Abstract
Molecular dynamics simulation was performed to investigate the influence of twin boundary (TB) spacing on crack propagation of Al. This study reveals the orientation of initial crack may affect the mechanism of crack growth obviously. TB strengthens Al when the crack orientation is parallel with TB because of the hinderance of TB to the emission of the dislocations. The results indicate that there is an optimal TB spacing for mechanical properties of the Al, exhibiting reverse HP (Hall-Petch) and HP effect when the TB spacing is near the critical TB spacing. Furthermore, we find that there is a yield strength hardening effect in nanotwinned Al when the crack orientation is perpendicular to the TB, and the Young’s modulus is smaller in the nanotwinned Al than that of twin free Al. The studies also demonstrate that this distinctive deformation behavior is related to nucleation of dislocations and the repulsive force of TB to the dislocations and crack propagation, as well as the distance between the crack tip and the TB.
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References
Griffith A A. The phenomena of rupture and flow in solids. Philos Trans R Soc London A, 1921, 221: 163–198
Lin E Q, Niu L S, Shi H J, et al. Molecular dynamics study on the nano-void growth and coalescence at grain boundary. Sci China-Phys Mech Astron, 2012, 55: 86–93
Fang D N, Liu B, Sun C T. Fatigue crack growth in ferroelectric ceramics driven by alternating electric fields. J Am Ceram Soc, 2004, 87: 840–846
Liu B, Qiu X, Huang Y, et al. The size effect on void growth in ductile materials. J Mech Phys Solids, 2003, 51: 1171–1187
Shao Y, Zhao H P, Feng X Q, et al. Discontinuous crack-bridging model for fracture toughness analysis of nacre. J Mech Phys Solids, 2012, 60: 1400–1419
Fu X L, Wang G F, Feng X Q. Surface effects on mode-I crack tip fields: A numerical study. Eng Fract Mech, 2010, 77: 1048–1057
Yang Z Y, Lu Z X, Zhao Y P. Atomistic simulation on size-dependent yield strength and defects evolution of metal nanowires. Comput Mater Sci, 2009, 46: 142–150
Wang B B, Wang F C, Zhao Y P. Understanding formation mechanism of ZnO diatomic chain and multi-shell structure using physical mechanics: Molecular dynamics and first-principle simulations. Sci China-Phys Mech Astron, 2012, 55: 1138–1146
Tang Q H. Effect of size on mechanical behavior of Au pillars by molecular dynamics study. Sci China-Phys Mech Astron, 2012, 55: 1111–1117
Liu X M, Yang X B, Wei Y G. Yielding behavior of copper nanowire in the presence of vacancies. Sci China-Phys Mech Astron, 2012, 55: 1010–1017
Qu S, Zhang P, Wu S D, et al. Twin boundaries: Strong or weak? Scripta Mater, 2008, 59: 1131–1134
Thompson N, Wadsworth N J, Louat N. The origin of fatigue fracture in copper. Philos Mag, 1956, 1: 113–126
Forsyth P J E. Exudation of Material from Slip Bands at the Surface of Fatigue Crystals of an Aluminum Copper Alloy. Nature, 1953, 171: 172–173
Zhang Z F, Wang Z G, Li S X. Fatigue cracking possibility along grain boundaries and persistent slip bands in copper bicrystals. Fatigue Fract Eng Mater Struct, 1998, 21: 1307–1316
Zhang Z F, Wang Z G. Cyclic deformation features of a copper bicrystal with embedded grains and surrounding grain boundary. Mater Sci Eng A, 1999, 271: 449–457
Zhang Z F, Wang Z G. Dependence of intergranular fatigue cracking on the interactions of persistent slip bands with grain boundaries. Acta Mater, 2003, 51: 347–364
Lu L, Shen Y F, Chen X H, et al. Ultrahigh Strength and High Electrical Conductivity in Copper. Science, 2004, 304: 422–426
Li X Y, Wei Y J, Lu L, et al. Dislocation nucleation governed softening and maximum strength in nano-twinned metals. Nature, 2010, 464: 877–880
Lu L, Chen X, Huang X, et al. Revealing the Maximum Strength in Nanotwinned Copper. Science, 2009, 323: 607–610
Cao A J, Wei Y G, Ma E. Grain boundary effects on plastic deformation and fracture mechanisms in Cu nanowires: Molecular dynamics simulations. Phys Rev B, 2008, 77: 195429
Deng C, Sansoz F. Near-Ideal Strength in Gold Nanowires Achieved through Microstructural Design. ACS Nano, 2009, 3: 3001–3008
Zheng Y G, Lu J, Zhang H W, et al. Strengthening and toughening by interface-mediated slip transfer reaction in nanotwinned copper. Scripta Mater, 2009, 60: 508–511
Wei Y J. Scaling of maximum strength with grain size in nanotwinned fcc metals. Phys Rev B, 2011, 83: 132104
Qu S X, Zhou H F. Atomistic mechanisms of microstructure evolution in nanotwinned polycrystals. Scripta Mater, 2011, 65: 265–268
Zhou H F, Qu S X. The effect of nanoscale twin boundaries on fracture toughness in nanocrystalline Ni. Nanotechnology, 2010, 21: 035706
Song H Y, Li Y L. Effect of twin boundary spacing on deformation behavior of nanotwinned magnesium. Phys Lett A, 2012, 376: 529–533
Song H Y, Li Y L. Atomic simulations of effect of grain size on deformation behavior of nano-polycrystal magnesium. J Appl Phys, 2012, 111: 044322–5
Song H Y, Li Y L. Effect of stacking fault and temperature on deformation behaviors of nanocrystalline Mg. J Appl Phys, 2012, 112: 054322–4
An M R, Song H Y, Su J F. Effects of twin and stacking fault on deformation behaviours of Al nanowires under tension loading. Chin Phys B, 2012, 21: 106202
Cleri F, Rosato V. Tight-binding potentials for transition metals and alloys. Phys Rev B, 1993, 48: 22–23
Faken D, Jonsson H. Systematic analysis of local atomic structure combined with 3D computer graphics. Comput Mater Sci, 1994, 2: 279–286
Stukowski A. Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool. Modelling Simul Mater Sci Eng, 2010, 18: 015012
Zhang L F, Zhou H F, Qu S X. Blocking effect of twin boundaries on partial dislocation emission from void surfaces. Nanoscale Res Lett, 2012, 7: 164
Guo X, Xia Y Z. Repulsive force vs. source number: Competing mechanisms in the yield of twinned gold nanowires of finite length. Acta Mater, 2011, 59: 2350–2357
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An, M., Song, H. Atomic simulations of influence of twinning on crack propagation of Al. Sci. China Phys. Mech. Astron. 56, 1938–1944 (2013). https://doi.org/10.1007/s11433-013-5228-9
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DOI: https://doi.org/10.1007/s11433-013-5228-9