Atomistic simulation studies on deformation mechanism of nanocrystalline cobalt

Guangping Zheng, Y. M. Wang, M. Li

Research output: Journal article publicationJournal articleAcademic researchpeer-review

82 Citations (Scopus)


An approach is developed to investigate the deformation behavior of hexagonal close-packed (hcp) nanocrystalline (nc) cobalt by computer simulations. The microstructures are modeled by a grain growth theory, and the mechanical deformation behavior is investigated using molecular dynamics simulation in nc-cobalt samples with an average grain size of 10 nm. The deformation mechanisms are found to involve both full and partial dislocation activities. Despite the small stacking fault energy of nc-cobalt, surprisingly the deformation twinning is not prevalent in the model cobalt sample. The simulation suggests that unlike the easy twinning events in coarse-grained hcp metals, deformation of nanocrystalline cobalt is primarily controlled by partial dislocation slips and stacking faults. The continuous accumulation of deformation faults eventually leads to hcp to face-centred cubic allotropic phase transformation during tension and compression of nc-cobalt.
Original languageEnglish
Pages (from-to)3893-3901
Number of pages9
JournalActa Materialia
Issue number14
Publication statusPublished - 1 Aug 2005
Externally publishedYes


  • Deformation mechanism
  • hcp metals
  • Molecular dynamics simulation
  • Nanocrystalline cobalt
  • Twinning

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys


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