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Article
Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr1−xCux alloys
Physical Review B
  • S. G. Hao, Iowa State University
  • Cai-Zhuang Wang, Iowa State University
  • M. Z. Li, Iowa State University
  • Ralph E. Napolitano, Iowa State University
  • Kai-Ming Ho, Iowa State University
Document Type
Article
Publication Date
8-26-2011
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
Date Available
2014-09-02
File Format
application/pdf
Citation Information
S. 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/