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

A. Takeuchi; K. Yubuta; Y. 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, Y. 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 - Jun 2008
Externally published	Yes

All Science Journal Classification (ASJC) codes

Chemistry(all)
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/j.intermet.2008.02.013

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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.",

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AU - Takeuchi, A.

AU - Yubuta, K.

AU - Yokoyama, Y.

AU - Yavari, A. R.

AU - Inoue, A.

PY - 2008/6

Y1 - 2008/6

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.

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JO - Intermetallics

JF - Intermetallics

IS - 6

ER -

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

Abstract

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