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.
Original language | English |
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Pages (from-to) | 774-778 |
Number of pages | 5 |
Journal | Intermetallics |
Volume | 16 |
Issue number | 6 |
DOIs | |
Publication status | Published - 2008 Jun 1 |
Keywords
- B. Alloy design
- B. Crystallography
- B. Glasses, metallic
- B. Phase transformation
- E. Phase stability, prediction
ASJC Scopus subject areas
- Chemistry(all)
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry