Abstract
Atomistic simulations were used to explore the plastic deformation and shear band (SB) formation in Cu/Au, Cu/Ag, Cu/Al and Cu/Ni metallic nanolayered composites (MNCs). The analysis reveals that interface dislocation structures in all four MNCs are composed of three sets of edge Shockley partial dislocations. Under external loading, dislocations firstly nucleated from the phase with lower stacking fault energy (SFE) in FCC/FCC MNCs. The SBs formed in Cu/Au and Cu/Ag MNCs and the onset strain of SB increases with the increasing layer thicknesses. While in Cu/Al and Cu/Ni MNCs, the deformation is relatively uniform and each slip plane contains similar amounts of dislocations. The formation of SBs in Cu/Au and Cu/Ag MNCs is induced by the nucleation and growth of deformation twinning in the phase with low SFE. After the formation of SBs, the interface sliding accommodates most plastic strains during the deformation.
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The data sets generated during the current study are available from the corresponding author on a reasonable request.
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The codes are available from the corresponding author on a reasonable request.
References
R.H. Hannink, A.J. Hill, Nanostructure Control of Materials (Woodhead Publishing, Cambridge, 2006)
Y. Ding, Z. Farhat, D. Northwood, A. Alpas, Mechanical properties and tribological behaviour of nanolayered Al/Al2O3 and Ti/TiN composites. Surf. Coat. Technol. 68, 459 (1994)
I. Beyerlein, A. Caro, M. Demkowicz, N. Mara, A. Misra, B. Uberuaga, Radiation damage tolerant nanomaterials. Mater. Today 16(11), 443 (2013)
A. Misra, J. Hirth, R. Hoagland, Length-scale-dependent deformation mechanisms in incoherent metallic multilayered composites. Acta Mater. 53(18), 4817 (2005)
X. Chen, X. Kong, A. Misra, D. Legut, B. Yao, T.C. Germann, R. Zhang, Effect of dynamic evolution of misfit dislocation pattern on dislocation nucleation and shear sliding at semi-coherent bimetal interfaces. Acta Mater. 143, 107 (2018)
M. Monclús, M. Callisti, T. Polcar, L. Yang, J. Molina-Aldareguía, J. Llorca, Effect of layer thickness on the mechanical behaviour of oxidation-strengthened Zr/Nb nanoscale multilayers. J. Mater. Sci. 53(8), 5860 (2018)
S. Dong, T. Chen, S. Huang, N. Li, C. Zhou, Thickness-dependent shear localization in Cu/Nb metallic nanolayered composites. Scr. Mater. 187, 323 (2020)
D. Bhattacharyya, N. Mara, P. Dickerson, R. Hoagland, A. Misra, Transmission electron microscopy study of the deformation behavior of Cu/Nb and Cu/Ni nanoscale multilayers during nanoindentation. J. Mater. Res. 24(3), 1291 (2009)
Y. Li, X. Zhu, G. Zhang, J. Tan, W. Wang, B. Wu, Investigation of deformation instability of Au/Cu multilayers by indentation. Philos. Mag. 90(22), 3049 (2010)
F. Wang, P. Huang, M. Xu, T. Lu, K. Xu, Shear banding deformation in Cu/Ta nano-multilayers. Mater. Sci. Eng. A 528(24), 7290 (2011)
G. Zhang, Y. Liu, W. Wang, J. Tan, Experimental evidence of plastic deformation instability in nanoscale Au/Cu multilayers. Appl. Phys. Lett. 88(1), 013105 (2006)
J. Yan, X. Zhu, B. Yang, G. Zhang, Shear stress-driven refreshing capability of plastic deformation in nanolayered metals. Phys. Rev. Lett. 110(15), 155502 (2013)
Y. Li, X. Zhu, J. Tan, B. Wu, G. Zhang, Two different types of shear-deformation behaviour in Au–Cu multilayers. Philos. Mag. Lett. 89(1), 66 (2009)
S. Zheng, J. Wang, J. Carpenter, W. Mook, P. Dickerson, N. Mara, I. Beyerlein, Plastic instability mechanisms in bimetallic nanolayered composites. Acta Mater. 79, 282 (2014)
X. Zhu, X. Liu, R. Zong, F. Zeng, F. Pan, Microstructure and mechanical properties of nanoscale Cu/Ni multilayers. Mater. Sci. Eng. A 527(4–5), 1243 (2010)
Y. Li, X. Zhu, J. Tan, B. Wu, W. Wang, G. Zhang, Comparative investigation of strength and plastic instability in Cu/Au and Cu/Cr multilayers by indentation. J. Mater. Res. 24(3), 728 (2009)
S. Wen, R. Zong, F. Zeng, Y. Gao, F. Pan, Nanoindentation investigation of the mechanical behaviors of nanoscale Ag/Cu multilayers. J. Mater. Res. 22(12), 3423 (2007)
X. An, Q. Lin, S. Wu, Z. Zhang, R. Figueiredo, N. Gao, T. Langdon, The influence of stacking fault energy on the mechanical properties of nanostructured Cu and Cu–Al alloys processed by high-pressure torsion. Scr. Mater. 64(10), 954 (2011)
S. Shao, J. Wang, I.J. Beyerlein, A. Misra, Glide dislocation nucleation from dislocation nodes at semi-coherent {1 1 1} Cu–Ni interfaces. Acta Mater. 98, 206 (2015)
A. Gola, L. Pastewka, K. Binder, M. Müller, A. Trautmann, Structure of interfaces in Cu|Au nanolaminates, in NIC Symposium (City, 2018), p. 247
