Molecular dynamics study for diffusion process in amorphous and supercooled liquid Zr67Ni33 alloys

Tomoyasu Aihara; Yoshiyuki Kawazoe; Tsuyoshi Masumoto

doi:10.1016/0921-5107(95)01487-X

Molecular dynamics study for diffusion process in amorphous and supercooled liquid Zr₆₇Ni₃₃ alloys

Tomoyasu Aihara, Yoshiyuki Kawazoe, Tsuyoshi Masumoto

New Industry Creation Hatchery Center (NICHe)

Tohoku University

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

2 Citations (Scopus)

Abstract

The amorphous and liquid Zr₆₇Ni₃₃ alloy is investigated using molecular dynamics simulation. The detail of atom motion in the amorphous and liquid alloys are analyzed by the graphics of atom trajectories. In the amorphous state, the major motion is the thermal vibration. The cooperative jump motion and the slow translational motion are observed as minor motion. The microscopic energy distribution and the amplitude of thermal vibration are analyzed. The microscopic dynamics are discussed with the site energy distribution.

Original language	English
Pages (from-to)	201-204
Number of pages	4
Journal	Materials Science and Engineering B: Solid-State Materials for Advanced Technology
Volume	37
Issue number	1-3
DOIs	https://doi.org/10.1016/0921-5107(95)01487-X
Publication status	Published - 1996 Feb

Keywords

Amorphous alloy
Diffusion
Molecular dynamcis
Thermal vibration

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10.1016/0921-5107(95)01487-X

Cite this

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title = "Molecular dynamics study for diffusion process in amorphous and supercooled liquid Zr67Ni33 alloys",

abstract = "The amorphous and liquid Zr67Ni33 alloy is investigated using molecular dynamics simulation. The detail of atom motion in the amorphous and liquid alloys are analyzed by the graphics of atom trajectories. In the amorphous state, the major motion is the thermal vibration. The cooperative jump motion and the slow translational motion are observed as minor motion. The microscopic energy distribution and the amplitude of thermal vibration are analyzed. The microscopic dynamics are discussed with the site energy distribution.",

keywords = "Amorphous alloy, Diffusion, Molecular dynamcis, Thermal vibration",

author = "Tomoyasu Aihara and Yoshiyuki Kawazoe and Tsuyoshi Masumoto",

note = "Funding Information: The authors are indebted to the Information Science Group of Institute for Materials Research Tohoku University for support of supercomputing system HI-TAC S-3800/380. The authors acknowledge gratefully partial support of this work by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan on Priority Area No. 06230201 and No. 07236205.",

year = "1996",

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doi = "10.1016/0921-5107(95)01487-X",

language = "English",

volume = "37",

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journal = "Materials Science and Engineering B: Solid-State Materials for Advanced Technology",

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T1 - Molecular dynamics study for diffusion process in amorphous and supercooled liquid Zr67Ni33 alloys

AU - Aihara, Tomoyasu

AU - Kawazoe, Yoshiyuki

AU - Masumoto, Tsuyoshi

N1 - Funding Information: The authors are indebted to the Information Science Group of Institute for Materials Research Tohoku University for support of supercomputing system HI-TAC S-3800/380. The authors acknowledge gratefully partial support of this work by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan on Priority Area No. 06230201 and No. 07236205.

PY - 1996/2

Y1 - 1996/2

N2 - The amorphous and liquid Zr67Ni33 alloy is investigated using molecular dynamics simulation. The detail of atom motion in the amorphous and liquid alloys are analyzed by the graphics of atom trajectories. In the amorphous state, the major motion is the thermal vibration. The cooperative jump motion and the slow translational motion are observed as minor motion. The microscopic energy distribution and the amplitude of thermal vibration are analyzed. The microscopic dynamics are discussed with the site energy distribution.

AB - The amorphous and liquid Zr67Ni33 alloy is investigated using molecular dynamics simulation. The detail of atom motion in the amorphous and liquid alloys are analyzed by the graphics of atom trajectories. In the amorphous state, the major motion is the thermal vibration. The cooperative jump motion and the slow translational motion are observed as minor motion. The microscopic energy distribution and the amplitude of thermal vibration are analyzed. The microscopic dynamics are discussed with the site energy distribution.

KW - Amorphous alloy

KW - Diffusion

KW - Molecular dynamcis

KW - Thermal vibration

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M3 - Article

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EP - 204

JO - Materials Science and Engineering B: Solid-State Materials for Advanced Technology

JF - Materials Science and Engineering B: Solid-State Materials for Advanced Technology

IS - 1-3

ER -

Molecular dynamics study for diffusion process in amorphous and supercooled liquid Zr₆₇Ni₃₃ alloys

Abstract

Keywords

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