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武汉大学学报 英文版 | Wuhan University Journal of Natural Sciences
Wan Fang
Wuhan University
Latest Article
Effects of Strain Rate, Temperature and Grain Size on the Mechanical Properties and Microstructure Evolutions of Polycrystalline Nickel Nanowires: A Molecular Dynamics Simulation
RUAN Zhigang, WU Wenping, LI Nanlin
School of Civil Engineering, Wuhan University, Wuhan 430072, Hubei, China
Through molecular dynamics (MD) simulation, the dependencies of temperature, grain size and strain rate on the mechanical properties were studied. The simulation results demonstrated that the strain rate from 0.05 to 2 ns–1 affected the Young’s modulus of nickel nanowires slightly, whereas the yield stress increased. The Young’s modulus decreased approximately linearly; however, the yield stress firstly increased and subsequently dropped as the temperature increased. The Young’s modulus and yield stress increased as the mean grain size increased from 2.66 to 6.72 nm. Moreover, certain efforts have been made in the microstructure evolution with mechanical properties association under uniaxial tension. Certain phenomena such as the formation of twin structures, which were found in nanowires with larger grain size at higher strain rate and lower temperature, as well as the movement of grain boundaries and dislocation, were detected and discussed in detail. The results demonstrated that the plastic deformation was mainly accommodated by the motion of grain boundaries for smaller grain size. However, for larger grain size, the formations of stacking faults and twins were the main mechanisms of plastic deformation in the polycrystalline nickel nanowire.
Key words:polycrystalline nickel nanowires; mechanical properties; temperature; grain size; molecular dynamics (MD) simulation
CLC number:TB 12
[1]	Gleiter H. Nanostructured materials: Basic concepts and microstructure [J]. Acta Materialia, 2000, 48(1): 1-29. 
[2]	Lu L, Shen Y, Chen X, et al. Ultrahigh strength and high electrical conductivity in copper [J]. Science, 2004, 304 (5669): 422-426.
[3]	Derlet P M, Van Swygenhoven H. Length scale effects in the
simulation of deformation properties of nanocrystalline met-
als [J]. Scripta Materialia, 2002, 47(11):719-724. 
[4]	Postma H W C, Kozinsky I, Husain A, et al. Dynamic range of nanotube- and nanowire-based electromechanical systems [J]. Applied Physics Letters, 2005, 86(22): 223105.
[5]	Tonisch K, Cimalla V, Will F, et al. Nanowire-based elec-tromechanical biomimetic sensor [J]. Physica E, 2007, 37(1- 2): 208-211.
[6]	Lieber C M. One-dimensional nanostructures: Chemistry, physics & applications [J]. Solid State Communications, 1998, 107(11): 607-616.
[7]	Branicio P S, Rino J. Large deformation and amorphization of Ni nanowires under uniaxial strain: A molecular dy-namics study [J]. Physical Review B, 2000, 62(24): 16950- 16955.
[8]	Wen Y H, Zhu Z Z, Shao G F, et al. The uniaxial tensile deformation of Ni nanowire: Atomic-scale computer simulations [J]. Physica E, 2005, 27(1-2): 113-120. 
[9]	Huang D, Zhang Q, Qiao P. Molecular dynamics evaluation of strain rate and size effects on mechanical properties of FCC nickel nanowires [J]. Computational Materials Science, 2011, 50(3): 903-910. 
[10]	Setoodeh A R, Attariani H, Khosrownejad M. Nickel nan-owires under uniaxial loads: A molecular dynamics simula-tion study [J]. Computational Materials Science, 2008, 44(2): 378-384.
[11]	Wang W, Yi C, Fan K. Molecular dynamics study on tem-perature and strain rate dependences of mechanical tensile properties of ultrathin nickel nanowires [J]. Transactions of Nonferrous Metals Society of China, 2013, 23(11): 3353- 3361.
[12]	Wu H A. Molecular dynamics study of the mechanics of metal nanowires at finite temperature [J]. European Journal of Mechanics A/Solids, 2006, 25(2): 370-377.
[13]	Wu H A. Molecular dynamics study on mechanics of metal nanowire [J]. Mechanics Research Communications, 2006, 33(1): 9-16. 
