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Understanding the brittleness of metallic glasses through dynamic clusters

Published online by Cambridge University Press:  13 February 2014

Wei-Dong Liu
Affiliation:
School of Mechanical and Manufacturing Engineering, University of New South Wales, Sydney 2052, Australia
Hai-Hui Ruan
Affiliation:
School of Mechanical and Manufacturing Engineering, University of New South Wales, Sydney 2052, Australia
Liang-Chi Zhang*
Affiliation:
School of Mechanical and Manufacturing Engineering, University of New South Wales, Sydney 2052, Australia
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

Exploiting molecular dynamics simulation, this article investigates the dynamic process of atomic rearrangement in two metallic glasses (MGs), Cu50Zr50 and Fe80P20, which are well known as ductile and brittle MGs under compression, respectively. It was found that the local rearrangements can be identified clearly by the distribution of kinetic energy and atomic strain rate, and that they are always driven by several high-velocity atoms in the core and induce a large shear and tensile strain over a very short duration. The size, kinetic energy, strain rate, and cavitation rate of the clusters in Fe80P20 are markedly larger than those in Cu50Zr50, which explains the distinct strength and brittleness of these two MGs. This study further confirmed that localized rearrangement of atomic structure is the underlying mechanism of plastic deformation in MGs, which governs their macro-scale mechanical performance.

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Articles
Copyright
Copyright © Materials Research Society 2014 

