Effect of twist boundary angle on deformation behavior of 1 0 0 FCC copper nanowires

SK Paul, COMPUTATIONAL MATERIALS SCIENCE, 150, 24-32 (2018).

DOI: 10.1016/j.commatsci.2018.03.059

Uniaxial tensile deformation behavior of nano-scale bicrystal copper nanowire with different twist grain boundary which comprises several twist angles is investigated via molecular dynamics simulation to obtain the influence of twist angle on deformation mechanism. The grain boundary twist angle has a significant effect on mechanisms of tensile deformation. Highest amount of twinning activity and creation of staking faults, formation of dislocation locks such as Stair-rod 1/6 1 1 0 dislocation, and Hirth1/3 0 1 0 dislocation are witnessed during tensile deformation of Cu nanowire with twist grain boundary angle of +/- 15 degrees, whereas amount of twinning and creation of staking faults are comparatively less, and dislocation locks are not evident for Cu nanowire with twist grain boundary angle of +/- 30 degrees.

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