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 journalArticlepeer-review

35 Citations (Scopus)


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
Issue number5
Publication statusPublished - 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.


  • 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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