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Acta Metall Sin  2018, Vol. 54 Issue (9): 1333-1342    DOI: 10.11900/0412.1961.2018.00009
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Exploring Plastic Deformation Mechanism of MultilayeredCu/Ti Composites by Using Molecular Dynamics Modeling
Haifeng ZHANG, Haile YAN, Nan JIA(), Jianfeng JIN, Xiang ZHAO
Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), School of Material Science and Engineering, Northeastern University, Shenyang 110819, China
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Abstract  

Multilayered metallic composites have attracted great interest because of their excellent characteristics. In recent years, the mechanical behavior of Cu/Ti composites is described in terms of macroscopic or mesoscopic scales, but the micromechanism regarding dislocation slip, twinning and shear banding at heterogeneous interfaces remains unclear. In this work, the molecular dynamics method is used to study the uniaxial tensile and plane strain compression deformation of the Cu/Ti multilayered composites with characteristic initial crystal orientations. The simulation results show that under the tensile load, dislocations are preferentially nucleated at the heterogeneous interface between Cu and Ti, and then slip along {111} plane within the Cu layers. The corresponding mechanism is confined layer slip. With the multiplication of dislocations, dislocations interact with each other, and intrinsic stacking faults and deformation twins are formed in Cu layers. However, no dislocation slip or twinning is activated within the Ti layers at this stage of deformation. As the load increases, the stress concentration at the Cu/Ti interface leads to the fracture of the composites. For the composites under plane strain compression, the stress concentration at the Cu/Ti interface triggers the formation of shear bands in the Ti layer, and there are only very limited dislocations within the shear bands and their adjacent area. With the increase of applied strain, the common action of various deformation mechanisms causes the grains to rotate, and the disorder degree of complex atoms increases. In addition, the micro-plastic deformation mechanism and mechanical properties of Cu/Ti complex with different initial orientations and strain rates are significantly different. The results reveal the microscopic deformation mechanism of the laminated composites containing hcp metals.

Key words:  multilayered composite      dislocation      shear band      plastic deformation      molecular dynamics simulation     
Received:  08 January 2018     
ZTFLH:  TB331  
Fund: Supported by National Natural Science Foundation of China (No.51571057) and Fundamental Research Funds for the Central Universities (No.N170204012)

Cite this article: 

Haifeng ZHANG, Haile YAN, Nan JIA, Jianfeng JIN, Xiang ZHAO. Exploring Plastic Deformation Mechanism of MultilayeredCu/Ti Composites by Using Molecular Dynamics Modeling. Acta Metall Sin, 2018, 54(9): 1333-1342.

URL: 

https://www.ams.org.cn/EN/10.11900/0412.1961.2018.00009     OR     https://www.ams.org.cn/EN/Y2018/V54/I9/1333

