Abstract
In this paper, we report classical molecular dynamics (MD) simulation deformation studies and fracture behavior of nano-crystalline Al (metal)-Cu50Zr50 (metallic glass) nano-laminates. The samples for the above studies consist of alternate layers of nano-crystalline aluminum and Cu50Zr50 metallic glass (MG). The nano-laminates models of 150 Å × 50 Å × 15 Å have been constructed by taking Al and Cu50Zr50 MG of three different widths ranging from 1 nm–5 nm. The Cu50Zr50 MG is prepared by randomly generating the coordinates and replacing 50% copper atoms by zirconium atoms. EAM (Embedded Atom Method) potential is used for modeling the interaction between Al-Cu-Zr atoms. The models are deformed at a temperature of 300 K and strain rate of 1010 s−1 under mode-I loading conditions. Periodic boundary conditions are applied along the loading direction, while non-periodic along the thickness and width. It is observed that with an increase in width of the MG the nano-laminates strength increases (1.8 GPa). Ductile facture is observed in all the models. The grain boundary process is found to be active in pure nano-crystalline Al while it is insignificant in the laminates. Amorphization is observed in all the laminates at larger strains. The present study gives a significant insight into nano-laminates deformation behavior and underlying mechanism and at metal-metallic glass interface.
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References
Kaneko, T., Tsukamoto, H.: Composite material for medical applications, tube for medical applications and medical instrument. US Pat. App. 10/151,870 (2002)
Kelly, A., Zweben, C.: Comprehensive composite materials (2000)
Middleton, D.: Composite materials in aircraft structures (1990)
Prasad, S., Asthana, R.: Aluminum metal-matrix composites for automotive applications: tribological considerations. Tribol. Lett. 17(3), 445–453 (2004)
Wang, W.H., Dong, C., Shek, C.H.: Bulk metallic glasses. Mater. Sci. Eng. R. Rep. 44, 45–89 (2004)
Scudino, S., Liu, G., Prashanth, K.G.G., et al.: Mechanical properties of Al-based metal matrix composites reinforced with Zr-based glassy particles produced by powder metallurgy. Acta Mater. 57, 2029–2039 (2009)
Lee, M.: Fabrication of Ni–Nb–Ta metallic glass reinforced Al-based alloy matrix composites by infiltration casting process. Scr. Mater. 50, 1367–1371 (2004)
Yu, P., Kim, K.B., Das, J., et al.: Fabrication and mechanical properties of Ni–Nb metallic glass particle-reinforced Al-based metal matrix composite. Scr. Mater. 54, 1445–1450 (2006)
Ward, L., Miracle, D., Windl, W., et al.: Structural evolution and kinetics in Cu-Zr metallic liquids from molecular dynamics simulations. Phys. Rev. B 88, 134205 (2013)
Hirel, P.: Atomsk: a tool for manipulating and converting atomic data files. Comput. Phys. Commun. 197, 212–219 (2015)
Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995)
Zhou, X.W., Johnson, R.A., Wadley, H.N.G.: Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers. Phys. Rev. B 69, 144113 (2004)
Gupta, P., Pal, S., Yedla, N.: Molecular dynamics based cohesive zone modeling of Al (metal)–Cu 50 Zr 50 (metallic glass) interfacial mechanical behavior and investigation of dissipative mechanisms. Mater. Des. 105, 41–50 (2016)
Gupta, P., Yedla, N.: Dislocation and structural studies at metal-metallic glass interface at low temperature. J. Mater. Eng. Perform. 26, 5694–5704 (2017)
Stukowski, A.: Visualization and analysis of atomistic simulation data with OVITO–the open visualization tool. Model. Simul. Mater. Sci. Eng. 18, 15012 (2010)
Yamakov, V., Wolf, D., Phillpot, S.R., et al.: Dislocation processes in the deformation of nanocrystalline aluminium by molecular-dynamics simulation. Nat. Mater. 1, 45–48 (2002)
Zhou, K., Liu, B., Yao, Y., Zhong, K.: Effects of grain size and shape on mechanical properties of nanocrystalline copper investigated by molecular dynamics. Mater. Sci. Eng. A 615, 92–97 (2014)
Schuh, C.A., Lund, A.C.: Atomistic basis for the plastic yield criterion of metallic glass. Nat. Mater. 2, 449–452 (2003)
Yedla, N., Ghosh, S.: Nature of atomic trajectories and convective flow during plastic deformation of amorphous Cu50Zr50 alloy at room temperature-classical molecular dynamics studies. Intermetallics 80, 40–47 (2017)
Gutiérrez, G., Kiwi, M., Ramírez, R.: Amorphization in the vicinity of a grain boundary: a molecular-dynamics approach. Phys. Rev. B – Condens. Matter Mater. Phys. 54, 11701–11705 (1996)
Han, S., Zhao, L., Jiang, Q., Lian, J.: Deformation-induced localized solid-state amorphization in nanocrystalline nickel. Sci. Rep. 2, 1–5 (2012)
Sutrakar, V.K., Mahapatra, D.R.: Superplasticity in intermetallic NiAl nanowires via atomistic simulations. Mater. Lett. 64, 879–881 (2010)
Chen, W., Wang, Y., Qiang, J., Dong, C.: Bulk metallic glasses in the Zr-Al-Ni-Cu system. Acta Mater. 51, 1899–1907 (2003)
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Gupta, P., Yedla, N. (2019). Deformation Behavior and Fracture of Al-CuZr Nano-Laminates: A Molecular Dynamics Simulation Study. In: Abdel Wahab, M. (eds) Proceedings of the 7th International Conference on Fracture Fatigue and Wear. FFW 2018. Lecture Notes in Mechanical Engineering. Springer, Singapore. https://doi.org/10.1007/978-981-13-0411-8_11
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DOI: https://doi.org/10.1007/978-981-13-0411-8_11
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