[14]	Park H S, Zimmerman J A. Modeling inelasticity and failure in gold nanowires [J]. Physical Review B, 2005, 72(5): 1-9.
[15]	Gan Y, Chen J K. Molecular dynamics study of size, temperature and strain rate effects on mechanical properties of gold nanofilms [J]. Applied Physics A, 2009, 95(2): 357-362. 
[16]	Yuan L, Shan D, Guo B. Molecular dynamics simulation of tensile deformation of nano-single crystal aluminum [J]. Journal of Materials Processing Technology, 2007, 184(1-3): 1-5. 
[17]	Chen M Q, Quek S S, Sha Z D, et al. Effects of grain size, temperature and strain rate on the mechanical properties of polycrystalline graphene—A molecular dynamics study [J]. Carbon, 2015, 85(14): 135-146.
[18]	Kadau K, Germann T C, Lomdahl P S, et al. Molecular dynamics study of mechanical deformation in nanocrystalline aluminum [J]. Metallurgical and Materials Transactions A, 2004, 35(9): 2719-2723.
[19]	Dongare A M, Rajendran A M, Lamattina B, et al. Ten-sion-compression asymmetry in nanocrystalline Cu: High strain rate vs. quasi-static deformation [J]. Computational Materials Science, 2010, 49(2): 260-265.
[20]	Zhou K, Liu B, Yao Y, et al. Effects of grain size and shape on mechanical properties of nanocrystalline copper investi-gated by molecular dynamics [J]. Materials Science and Engineering A, 2014, 615: 92-97.
[21]	Li X, Hu W, Xiao S, et al. Molecular dynamics simulation of polycrystalline molybdenum nanowires under uniaxial tensile strain: Size effects [J]. Physica E, 2008, 40(10): 3030-3036.
[22]	Tucker G J, Tiwari S, Zimmerman J A, et al. Investigating the deformation of nanocrystalline copper with microscale kinematic metrics and molecular dynamics [J]. Journal of the Mechanics and Physics of Solids, 2012, 60(3): 471-486.
[23]	Rupert T J. Strain localization in a nanocrystalline metal: Atomic mechanisms and the effect of testing conditions [J]. Journal of Applied Physics, 2013, 114(3): 4041.
[24]	Plimpton S J. Fast parallel algorithms for short-range molecular dynamics [J]. Journal of Computational Physics, 1995, 117(1): 1-19. 
[25]	Mishin Y, Farkas D, Mehl M J, et al. Interatomic potentials for monoatomic metals from experimental data and ab initio calculations [J]. Physical Review B, 1999, 59(5): 3393-3402.
[26]	Huang D, Zhang Q, Qiao P. Molecular dynamics evaluation of strain rate and size effects on mechanical properties of FCC nickel nanowires [J]. Computational Materials Science, 2011, 50(3): 903-910.
[27]	Sansoz F, Dupont V. Nanoindentation and plasticity in nanocrystalline Ni nanowires: A case study in size effect mitigation [J]. Scripta Materialia, 2010, 63(11): 1136-1139.
[28]	Wu Z X, Zhang Y W, Jhon M H, et al. Anatomy of nano-material deformation: Grain boundary sliding, plasticity and cavitation in nanocrystalline Ni [J]. Acta Materialia, 2013, 61(15): 5807-5820.
[29]	Li J. Atomeye: An efficient atomistic configuration viewer [J]. Modelling and Simulation in Materials Science and Engineering, 2003, 1: 173-177.
[30]	Honeycutt J D, Andersen H C. Molecular dynamics study of melting and freezing of small Lennard-Jones clusters [J]. The Journal of Physical Chemistry, 1987, 91(19): 4950-4963.
[31]	Born M, Huang K, Lax M. Dynamical theory of crystal lattices[J]. American Journal of Physics, 1954, 39(2): 113-127.
[32]	Schiøtz J, Vegge T, Di Tolla F, et al. Atomic-scale simula-tions of the mechanical deformation of nanocrystalline metals [J]. Physical Review B, 1999, 60(17): 11971-11983.
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