Fig.1  Schematics of the Cu/Ti multilayered composites under tension (a) and plane strain compression loading (b) (In models I and III, Cu layers are with the Copper orientation; in models II and IV, Cu layers are with the Goss orientation. Ti layers in all models are with the basal orientation. ha and hb represent the monolayer thickness of the Cu and Ti layers, respectively, ha=hb=5 nm)
Model Layer Axis Orientation
X Y Z
I/III Cu [111] [110] [112] Copper
Ti [1010] [1210] [0001] Basal
II/IV Cu [100] [011] [011] Goss
Ti [1010] [1210] [0001] Basal
Table 1  Initial orientations of Cu and Ti layers in different composite models
Fig.2  Stress-strain curves of multilayered Cu/Ti composites under different deformation modes (The strain rate is 109 s-1; ai~ei—loading points, i—model number)
(a) model I and II during tensile deformation (b) model III and IV under plane strain compression
Fig.3  Atomic configurations of model I under uniaxial tensile loading. For clarity, the side free surfaces atoms and the fcc Cu atoms are not shown (ε —strain)
(a) ε =0.0638 (b) ε =0.074 (c) ε =0.09 (d) ε =0.1122
Fig.4  Atomic configurations of model II under uniaxial tensile loading. For clarity, the side free surfaces atoms and the fcc Cu atoms are not shown
(a) ε =0.0544 (b) ε =0.0718 (c) ε =0.087 (d) ε =0.1092 (e) ε =0.156
Fig.5  Atomic configurations of model III under plane strain compression loading. For clarity, the fcc Cu atoms are not shown
(a) ε =0.061 (b) ε =0.0632 (c) ε =0.0848 (d) ε =0.1026
Fig.6  Atomic configurations of model IV under plane strain compression. For clarity, the fcc Cu atoms are not shown
(a) ε =0.0792 (b) ε =0.0986
Fig.7  Radial distribution functions g(r) of model III (a) and model IV (b) before and after deformation
Fig.8  Stress-strain curves of multilayered Cu/Ti composites under different strain rates(a) model III
(b) model IV
Fig.9  Atomic configurations of model III (a, c) and model IV (b, d) at the strain rate of 1011 s-1
(a) ε =0.154 (b) ε =0.156 (c) ε =0.35 (d) ε =0.346
[1] Misra A, Thilly L.Structural metals at extremes[J]. MRS Bull., 2010, 35: 965
[2] Han W Z, Misra A, Mara N A, et al.Role of interfaces in shock-induced plasticity in Cu/Nb nanolaminates[J]. Philos. Mag., 2011, 91: 4172
[3] Lee S B, LeDonne J E, Lim S C V, et al. The heterophase interface character distribution of physical vapor-deposited and accumulative roll-bonded Cu-Nb multilayer composites[J]. Acta Mater., 2012, 60: 1747
[4] Li X Y, Lu K.Playing with defects in metals[J]. Nat. Mater., 2017, 16: 700
[5] Lu L, Chen X, Huang X, et al.Revealing the maximum strength in nanotwinned copper[J]. Science, 2009, 323: 607
[6] Liu X C, Zhang H W, Lu K.Formation of nanolaminated structure in an interstitial-free steel[J]. Scr. Mater., 2015, 95: 54
[7] Liu X C, Zhang H W, Lu K.Strain-induced ultrahard and ultrastable nanolaminated structure in nickel[J]. Science, 2013, 342: 337
[8] Song H Y, Li Y L.Effect of stacking fault and temperature on deformation behaviors of nanocrystalline Mg[J]. J. Appl. Phys., 2012, 112: 054322
[9] Zhu X Y, Liu X J, Zong R L, et al.Microstructure and mechanical properties of nanoscale Cu/Ni multilayers[J]. Mater. Sci. Eng., 2010, A527: 1243
[10] Hu G X, Cai X, Rong Y H.Fundamentals of Materials Science [M]. 3rd Ed., Shanghai: Shanghai Jiao Tong University Press, 2010: 129(胡赓祥, 蔡珣, 戎咏华. 材料科学基础 [M]. 第3版. 上海: 上海交通大学出版社, 2010: 129)
[11] Zhang R F, Germann T C, Wang J, et al.Role of interface structure on the plastic response of Cu/Nb nanolaminates under shock compression: Non-equilibrium molecular dynamics simulations[J]. Scr. Mater., 2013, 68: 114
[12] Liu Y, Bufford D, Wang H, et al.Mechanical properties of highly textured Cu/Ni multilayers[J]. Acta Mater., 2011, 59: 1924
