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Deformation mechanism of kink-step distorted coherent twin boundaries in copper nanowire

1 Research School of Engineering, Australian National University, Acton, ACT 2601, Australia
2 School of Aeronautical Manufacturing Engineering, Nanchang Hangkong University, Nanchang 330063, China

Topical Section: Nanomaterials, nanoscience and nanotechnology

In the construction of nanotwinned (NT) copper, inherent kink-like steps are formed on growth twin boundaries (TBs). Such imperfections in TBs play a crucial role in the yielding mechanism and plastic deformation of NT copper. Here, we used the molecular dynamic (MD) method to examine the influence of kink-step characteristics in depth, including kink density and kink-step height, on mechanical behavior of copper nanowire (NW) in uniaxial tension. The results showed that the kink-step, a stress-concentrated region, is preferential in nucleating and emitting stress-induced partial dislocations. Mixed dislocation of hard mode I and II and hard mode II dislocation were nucleated from kink-step and surface atoms, respectively. Kink-step height and kink density substantially affected the yielding mechanism and plastic behavior, with the yielding stress functional-related to kink-step height. However, intense kink density (1 kink per 4.4 nm) encourages dislocation nucleation at kink-steps without any significant decline in tensile stress. Defective nanowires with low kink-step height or high kink density offered minimal resistance to kink migration, which has been identified as one of the primary mechanisms of plastic deformation. Defective NWs with refined TB spacing were also studied. A strain-hardening effect due to the refined TB spacing and dislocation pinning was observed for defective NWs. This study has implications for designing NT copper to obtain optimum mechanical performance.
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Keywords molecular dynamic simulation; nanotwins; dislocations; defective twins

Citation: Bobin Xing, Shaohua Yan, Wugui Jiang, Qing H. Qin. Deformation mechanism of kink-step distorted coherent twin boundaries in copper nanowire. AIMS Materials Science, 2017, 4(1): 102-117. doi: 10.3934/matersci.2017.1.102


