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
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.