Noncrystalline structure created through ensemble of clusters in metastable cubic Zr2Ni structure by their random rotations and subsequent annealing

  • Takeuchi A
  • Yubuta K
  • Yokoyama Y
 et al. 
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Abstract

A method to treat a part of atomic arrangements in a crystalline structure as hypothetical clusters was applied to analyze the similarity in local atomic arrangements between a noncrystalline structure and its corresponding crystalline structure. The molecular dynamics (MD) simulation revealed that a metastable cubic Zr2Ni crystalline structure transforms into a noncrystalline structure by permitting random cluster-rotations followed by annealing at a low temperature. The analyses for pair-distribution and interference functions exhibit a feature of noncrystalline structure, and qualitatively reproduce the features of experimental data. © 2008 Elsevier Ltd. All rights reserved.

Author-supplied keywords

  • B. Alloy design
  • B. Crystallography
  • B. Glasses, metallic
  • B. Phase transformation
  • E. Phase stability, prediction

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