S. Shao, J. Wang, A. Misra, Energy minimization mechanisms of semi-coherent interfaces. J. Appl. Phys. 116(2), 023508 (2014)
C. Wang, J. Wang, J. Hu, S. Huang, Y. Sun, Y. Zhu, Q. Shen, G. Luo, Shear localization and mechanical properties of Cu/Ta metallic nanolayered composites: a molecular dynamics study. Metals 12(3), 421 (2022)
M. Damadam, S. Shao, I. Salehinia, G. Ayoub, H.M. Zbib, Molecular dynamics simulations of mechanical behavior in nanoscale ceramic–metallic multilayer composites. Mater. Res. Lett. 5(5), 306 (2017)
X.-Y. Zhou, X.-S. Yang, J.-H. Zhu, F. **ng, Atomistic simulation study of the grain-size effect on hydrogen embrittlement of nanograined Fe. Int. J. Hydrogen Energy 45(4), 3294 (2020)
J. Li, C. Kirchlechner, Does the stacking fault energy affect dislocation multiplication? Mater. Charact. 161, 110136 (2020)
A. Rida, M. Micoulaut, E. Rouhaud, A. Makke, Understanding the strain rate sensitivity of nanocrystalline copper using molecular dynamics simulations. Comput. Mater. Sci. 172, 109294 (2020)
Y. Zhu, X. Liao, S. Srinivasan, Y. Zhao, M. Baskes, F. Zhou, E. Lavernia, Nucleation and growth of deformation twins in nanocrystalline aluminum. Appl. Phys. Lett. 85(21), 5049 (2004)
J. Wang, N. Li, O. Anderoglu, X. Zhang, A. Misra, J. Huang, J. Hirth, Detwinning mechanisms for growth twins in face-centered cubic metals. Acta Mater. 58(6), 2262 (2010)
Y. Zhu, X. Liao, X. Wu, Deformation twinning in bulk nanocrystalline metals: experimental observations. JOM 60(9), 60 (2008)
N. Vo, R.S. Averback, P. Bellon, S. Odunuga, A. Caro, Quantitative description of plastic deformation in nanocrystalline Cu: dislocation glide versus grain boundary sliding. Phys. Rev. B 77(13), 134108 (2008)
J.B. Jeon, B.-J. Lee, Y.W. Chang, Molecular dynamics simulation study of the effect of grain size on the deformation behavior of nanocrystalline body-centered cubic iron. Scr. Mater. 64(6), 494 (2011)
S. Huang, I.J. Beyerlein, C. Zhou, Nanograin size effects on the strength of biphase nanolayered composites. Sci. Rep. 7(1), 1 (2017)
S. Plimpton, Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117(1), 1 (1995)
A. Gola, L. Pastewka, Embedded atom method potential for studying mechanical properties of binary Cu–Au alloys. Model. Simul. Mater. Sci. Eng. 26(5), 055006 (2018)
P. Williams, Y. Mishin, J. Hamilton, An embedded-atom potential for the Cu–Ag system. Model. Simul. Mater. Sci. Eng. 14(5), 817 (2006)
F. Apostol, Y. Mishin, Interatomic potential for the Al–Cu system. Phys. Rev. B 83(5), 054116 (2011)
B. Onat, S. Durukanoğlu, An optimized interatomic potential for Cu–Ni alloys with the embedded-atom method. J. Phys.: Condens. Matter 26(3), 035404 (2013)
A. Gola, L. Pastewka, Scratching Cu|Au nanolaminates. Lubricants 7(5), 44 (2019)
W.G. Nöhring, W. Curtin, Cross-slip of long dislocations in FCC solid solutions. Acta Mater. 158, 95 (2018)
R. Li, H.B. Chew, Planar-to-wavy transition of Cu–Ag nanolayered metals: a precursor mechanism to twinning. Philos. Mag. 95(10), 1029 (2015)
A. Yanilkin, V. Krasnikov, A.Y. Kuksin, A. Mayer, Dynamics and kinetics of dislocations in Al and Al–Cu alloy under dynamic loading. Int. J. Plast. 55, 94 (2014)
G. Esteban-Manzanares, E. Martínez, J. Segurado, L. Capolungo, J. LLorca, An atomistic investigation of the interaction of dislocations with Guinier–Preston zones in Al–Cu alloys. Acta Mater. 162, 189 (2019)
A. Stukowski, Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Model. Simul. Mater. Sci. Eng. 18(1), 015012 (2009)
A. Stukowski, K. Albe, Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Model. Simul. Mater. Sci. Eng. 18(8), 085001 (2010)
J.D. Honeycutt, H.C. Andersen, Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. J. Phys. Chem. 91(19), 4950 (1987)
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This work was supported by NSF CAREER Award (CMMI-2015598).
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Conceptualization: SD, X-YL, YC, CZ; Methodology: SD, CZ; Formal analysis and investigation: SD, CZ; Writing—original draft preparation: SD; Writing—review and editing: SD, CZ, X-YL, YC; Funding acquisition: CZ; Resources: CZ; Supervision: CZ. All authors have read and agreed to the published version of the manuscript.
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Dong, S., Liu, XY., Chen, Y. et al. Atomistic analysis of plastic deformation and shear band formation in FCC/FCC metallic nanolayered composites. Journal of Materials Research 38, 1386–1395 (2023). https://doi.org/10.1557/s43578-023-00898-x
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DOI: https://doi.org/10.1557/s43578-023-00898-x