Abstract
The effects of individual layer thickness, indentation velocity, and temperature on the mechanical properties and mechanics of nanoscale Au/Cu multilayers under indentation were studied using molecular dynamics simulations based on the many-body embedded-atom potential. The simulation results show that layer interfaces act as strong barriers that resist the propagation of dislocations, even at an extremely small individual layer thickness of 3 nm. The number of dislocations increases significantly and the growth of dislocations decreases with decreasing individual layer thickness. There is no clear relationship between the magnitude of the required indentation force and the number of film layers; however, the average required indentation force increases with increasing indentation velocity and decreasing temperature. During indentation at a relatively low velocity, dislocation propagation is more significant; the number of disordered atoms significantly increases at a relatively high indentation velocity.
Similar content being viewed by others
References
Meyers MA, Mishra A, Benson DJ (2006) Mechanical properties of nanocrystalline materials. Prog Mater Sci 51:427–556
Hodes G (2007) When small is different: some recent advances in concepts and applications of nanoscale phenomena. Adv Mater 19:639–655
Li YP, Zhu XF, Zhang GP, Tan J, Wang W, Wu B (2010) Investigation of deformation instability of Au/Cu multilayers by indentation. Philos Mag 90:3049–3067
Kang BC, Kim HY, Kwon OY, Hong SH (2007) Bilayer thickness effects on nanoindentation behavior of Ag/Ni multilayers. Scr Mater 57:703–706
Wu CD, Jiang WX (2017) Atomistic simulation of effects of temperature and velocity on tensile-deformed Au/Cu/Au/Cu films. Thin Solid Films 638:258–263
Wu CD, Tsa HW (2017) Atomistic simulation study of tensile deformation in nanocrystalline and single-crystal Au. J Mol Model 23:114–1-6
Rabady RI, Ababneh A (2014) Global optimal design of optical multilayer thin-film filters using particle swarm optimization. Optik 125:548–553
Li X, Bhushan B (2001) Micro/nanomechanical and tribological studies of bulk and thin-film materials used in magnetic recording heads. Thin Solid Films 398-399:313–319
Xu ZH, Li X (2006) Sample size effect on nanoindentation of micro−/nanostructures. Acta Mater 54:1699–1703
Li X, Bhushan B, Takashima K, Baek CW, Kim YK (2003) Mechanical characterization of mirco/nanoscale structure for MEMS/NEMS applications using nanoindentation techniques. Ultramicroscopy 97:481–494
Misra A, Verdier M, Lu YC, Kung H, Mitchell TE, Nastasi M, Embury JD (1998) Structure and mechanical properties of cu-X (X = Nb, Cr, Ni) nanolayered composites. Scr Mater 39:555–560
Zhu XF, Zhang GP (2009) Tensile and fatigue properties of ultrafine Cu–Ni multilayers. J Phys D Appl Phys 42:055411–1-6
Wen SP, Zong RL, Zeng F, Gao Y, Pan F (2008) Investigation of the wear behaviors of Ag/cu multilayers by nanoscratch. Wear 265:1808–1813
Zheng S, Beyerlein IJ, Carpenter JS, Kang K, Wang J, Han W, Mara NA (2013) High-strength and thermally stable bulk nanolayered composites due to twin-induced interfaces. Nat Commun 4:1696–1703
Zhang GP, Liu Y, Wang W (2006) Experimental evidence of plastic deformation instability in nanoscale Au/Cu multilayers. Appl Phys Lett 88:013105
Cao Y, Zhang J, Liang Y, Yu F, Sun T (2010) Mechanical and tribological properties of Ni/Al multilayers—a molecular dynamics study. Appl Surf Sci 257:847–851
Cheng D, Yan ZJ, Yan L (2007) Misfit dislocation network in cu/Ni multilayers and its behaviors during scratching. Thin Solid Films 515:3698–3703
Zhang RF, Germann TC, Liu XY, Wang J, Beyerlein IJ (2014) Layer size effect on the shock compression behavior of fcc-bcc nanolaminates. Acta Mater 79:74–83
Zhang RF, Wang J, Beyerlein IJ, Misra A, Germann TC (2012) Atomic-scale study of nucleation of dislocations from fcc–bcc interfaces. Acta Mater 60:2855–2865
Wang J, Zhou CZ, Beyerlein IJ, Shao S (2014) Modeling interface-dominated mechanical behavior of nanolayered crystalline composites. JOM 66(1):102–113
Wang J, Zhang RF, Zhou CZ, Beyerlein IJ, Misra A (2014) Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centeredcubic bicrystal interfaces. Int J Plast 53:40–55
Beyerlein IJ, Wang J, Zhang RF (2013) Interface-dependent nucleation in nanostructured layered composites. APL Mater 1:032112
Wang J, Misra A (2011) An overview of interface-dominated deformation mechanisms in metallic multilayers. Curr Opin Solid State Mater Sci 15:20–28
Fu T, Peng X, Chen X, Weng S, Hu N, Li Q, Wang Z (2016) Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter. Sci Rep 6:35665
Fang TH, Wu JH (2008) Molecular dynamics simulations on nanoindentation mechanisms of multilayered films. Comput Mater Sci 43:785–790
Medyanik SN, Shao S (2009) Strengthening effects of coherent interfaces in nanoscale metallic bilayers. Comput Mater Sci 45:1129–1133
Christopher D, Smith R, Richter A (2001) Atomistic modelling of nanoindentation in iron and silver. Nanotechnology 12:372–383
Holm EA, Olmsted DL, Foiles SM (2010) Comparing grain boundary energies in face-centered cubic metals: Al, Au, Cu and Ni. Scr Mater 63:905–908
Honeycutt JD, Andemen HC (1987) Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. J Phys Chem 91:4950–4963
Faken D, Jonsson H (1994) Systematic analysis of local atomic structure combined with 3D computer graphics. Comput Mater Sci 2:279–286
Yuan L, Xu Z, Shan D, Guo B (2013) Molecular dynamics study on the equal biaxial tension of Cu/Ag bilayer films. Appl Surf Sci 282:450–455
Fang TH, Weng CI, Chang JG (2003) Molecular dynamics analysis of temperature effects on nanoindentation measurement. Mater Sci Eng A: Struct Mater Prop Microstruct 357:7–12
Roy D, Manna A, Sen Gupta SP (1972) The application of the Morse potential function in ordered Cu3Au and Au3Cu alloys. J Phys F: Met Phys 2:1092–1099
Acknowledgments
This work was supported by the Ministry of Science and Technology of Taiwan under grants MOST 106-2221-E-033-023 and MOST 104-2221-E-033-062-MY2.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Wu, CD., Jiang, WX. Molecular dynamics study on deformation and mechanics of nanoscale Au/Cu multilayers under indentation. J Mol Model 24, 253 (2018). https://doi.org/10.1007/s00894-018-3792-7
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s00894-018-3792-7