Related papers: Large temperature-up-jump simulations of a binary …
This paper studies physical aging by computer simulations of a 2:1 Kob-Andersen binary Lennard-Jones mixture, a system that is less prone to crystallization than the standard 4:1 composition. Starting from thermal-equilibrium states, the…
Physical aging deals with slow property changes over time caused by molecular rearrangements. This is relevant for non-crystalline materials like polymers and inorganic glasses, both in production and during subsequent use. The…
We perform extensive simulations of a binary mixture Lennard-Jones system subjected to a temperature jump in order to study the time evolution of fluctuations during aging. Analyzing data from 1500 different aging realizations, we calculate…
We explain the findings by Di Leonardo et al. [Phys. Rev. Lett. 84, 6054 (2000)] that the effective temperature of a Lennard-Jones glass depends only on the final value of the density in the volume and/or temperature jump that produces the…
Although it has been known for half a century that the physical aging of glasses in experiments is described well by a linear thermal-history convolution integral over the so-called material time, the microscopic definition and…
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…
Using molecular dynamics computer simulations we investigate the out-of-equilibrium dynamics of a Lennard-Jones system after a quench from a high temperature to one below the glass transition temperature. By studying the radial distribution…
We present molecular dynamics simulations of a model glass-forming liquid (the binary Kob-Anderson Lennard-Jones model) and consider the distributions of inherent energies and metabasins during aging. In addition to the typical protocol of…
The physical aging of supercooled glycerol induced by upward temperature steps of amplitude reaching 45 K was studied by a new method consisting in heating a micrometer-thick liquid film at a rate of up to 60 000 K/s, holding it at a…
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…
Aging to the equilibrium liquid state of organic glasses is studied. The glasses were prepared by cooling the liquid to temperatures just below the glass transition. Aging following a temperature jump was studied by measuring the dielectric…
In a recent letter [PRL 78 (1997) 4581] Kob and Barrat reported results of their molecular dynamics simulation of the non-equilibrium dynamics of a binary Lennard-Jones glass. They propose an aging scenario in this system that is close to a…
Analyzing three approximate methods to locate liquid-solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the…
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…
The random first order transition theory of the dynamics of supercooled liquids is extended to treat aging phenomena in nonequilibrium structural glasses. A reformulation of the idea of ``entropic droplets'' in terms of libraries of local…
We have used molecular dynamics simulations for a comprehensive study of phase separation in a two-dimensional single component off-lattice model where particles interact through the Lennard-Jones potential. Via state-of-the-art methods we…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
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…
The stress-strain relations and the yield behavior of model glass (a 80:20 binary Lennard-Jones mixture) is studied by means of MD simulations. First, a thorough analysis of the static yield stress is presented via simulations under imposed…
Using the recently introduced parsimonious Metropolis algorithm bead-stick polymers both with infinite-range Lennard-Jones interaction and with truncation are simulated. The focus lays on determining the Boyle temperature for long chains…