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 journalArticle

32 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 languageEnglish
Pages (from-to)467-474
Number of pages8
JournalMetals and Materials International
Volume10
Issue number5
Publication statusPublished - 2004 Oct 1

Fingerprint

amorphous materials
Hydrostatic pressure
hydrostatics
hydrostatic pressure
Molecular dynamics
Energy barriers
molecular dynamics
embedded atom method
Computer simulation
Nanocrystallization
simulation
energy levels
nucleation
crystallization
Crystallization
Electron energy levels
energy
room temperature
Nucleation
Temperature

Keywords

  • Amorphous materials
  • Molecular dynamics
  • Nanocrystalline
  • Nucleation
  • Stress-induced crystallization

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Behavior of amorphous materials under hydrostatic pressures : A molecular dynamics simulation study. / Lee, Byeong Joo; Lee, Jae-chul; Kim, Yu Chan; Lee, Sung Hak.

In: Metals and Materials International, Vol. 10, No. 5, 01.10.2004, p. 467-474.

Research output: Contribution to journalArticle

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