6533b86ffe1ef96bd12cd3b2
RESEARCH PRODUCT
COOLING RATE DEPENDENCE AND DYNAMIC HETEROGENEITY BELOW THE GLASS TRANSITION IN A LENNARD–JONES GLASS
Walter KobKurt BinderKatharina Vollmayr-leeAnnette Zippeliussubject
Materials scienceFOS: Physical sciencesGeneral Physics and AstronomyThermodynamics02 engineering and technologyCondensed Matter - Soft Condensed Matter01 natural sciencesMolecular dynamics0103 physical sciences010306 general physicsCondensed Matter - Statistical MechanicsMathematical PhysicsCondensed Matter - Materials ScienceStatistical Mechanics (cond-mat.stat-mech)Materials Science (cond-mat.mtrl-sci)Statistical and Nonlinear PhysicsDisordered Systems and Neural Networks (cond-mat.dis-nn)Condensed Matter - Disordered Systems and Neural Networks021001 nanoscience & nanotechnologyComputer Science ApplicationsCooling rateComputational Theory and MathematicsSoft Condensed Matter (cond-mat.soft)Particle0210 nano-technologyGlass transitiondescription
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 cooling rate on the glass transition and on the resulting glass. We find for all investigated quantities a cooling rate dependence; with decreasing cooling rate the system falls out of equilibrium at decreasing temperatures, reaches lower enthalpies and obtains increasing local order. Next we study the dynamics of the melting process by investigating the most immobile and most mobile particles in the glass. We find that their spatial distribution is heterogeneous and that the immobile/mobile particles are surrounded by denser/less dense cages than an average particle.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-12-20 | International Journal of Modern Physics C |