Molecular dynamics simulations of densification processes in nanocrystalline materials

Huilong Zhu, R. S. Averback

Research output: Contribution to journalArticlepeer-review


Molecular dynamics computer simulations were employed to investigate the dynamic processes of diffusion, grain growth, sintering, and consolidation in nanocrystalline copper (n-Cu). At room temperature, fully dense n-Cu was found to be stable. At 1100 K, a large fraction of atoms in the n-Cu became amorphous which provides a new mechanism of grain growth and recrystallization. Atomic mobility in dense n-Cu decreased with time as the grain boundaries relaxed. The initial configurations of the grains were shown to have a strong influence on pressureless sintering. Both hydrostatic pressure and uniaxial stress loading accelerated the process of densification on porous n-Cu. The latter, however, was found more efficient due to grain boundary sliding.

Original languageEnglish (US)
Pages (from-to)96-100
Number of pages5
JournalMaterials Science and Engineering A
Issue number1-2
StatePublished - Dec 1995


  • Copper
  • Molecular dynamics
  • Nanocrystals

ASJC Scopus subject areas

  • Mechanical Engineering
  • Mechanics of Materials
  • Materials Science(all)
  • Condensed Matter Physics


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