Behavior of amorphous materials under hydrostatic pressures: A molecular dynamics simulation study

Byeong Joo Lee; Jae Chul Lee; Yu Chan Kim; Sung Hak Lee

doi:10.1007/BF03027350

Behavior of amorphous materials under hydrostatic pressures: A molecular dynamics simulation study

Byeong Joo Lee, Jae Chul Lee, Yu Chan Kim, Sung Hak Lee

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

36 Citations (Scopus)

Abstract

The atomic structural behavior of amorphous pure Ni under hydrostatic pressures has been investigated through a molecular dynamics simulation study based on a semi-empirical interatomic potential (MEAM). It was observed that the amorphous material crystallizes under hydrostatic compressive pressure but forms nanovoids under hydrostatic tensile pressure at room temperature. These results could be explained by the volume change effect on the nucleation energy barrier during crystallization. Consistent with this explanation, stress induced increase in the energy level (decrease of energy barrier) is proposed as the main reason for the mechanically driven nanocrystallization of amorphous materials.

Original language	English
Pages (from-to)	467-474
Number of pages	8
Journal	Metals and Materials International
Volume	10
Issue number	5
DOIs	https://doi.org/10.1007/BF03027350
Publication status	Published - 2004 Oct

Bibliographical note

Funding Information:
This work has been financially supported by the Ministry of Science and Technology of Korea through the center for Nanostructured Materials Technology under the 21st Century Frontier R&D Program.

Keywords

Amorphous materials
Molecular dynamics
Nanocrystalline
Nucleation
Stress-induced crystallization

ASJC Scopus subject areas

Condensed Matter Physics
Mechanics of Materials
Metals and Alloys
Materials Chemistry

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10.1007/BF03027350

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abstract = "The atomic structural behavior of amorphous pure Ni under hydrostatic pressures has been investigated through a molecular dynamics simulation study based on a semi-empirical interatomic potential (MEAM). It was observed that the amorphous material crystallizes under hydrostatic compressive pressure but forms nanovoids under hydrostatic tensile pressure at room temperature. These results could be explained by the volume change effect on the nucleation energy barrier during crystallization. Consistent with this explanation, stress induced increase in the energy level (decrease of energy barrier) is proposed as the main reason for the mechanically driven nanocrystallization of amorphous materials.",

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author = "Lee, {Byeong Joo} and Lee, {Jae Chul} and Kim, {Yu Chan} and Lee, {Sung Hak}",

note = "Funding Information: This work has been financially supported by the Ministry of Science and Technology of Korea through the center for Nanostructured Materials Technology under the 21st Century Frontier R&D Program.",

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AU - Lee, Byeong Joo

AU - Lee, Jae Chul

AU - Kim, Yu Chan

AU - Lee, Sung Hak

N1 - Funding Information: This work has been financially supported by the Ministry of Science and Technology of Korea through the center for Nanostructured Materials Technology under the 21st Century Frontier R&D Program.

PY - 2004/10

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N2 - The atomic structural behavior of amorphous pure Ni under hydrostatic pressures has been investigated through a molecular dynamics simulation study based on a semi-empirical interatomic potential (MEAM). It was observed that the amorphous material crystallizes under hydrostatic compressive pressure but forms nanovoids under hydrostatic tensile pressure at room temperature. These results could be explained by the volume change effect on the nucleation energy barrier during crystallization. Consistent with this explanation, stress induced increase in the energy level (decrease of energy barrier) is proposed as the main reason for the mechanically driven nanocrystallization of amorphous materials.

AB - The atomic structural behavior of amorphous pure Ni under hydrostatic pressures has been investigated through a molecular dynamics simulation study based on a semi-empirical interatomic potential (MEAM). It was observed that the amorphous material crystallizes under hydrostatic compressive pressure but forms nanovoids under hydrostatic tensile pressure at room temperature. These results could be explained by the volume change effect on the nucleation energy barrier during crystallization. Consistent with this explanation, stress induced increase in the energy level (decrease of energy barrier) is proposed as the main reason for the mechanically driven nanocrystallization of amorphous materials.

KW - Amorphous materials

KW - Molecular dynamics

KW - Nanocrystalline

KW - Nucleation

KW - Stress-induced crystallization

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JO - Metals and Materials International

JF - Metals and Materials International

IS - 5

ER -

Behavior of amorphous materials under hydrostatic pressures: A molecular dynamics simulation study

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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