P. Jund et al., LOCAL INVESTIGATION OF THE GLASS-TRANSITION - MOLECULAR-DYNAMICS AND VORONOI TESSELLATION, Europhysics letters, 37(8), 1997, pp. 547-552
A model glass is studied by classical molecular dynamics and the Voron
oi cells are determined at various times and temperatures. All their c
haracteristics of physical interest are studied as a function of tempe
rature. In particular, as temperature increases in the glass phase, th
e fraction of 4- and 6-edged faces (encircling disclination defect lin
es) increases at the cost of 5-edged faces. At the glass transition th
is trend is reversed and a majority of pentagons is recovered in the l
iquid phase. These results shed new light on the evolution of the loca
l structure through the glass transition.