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We report a molecular dynamics (MD) study of the collective dynamics of a simple monatomic liquid -interacting through a two body potential that mimics that of lithium- across the liquid-glass transition. In the glassy phase we find…

Disordered Systems and Neural Networks · Physics 2009-11-07 T. Scopigno , G. Ruocco , F. Sette , G. Viliani

The binary hard-sphere mixture is one of the simplest representations of a many-body system with competing time and length scales. This model is relevant to fundamentally understand both the structural and dynamical properties of materials,…

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

We examine the relaxation of the Kob-Andersen Lennard-Jones binary mixture using Brownian dynamics computer simulations. We find that in accordance with mode-coupling theory the self-diffusion coefficient and the relaxation time show…

Soft Condensed Matter · Physics 2009-11-11 Elijah Flenner , Grzegorz Szamel

In stark contrast with the conventional understanding of the glass transition, where the transition from glass to liquid appears as a dynamic process where atoms/molecules cooperatively relax into the equilibrium phase, we experimentally…

Disordered Systems and Neural Networks · Physics 2023-01-10 Ana Vila-Costa , Marta Gonzalez-Silveira , Cristian Rodríguez-Tinoco , Marta Rodríguez-López , Javier Rodríguez-Viejo

We perform extensive numerical simulations of a paradigmatic model glass former, the hard-sphere fluid with 10% polydispersity. We sample from the ensemble of trajectories with fixed observation time, whereby single trajectories are…

Statistical Mechanics · Physics 2020-01-28 Matteo Campo , Thomas Speck

We report on the results of a molecular dynamics simulation study of binodal glassy systems, formed in the process of isochoric rapid quenching from a high-temperature fluid phase. The transition to vitreous state occurs due to concurrent…

Soft Condensed Matter · Physics 2018-02-21 Maxim A. Makeev , Nikolai V. Priezjev

Upon cooling, glass-forming liquids experience a two-step relaxation associated to the cage rattling and the escape from the cage, and the following decoupling between the \b{eta}- and the {\alpha}-relaxations. The found decoupling…

Disordered Systems and Neural Networks · Physics 2017-06-07 P. Luo , P. Wen , H. Y. Bai , B. Ruta , W. H. Wang

We report on the low temperature behaviour of the colloidal electrolyte by means of Molecular Dynamics simulations, where the electrostatic interactions were modeled using effective screened interactions. As in previous works, we have found…

Soft Condensed Matter · Physics 2009-11-13 Jose B. Caballero , Antonio M. Puertas

Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate…

Soft Condensed Matter · Physics 2015-06-17 Leandro B. Krott , Marcia C. Barbosa

We use computer simulations to study the dynamics of a physical gel at high densities where gelation and the glass transition interfere. We report and provide detailed physical understanding of complex relaxation patterns for time…

Soft Condensed Matter · Physics 2010-05-07 Pinaki Chaudhuri , Ludovic Berthier , Pablo I. Hurtado , Walter Kob

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

Phase separation and coarsening is a phenomenon commonly seen in binary physical and chemical systems that occur in nature. Often times, thermal fluctuations, modeled as stochastic noise, are present in the system and the phase segregation…

Soft Condensed Matter · Physics 2017-04-19 Prerna Gera , David Salac

Tackling the low-temperature fate of supercooled liquids is challenging due to the immense timescales involved, which prevent equilibration and lead to the operational glass transition. Relating glassy behaviour to an underlying,…

Statistical Mechanics · Physics 2017-08-16 Francesco Turci , C. Patrick Royall , Thomas Speck

Using molecular dynamics computer simulations we investigate how the glass transition and the properties of the resulting glass depend on the cooling rate with which the sample has been quenched. This is done by studying a two component…

Condensed Matter · Physics 2009-10-28 Katharina Vollmayr , Walter Kob , Kurt Binder

The relationship between spatially heterogeneous dynamics (SHD) and jamming is studied in a glass-forming binary Lennard-Jones system via molecular dynamics simulations. It has been suggested that the probability distribution of…

Disordered Systems and Neural Networks · Physics 2007-05-23 Naida Lacevic , Sharon C. Glotzer

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

We present molecular dynamics simulations of a binary Lennard-Jones mixture at temperatures below the kinetic glass transition. The ``mobility'' of a particle is characterized by the amplitude of its fluctuation around its average position.…

Statistical Mechanics · Physics 2009-11-07 Katharina Vollmayr-Lee , Walter Kob , Kurt Binder , Annette Zippelius

We use molecular dynamics simulation to study the relationship between structure and dynamics in supercooled binary Lennard--Jones nanoparticles over a range of particle sizes. The glass transition temperature of the nanoparticles is found…

Soft Condensed Matter · Physics 2025-05-15 Weikai Qi , Shreya Tiwary , Richard K. Bowles

We numerically investigate slow dynamics of a binary mixture of ultrasoft particles interacting with the generalized Hertzian potential. If the softness parameter, $\alpha$, is small, the particles at high densities start penetrating each…

Soft Condensed Matter · Physics 2019-03-27 Ryoji Miyazaki , Takeshi Kawasaki , Kunimasa Miyazaki