Cooling rate dependence and dynamic heterogeneity below the glass transition in a Lennard-Jones glass

Citation
K. Vollmayr-lee et al., Cooling rate dependence and dynamic heterogeneity below the glass transition in a Lennard-Jones glass, INT J MOD C, 10(8), 1999, pp. 1443-1451
Citations number
14
Categorie Soggetti
Physics
Journal title
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
ISSN journal
01291831 → ACNP
Volume
10
Issue
8
Year of publication
1999
Pages
1443 - 1451
Database
ISI
SICI code
0129-1831(199912)10:8<1443:CRDADH>2.0.ZU;2-C
Abstract
We investigate a binary Lennard-Jones mixture with molecular dynamics simul ations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma over almost four decades we study the influen ce of the cooling rate on the glass transition and on the resulting glass. We find for all investigated quantities a cooling rate dependence; with dec reasing cooling rate the system falls out of equilibrium at decreasing temp eratures, reaches lower enthalpies and obtains increasing local order. Next we study the dynamics of the melting process by investigating the most imm obile and most mobile particles in the glass. We find that their spatial di stribution is heterogeneous and that the immobile/mobile particles are surr ounded by denser/less dense cages than an average particle.