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A molecular dynamics simulation study on the deformation behavior for nanotwinned polycrystalline copper

  • Author / Creator
    Marchenko, Arina
  • Present research is focused on the mechanical behavior of nanoscale copper with growth twins. Atomistic calculation (Molecular Dynamics simulation) with embedded-atom method potential was used to study the fundamental deformation processes that occur in columnar nanocrystalline copper. The research also investigates the influences of twin spacing and grain size on the deformation characteristics and properties of materials. Simulation results have shown that a material’s strength and toughness can be enhanced by introducing twin boundaries within nanocrystalline grains. Nanotwins act as obstacles to dislocation motion that leads to the strengthening of nanotwinned structures, as well as sources of dislocation nucleation contributing to the toughness of the materials. The enhancement of the properties is more pronounced when the twin boundaries are close enough to the grain boundaries. At extremely small distance, the strength of the nanotwinned models is found to exhibit an inverse relationship. The deformation behavior in different grains depends upon their orientation with respect to the loading direction. The study has also revealed that grain-size refinement in nanotwinned models may deteriorate materials properties.

  • Subjects / Keywords
  • Graduation date
    2012-06
  • Type of Item
    Thesis
  • Degree
    Master of Science
  • DOI
    https://doi.org/10.7939/R3CS6G
  • License
    This thesis is made available by the University of Alberta Libraries with permission of the copyright owner solely for non-commercial purposes. This thesis, or any portion thereof, may not otherwise be copied or reproduced without the written consent of the copyright owner, except to the extent permitted by Canadian copyright law.
  • Language
    English
  • Institution
    University of Alberta
  • Degree level
    Master's
  • Department
    • Department of Chemical and Materials Engineering
  • Supervisor / co-supervisor and their department(s)
    • Zhang, Hao (Chemical and Materials Engineering)
  • Examining committee members and their departments
    • De Klerk, Arno (Chemical and Materials Engineering)
    • Zeng, Hongbo (Chemical and Materials Engineering)
    • Liu, Yang (Civil and Environmental Engineering)
    • Zhang, Hao (Chemical and Materials Engineering)