homogeneous steady shear flow is discussed. The systems under study show pronounced…

Soft Condensed Matter · Physics 2015-05-18 Matthias Krüger , Fabian Weysser , Thomas Voigtmann

Classification of glass-forming liquids based on the dramatic change in their properties upon approach to the glassy state is appealing, since this is the most conspicuous and often-studied aspect of the glass transition. Herein, we show…

Soft Condensed Matter · Physics 2009-11-10 R. Casalini , C. M. Roland

We compare dynamical heterogeneities in equilibrated supercooled liquids and in the nonequilibrium glassy state within the framework of the random first order transition theory. Fluctuating mobility generation and transport in the glass are…

Statistical Mechanics · Physics 2014-01-21 Apiwat Wisitsorasak , Peter G. Wolynes

Using molecular dynamics simulations we study the out of equilibrium dynamic correlations in a model glass-forming liquid. The system is quenched from a high temperature to a temperature below its glass transition temperature and the decay…

Statistical Mechanics · Physics 2009-10-30 Walter Kob , Jean-Louis Barrat

Using molecular dynamics simulation we examine changeovers among crystal, glass, and liquid at high density in a two dimensional binary mixture. We change the ratio between the diameters of the two components and the temperature. The…

Soft Condensed Matter · Physics 2009-11-11 Toshiyuki Hamanaka , Akira Onuki

Developing microscopic understanding of the thermal properties of liquids is challenging due to their strong dynamic disorder, which prevents characterization of the atomic degrees of freedom. There have been significant research interests…

Disordered Systems and Neural Networks · Physics 2023-07-19 Jaeyun Moon , Lucas Lindsay , Takeshi Egami

We use computer simulations to probe the thermodynamic and dynamic properties of a glass-former that undergoes an ideal glass-transition because of the presence of randomly pinned particles. We find that even deep in the equilibrium glass…

Disordered Systems and Neural Networks · Physics 2018-12-03 Misaki Ozawa , Atsushi Ikeda , Kunimasa Miyazaki , Walter Kob

The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free…

Materials Science · Physics 2015-05-27 Joel Berry , Martin Grant

I briefly describe how mean-field glass models can be extended to the case in which the bath and friction are non-thermal, thus promoting them to granular matter mean-field caricatures. Solving their dynamics one discovers a temperature…

Statistical Mechanics · Physics 2016-11-23 Jorge Kurchan