Molecular Dynamics-Based Tension Simulation of Plastic Deformation of 2D Nanotwinned Copper Under Uniaxial Stress Conditions: Evolution of Dislocations and Secondary Twinning

다국어 초록 (Multilingual Abstract)

Adding nanotwins to a metal could be a way to effectively improve its strength without suppressing its tensile ductility, whichsuggests that their unique nanostructure may alter microstructure evolution and deformation mechanisms. In this work, weperform a molecular dynamics-based tension simulation of two-dimension (2D) polycrystalline copper (Cu) with embeddednanotwins under uniaxial stress conditions. The results of MD-simulation reveal that the spacing of the twin boundarieshad a significant effect on the mechanical properties of nanotwinned materials. Specifically, an irregular relationship isfound between the twin boundary spacing ( DT ) and the strength of the material. It exhibits that the peak stress reached amaximum at DT = 12.5 nm and decreased thereafter with increasing average DT . However, flow stress reaches a maximumat a critical value of DT = 7 nm. According to the analysis of microstructure evolution, the presence of nanotwins hinder themotion of partial dislocations and stacking faults, and the stress-concentrated region leads to the transition from coherenttwin boundaries to incoherency. The stress-concentrated region locates in the step of incoherent would release the intrinsicstacking faults responsible for the formation of hierarchical contraction nanotwins stacking faults which efficiently improvesthe strength of Cu. In addition, as the tension proceeds, some samples begin to display the secondary twinning. This workwill be helpful for further investigation the nucleation and evolution of 2D nanotwinned metals and for formulating effectivestrength criteria for 2D nanotwinned metals.

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