Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr1−xCux alloysPhysical Review B
AbstractUsing ab initio molecular dynamics simulations, we find direct evidence that icosahedral clusters have a strong tendency to aggregate in Zr1−xCux liquids. Remarkably, the dynamic arrest effect is much more significant in aggregated icosahedral clusters than in nonaggregated ones by a factor of 2 or more. Simulations using a lattice model demonstrate that the dynamic arrest effect resulting from the aggregation of icosahedral clusters may be a fundamental characteristic of the glass transition. Our studies provide an atomistic structural mechanism for dynamic arrest and glass formation.
Copyright OwnerAmerican Physical Society
Citation InformationS. G. Hao, Cai-Zhuang Wang, M. Z. Li, Ralph E. Napolitano, et al.. "Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr1−xCux alloys" Physical Review B Vol. 84 (2011) p. 064203
Available at: http://works.bepress.com/ralph_napolitano/4/