  • 1. Beyerlein IJ, Zhang X, Misra A (2014) Growth twins and deformation twins in metals. Annu Rev Materi Res 44: 329–363.    
  • 2. Lu L, Shen Y, Chen X, et al. (2004) Ultrahigh strength and high electrical conductivity in copper. Science 304: 422–426.    
  • 3. Lu L, Chen X, Huang X, et al. (2009) Revealing the maximum strength in nanotwinned copper. Science 323: 607–610.    
  • 4. Xing B, Yan S, Jiang W, et al. (2016) Atomistic study for the vibrational properties on Σ5 symmetric tilt bicrystal copper nanowires. Appl Mech Mater 846: 193–198.    
  • 5. Bufford D, Liu Y, Wang J, et al. (2014) In situ nanoindentation study on plasticity and work hardening in aluminium with incoherent twin boundaries. Nat Commun 5.
  • 6. Zhang Y, Huang H (2009) Do Twin Boundaries Always Strengthen Metal Nanowires? Nanoscale Res Lett 4: 34–38.    
  • 7. Zhang J, Yan Y, Liu X, et al. (2014) Influence of coherent twin boundaries on three-point bending of gold nanowires. J Phys D Appl Phys 47: 195301.    
  • 8. Bezares J, Jiao S, Liu Y, et al. (2012) Indentation of nanotwinned fcc metals: Implications for nanotwin stability. Acta Mater 60: 4623–4635.    
  • 9. Sun J, Fang L, Ma A, et al. (2015) The fracture behavior of twinned Cu nanowires: A molecular dynamics simulation. Mater Sci Eng A 634: 86–90.    
  • 10. Kulkarni Y, Asaro RJ, Farkas D (2009) Are nanotwinned structures in fcc metals optimal for strength, ductility and grain stability? Scripta Mater 60: 532–535.    
  • 11. Gao Y, Sun Y, Yang Y, et al. (2015) Twin boundary spacing-dependent deformation behaviours of twinned silver nanowires. Mol Simulat 1–7.
  • 12. Luo Y, Wang Y, Wang Y, et al. (2009) Intrinsic Strengthening of Coherent Twin Boundaries in Copper. J Mater Sci Technol 25: 211.
  • 13. Jang D, Li X, Gao H, et al. (2012) Deformation mechanisms in nanotwinned metal nanopillars. Nat Nanotechnol 7: 594–601.    
  • 14. Cao AJ, Wei YG, Mao SX (2007) Deformation mechanisms of face-centered-cubic metal nanowires with twin boundaries. Appl Phys Lett 90: 151909.    
  • 15. Wang YM, Sansoz F, LaGrange T, et al. (2013) Defective twin boundaries in nanotwinned metals. Nat Mater 12: 697–702.    
  • 16. Shute C, Myers B, Xie S, et al. (2011) Detwinning, damage and crack initiation during cyclic loading of Cu samples containing aligned nanotwins. Acta Mater 59: 4569–4577.    
  • 17. Wang J, Misra A, Hirth J (2011) Shear response of Σ 3 {112} twin boundaries in face-centered-cubic metals. Phys Rev B 83: 064106.    
  • 18. Fang Q, Sansoz F (2017) Influence of intrinsic kink-like defects on screw dislocation – coherent twin boundary interactions in copper. Acta Mater 123: 383–393.    
  • 19. Marquis E, Medlin D (2005) Structural duality of 1/3⟨111⟩ twin-boundary disconnections. Phil Mag Lett 85: 387–394.
  • 20. Brown J, Ghoniem N (2009) Structure and motion of junctions between coherent and incoherent twin boundaries in copper. Acta Mater 57: 4454–4462.    
  • 21. Plimpton S (1995) Fast Parallel Algorithms for Short-Range Molecular Dynamics. J Comp Phys 117: 1–19.    
  • 22. Mishin Y, Mehl MJ, Papaconstantopoulos DA, et al. (2001) Structural stability and lattice defects in copper:Ab initio, tight-binding, and embedded-atom calculations. Phys Rev B 63.
  • 23. Wen Y-H, Zhu Z-Z, Zhu R-Z (2008) Molecular dynamics study of the mechanical behavior of nickel nanowire: Strain rate effects. Comput Mater Sci 41: 553–560.    
  • 24. Stukowski A (2010) Visualization and analysis of atomistic simulation data with OVITO - the Open Visualization Tool Modelling Simul Mater Sci Eng 18.
  • 25. Faken D, Jónsson H (1994) Systematic analysis of local atomic structure combined with 3D computer graphics. Comput Mate Sci 2: 279–286.    
  • 26. Wang J, Li N, Anderoglu O, et al. (2010) Detwinning mechanisms for growth twins in face-centered cubic metals. Acta Mater 58: 2262–2270.    
  • 27. Li L, An X, Imrich P, et al. (2013) Microcompression and cyclic deformation behaviors of coaxial copper bicrystals with a single twin boundary. Scripta Mater 69: 199–202.    
  • 28. Zhu T, Gao H (2012) Plastic deformation mechanism in nanotwinned metals: an insight from molecular dynamics and mechanistic modeling. Scripta Mater 66: 843–848.    
  • 29. Zhu Y, Wu X, Liao X, et al. (2011) Dislocation–twin interactions in nanocrystalline fcc metals. Acta Mater 59: 812–821.    
  • 30. Li N, Wang J, Misra A, et al. (2011) Twinning dislocation multiplication at a coherent twin boundary. Acta Mater 59: 5989–5996.    
  • 31. Li X, Wei Y, Lu L, et al. (2010) Dislocation nucleation governed softening and maximum strength in nano-twinned metals. Nature 464: 877–880.    
  • 32. Xu L, Xu D, Tu KN, et al. (2008) Structure and migration of (112) step on (111) twin boundaries in nanocrystalline copper. J Appl Phys 104: 113717.    
  • 33. Weertman J (1996) Dislocation based fracture mechanics: World Scientific.


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