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Molecular dynamics study on the grain boundary dislocation source in nanocrystalline copper under tensile loading

Journal Article


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Abstract


  • Grain boundary (GB) is the interface between different oriented crystals of the same material, and it

    can have a significant effect on the many properties of materials. When the average or entire range of

    grain size is reduced to less than 100 nm, the conventional plastic deformation mechanisms

    dominated by dislocation processes become difficult and GBmediated deformation mechanisms

    become increasingly important. One of the mechanisms that can play a profound role in the strength

    and plasticity of metallic polycrystalline materials is the heterogeneous nucleation and emission of

    dislocations from GB. In this study, we conducted molecular dynamics simulations to study the

    dislocation nucleation from copper bicrystal with a number of 〈1 10〉 tilt GBs that covered a wide

    range of misorientation angles (θ).Wewill show from this analysis that the mechanic behavior of GBs

    and the energy barrier of dislocation nucleation from GBs are closely related to the lattice

    crystallographic orientation, GBenergy, and the intrinsic GBstructures. An atomistic analysis of the

    nucleation mechanisms provided details of this nucleation and emission process that can help us to

    better understand the dislocation source in GB.

Publication Date


  • 2015

Citation


  • Zhang, L., Lu, C., Tieu, K., Pei, L., Zhao, X. & Cheng, K. (2015). Molecular dynamics study on the grain boundary dislocation source in nanocrystalline copper under tensile loading. Materials Research Express, 2 (3), 035009-1-035009-14.

Scopus Eid


  • 2-s2.0-84953410711

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=5001&context=eispapers

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/3982

Start Page


  • 035009-1

End Page


  • 035009-14

Volume


  • 2

Issue


  • 3

Abstract


  • Grain boundary (GB) is the interface between different oriented crystals of the same material, and it

    can have a significant effect on the many properties of materials. When the average or entire range of

    grain size is reduced to less than 100 nm, the conventional plastic deformation mechanisms

    dominated by dislocation processes become difficult and GBmediated deformation mechanisms

    become increasingly important. One of the mechanisms that can play a profound role in the strength

    and plasticity of metallic polycrystalline materials is the heterogeneous nucleation and emission of

    dislocations from GB. In this study, we conducted molecular dynamics simulations to study the

    dislocation nucleation from copper bicrystal with a number of 〈1 10〉 tilt GBs that covered a wide

    range of misorientation angles (θ).Wewill show from this analysis that the mechanic behavior of GBs

    and the energy barrier of dislocation nucleation from GBs are closely related to the lattice

    crystallographic orientation, GBenergy, and the intrinsic GBstructures. An atomistic analysis of the

    nucleation mechanisms provided details of this nucleation and emission process that can help us to

    better understand the dislocation source in GB.

Publication Date


  • 2015

Citation


  • Zhang, L., Lu, C., Tieu, K., Pei, L., Zhao, X. & Cheng, K. (2015). Molecular dynamics study on the grain boundary dislocation source in nanocrystalline copper under tensile loading. Materials Research Express, 2 (3), 035009-1-035009-14.

Scopus Eid


  • 2-s2.0-84953410711

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=5001&context=eispapers

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/3982

Start Page


  • 035009-1

End Page


  • 035009-14

Volume


  • 2

Issue


  • 3