Mt. Cicerone et al., TRANSLATIONAL DIFFUSION ON HETEROGENEOUS LATTICES - A MODEL FOR DYNAMICS IN GLASS-FORMING MATERIALS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(43), 1997, pp. 8727-8734
Simulations of translational motion on lattices with spatially heterog
eneous dynamics have been performed, Translation occurs by nearest nei
ghbor jumps on a three-dimensional simple cubic lattice. The overall l
attice is subdivided into cubic blocks. The rate for jumps within a gi
ven block is controlled by the local relaxation time (or rotation time
) for that block. Blocks exchange their local relaxation times on a sp
ecified time scale. If the local distribution of relaxation times is g
iven by a Kohlrausch-Williams-Watts distribution, the simulation resul
ts can reproduce experimental observations of enhanced translational d
iffusion in supercooled liquids. This adds further weight to arguments
that dynamics in deeply supercooled liquids are spatially heterogeneo
us and that this heterogeneity is responsible for the non-exponential
relaxation functions which are often observed. For systems with only t
wo local relaxation times, the simulation results are in good agreemen
t with effective medium theory.