[13] Chen S D, Zhou Y K, Soh A K.Molecular dynamics simulations of mechanical properties for Cu(001)/Ni(001) twist boundaries[J]. Comput. Mater. Sci., 2012, 61: 239
[14] Yuan F P, Wu X L.Layer thickness dependent tensile deformation mechanisms insub-10 nm multilayer nanowires[J]. J. Appl. Phys., 2012, 111: 124313
[15] Wang J, Misra A, Hoagland R G, et al.Slip transmission across fcc/bcc interfaces with varying interface shear strengths[J]. Acta Mater., 2012, 60: 1503
[16] Zhang R F, Wang J, Beyerlein I J, et al.Atomic-scale study of nucleation of dislocations from fcc-bcc interfaces[J]. Acta Mater., 2012, 60: 2855
[17] McKeown J, Misra A, Kung H, et al. Microstructures and strength of nanoscale Cu-Ag multilayers[J]. Scr. Mater., 2002, 46: 593
[18] Kang B C, Kim H Y, Kwon O Y, et al.Bilayer thickness effects on nanoindentation behavior of Ag/Ni multilayers[J]. Scr. Mater., 2007, 57: 703
[19] Carpenter J S, Vogel S C, Ledonne J E, et al.Bulk texture evolution of Cu-Nb nanolamellar composites during accumulative roll bonding[J]. Acta Mater., 2012, 60: 1576
[20] Niu J J, Zhang J Y, Liu G, et al.Size-dependent deformation mechanisms and strain-rate sensitivity in nanostructured Cu/X (X=Cr, Zr) multilayer films[J]. Acta Mater., 2012, 60: 3677
[21] Kim Y, Budiman A S, Baldwin J K, et al.Microcompression study of Al-Nb nanoscale multilayers[J]. J. Mater. Res., 2012, 27: 592
[22] Gupta M, Amir S M, Gupta A, et al.Surfactant mediated growth of Ti/Ni multilayers[J]. Appl. Phys. Lett., 2011, 98: 101912
[23] Zhang J Y, Zhang X, Niu J J, et al.Length scale dependent mechanical/electrical properties of Cu/X (X=Cr, Nb) nanostructured metallic multilayers[J]. Acta Metall. Sin., 2011, 47: 1348(张金钰, 张欣, 牛佳佳等. Cu/X (X=Cr, Nb)纳米多层膜力/电学性能的尺度依赖性[J]. 金属学报, 2011, 47: 1348)
[24] Hosseini M, Pardis N, Manesh H D, et al.Structural characteristics of Cu/Ti bimetal composite produced by accumulative roll-bonding (ARB)[J]. Mater. Des., 2017, 113: 128
[25] Hosseini M, Manesh H D, Eizadjou M.Development of high-strength, good-conductivity Cu/Ti bulk nano-layered composites by a combined roll-bonding process[J]. J. Alloys Compd., 2017, 701: 127
[26] Jia N, Roters F, Eisenlohr P, et al.Simulation of shear banding in heterophase co-deformation: Example of plane strain compressed Cu-Ag and Cu-Nb metal matrix composites[J]. Acta Mater., 2013, 61: 4591
[27] Jia N, Raabe D, Zhao X.Crystal plasticity modeling of size effects in rolled multilayered Cu-Nb composites[J]. Acta Mater., 2016, 111: 116
[28] Zhao Y H, Bingert J F, Liao X Z, et al.Simultaneously increasing the ductility and strength of ultra-fine-grained pure copper[J]. Adv. Mater., 2006, 18: 2949
[29] Wang Y N, Huang J C.Texture analysis in hexagonal materials[J]. Mater. Chem. Phys., 2003, 81: 11
[30] Wen Y H, Zhu Z D, Zhu R Z.Molecular dynamics study of the mechanical behavior of nickel nanowire: Strain rate effects[J]. Comput. Mater. Sci., 2008, 41: 553
[31] Kim Y M, Lee B J. A semi-empirical interatomic potential for the Cu-Ti binary system [J]. Mater. Sci. Eng., 2007, A449-451: 733
[32] Stukowski A.Visualization and analysis of atomistic simulation data with OVITO—The open visualization tool[J]. Modell. Simul. Mater. Sci. Eng., 2009, 18: 015012
[33] Stukowski A, Albe K.Extracting dislocations and non-dislocation crystal defects from atomistic simulation data[J]. Modell. Simul. Mater. Sci. Eng., 2010, 18: 085001
[34] Zhou H J, Xian Y H, Wu R N, et al.Formation of gold composite nanowires using cold welding: A structure-based molecular dynamics simulation[J]. CrystEngComm, 2017, 19: 6347
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