Document Type

Article

Publication Date

8-26-2011

Journal or Book Title

Physical Review B

Volume

84

First Page

064203

DOI

0.1103/PhysRevB.84.064203

Abstract

Using 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.

Comments

This article is from Physical Review B 84 (2011): 064203, doi:10.1103/PhysRevB.84.064203. Posted with permission.

Copyright Owner

American Physical Society

Language

en

File Format

application/pdf

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