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

A. Takeuchi; K. Yubuta; Yoshihiko Yokoyama; A. R. Yavari; A. Inoue

doi:10.1016/j.intermet.2008.02.013

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

A. Takeuchi, K. Yubuta, Yoshihiko Yokoyama, A. R. Yavari, A. Inoue

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

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
Pages (from-to)	774-778
Number of pages	5
Journal	Intermetallics
Volume	16
Issue number	6
DOIs	https://doi.org/10.1016/j.intermet.2008.02.013
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

Access to Document

10.1016/j.intermet.2008.02.013

Cite this

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

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.",

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T1 - Noncrystalline structure created through ensemble of clusters in metastable cubic Zr2Ni structure by their random rotations and subsequent annealing

AU - Takeuchi, A.

AU - Yubuta, K.

AU - Yokoyama, Yoshihiko

AU - Yavari, A. R.

AU - Inoue, A.

PY - 2008/6/1

Y1 - 2008/6/1

N2 - 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.

AB - 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.

KW - B. Alloy design

KW - B. Crystallography

KW - B. Glasses, metallic

KW - B. Phase transformation

KW - E. Phase stability, prediction

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