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References

REFERENCES

Inoue, C.S.A.: Bulk Metallic Glasses (CRC Press, Boca Raton, FL, 2011).Google Scholar
Greer, A.L., Rutherford, K.L., and Hutchings, M.: Wear resistance of amorphous alloys and related materials. Int. Mater. Rev. 47(2), 87 (2002).CrossRefGoogle Scholar
Johnson, W.L.: Bulk amorphous metal: An emerging engineering material. JOM 54(3), 40 (2002).CrossRefGoogle Scholar
Wang, W.H., Zang, X.Q., and Lu, R.S.: Low formaldehyde emission particleboard bonded by UF-MDI mixture adhesive. For. Prod. J. 54(9), 36 (2004).Google Scholar
Chen, M.W.: Mechanical behavior of metallic glasses: Microscopic understanding of strength and ductility. Annu. Rev. Mater. Res. 38, 445 (2008).Google Scholar
Inoue, A.: Stabilization of metallic supercooled liquid and bulk amorphous alloys. Acta Mater. 48(1), 279 (2000).Google Scholar
Lu, J., Ravichandran, G., and Johnson, W.L.: Deformation behavior of the Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass over a wide range of strain-rates and temperatures. Acta Mater. 51(12), 3429 (2003).Google Scholar
Liu, W.D., Liu, K.X., Xia, X.X., and Wang, W.H.: The failure stress of bulk metallic glasses under very high strain rate. J. Mater. Res. 25(7), 1230 (2010).Google Scholar
Schuh, C.A., Hufnagel, T.C., and Ramamurty, U.: Overview No. 144 – Mechanical behavior of amorphous alloys. Acta Mater. 55(12), 4067 (2007).CrossRefGoogle Scholar
Wang, G., Zhao, D.Q., Bai, H.Y., Pan, M.X., Xia, A.L., Han, B.S., Xi, X.K., Wu, Y., and Wang, W.H.: Nanoscale periodic morphologies on the fracture surface of brittle metallic glasses. Phys. Rev. Lett. 98(23), 235501 (2007).Google Scholar
Schroers, J. and Johnson, W.L.: Ductile bulk metallic glass. Phys. Rev. Lett. 93(25), 255506 (2004).Google Scholar
Rodney, D., Tanguy, A., and Vandembroucq, D.: Modeling the mechanics of amorphous solids at different length scale and time scale. Modell. Simul. Mater. Sci. Eng. 19(8), 083001 (2011).Google Scholar
Liu, W.D., Ruan, H.H., and Zhang, L.C.: On the plasticity event in metallic glass. Philos. Mag. Lett. 535536, 158 (2013).Google Scholar
Ruan, H.H., Zhang, L.C., and Lu, J.: A new constitutive model for shear banding instability in metallic glass. Int. J. Solids Struct. 48(21), 3112 (2011).Google Scholar
Liu, W.D., Ruan, H.H., and Zhang, L.C.: Atomic rearrangements in metallic glass: Their nucleation and self-organization. Acta Mater. 61(16), 6050 (2013).Google Scholar
Argon, A.S.: Plastic-deformation in metallic glasses. Acta Metall. Mater. 27(1), 47 (1979).Google Scholar
Liu, S.T., Wang, Z., Peng, H.L., Yu, H.B., and Wang, W.H.: The activation energy and volume of flow units of metallic glasses. Scr. Mater. 67(1), 9 (2012).Google Scholar
Pan, D., Inoue, A., Sakurai, T., and Chen, M.W.: Experimental characterization of shear transformation zones for plastic flow of bulk metallic glasses. Proc. Natl. Acad. Sci. U.S.A. 105(39), 14769 (2008).Google Scholar
Dasgupta, R., Karmakar, S., and Procaccia, I.: Universality of the plastic instability in strained amorphous solids. Phys. Rev. Lett. 108(7), 075701 (2012).Google Scholar
Takeuchi, S. and Edagawa, K.: Atomistic simulation and modeling of localized shear deformation in metallic glasses. Prog. Mater. Sci. 56(6), 785 (2011).CrossRefGoogle Scholar
Cheng, Y.Q. and Ma, E.: Atomic-level structure and structure-property relationship in metallic glasses. Prog. Mater. Sci. 56(4), 379 (2011).Google Scholar
Cao, A.J., Cheng, Y.Q., and Ma, E.: Structural processes that initiate shear localization in metallic glass. Acta Mater. 57(17), 5146 (2009).CrossRefGoogle Scholar
Shi, Y.F. and Falk, M.L.: Strain localization and percolation of stable structure in amorphous solids. Phys. Rev. Lett. 95(9), 095502 (2005).Google Scholar
Murali, P., Zhang, Y.W., and Gao, H.J.: On the characteristic length scales associated with plastic deformation in metallic glasses. Appl. Phys. Lett. 100(20), 201901 (2012).Google Scholar
Murali, P., Narasimhan, R., Guo, T.F., Zhang, Y.W., and Gao, H.J.: Shear bands mediate cavitation in brittle metallic glasses. Scr. Mater. 68(8), 567 (2013).CrossRefGoogle Scholar
Murali, P., Guo, T.F., Zhang, Y.W., Narasimhan, R., Li, Y., and Gao, H.J.: Atomic scale fluctuations govern brittle fracture and cavitation behavior in metallic glasses. Phys. Rev. Lett. 107(21), 215501 (2011).CrossRefGoogle ScholarPubMed
Ackland, G.J., Mendelev, M.I., Srolovitz, D.J., Han, S., and Barashev, A.V.: Development of an interatomic potential for phosphorus impurities in alpha-iron. J. Phys. Condens. Matter 16(27), S2629 (2004).Google Scholar
Mendelev, M.I., Kramer, M.J., Ott, R.T., Sordelet, D.J., Yagodin, D., and Popel, P.: Development of suitable interatomic potentials for simulation of liquid and amorphous Cu-Zr alloys. Philos. Mag. 89(11), 967 (2009).Google Scholar
Schlick, T.: Molecular Modeling and Simulation: An Interdisciplinary Guide (Springer, New York, NY, 2002).Google Scholar
Rapaport, D.C.: The Art of Molecular Dynamics Simulation (Cambridge University Press, New York, NY, 2004).Google Scholar
Plimpton, S.: Fast parallel algorithms for short-range molecular-dynamics. J. Comput. Phys. 117(1), 1 (1995).Google Scholar
Stukowski, A.: Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool. Modell. Simul. Mater. Sci. Eng. 18(1), 015012 (2010).Google Scholar
Cheng, Y.Q. and Ma, E.: Intrinsic shear strength of metallic glass. Acta Mater. 59(4), 1800 (2011).CrossRefGoogle Scholar
Johnson, W.L. and Samwer, K.: A universal criterion for plastic yielding of metallic glasses with a (T/Tg)(2/3) temperature dependence. Phys. Rev. Lett. 95(19), 195501 (2005).Google Scholar
Bak, P., Tang, C., and Wiesenfeld, K.: Self-organized criticality: An explanation of 1/F noise. Phys. Rev. Lett. 59(4), 381 (1987).CrossRefGoogle Scholar
Sun, B.A., Yu, H.B., Jiao, W., Bai, H.Y., Zhao, D.Q., and Wang, W.H.: Plasticity of ductile metallic glasses: A self-organized critical state. Phys. Rev. Lett. 105(3), 035501 (2010).Google Scholar
Shimizu, F., Ogata, S., and Li, J.: Theory of shear banding in metallic glasses and molecular dynamics calculations. Mater. Trans. 48(11), 2923 (2007).Google Scholar