The characterisation of atomic structure and glass-forming ability of the Zr–Cu–Co metallic glasses studied by molecular dynamics simulations

References

• W. Klement, R.H. Willens, and P. Duwez, Non-crystalline structure in solidified gold–silicon alloys, Nature 187 (1960), pp. 869–870.10.1038/187869b0
   Web of Science ®Google Scholar
• A. Inoue, Stabilization of metallic supercooled liquid, Acta Mater. 48 (2000), pp. 279–306.10.1016/S1359-6454(99)00300-6
   Web of Science ®Google Scholar
• A. Inoue, A. Kato, T. Zhang, S.G. Kim, and T. Masumoto, Mg-Cu-Y amorphous-alloys with high mechanical strengths produced by a metallic mold casting method, Mater. Trans. Jim. 32 (1991), pp. 609–616.10.2320/matertrans1989.32.609
   Web of Science ®Google Scholar
• A. Peker and W.L. Johnson, A highly processable metallic glass: Zr41.2Ti13.8Cu12.5Ni10.0Be22.5, Appl. Phys. Lett. 63 (1993), p. 2342.10.1063/1.110520
   Web of Science ®Google Scholar
• A. Inoue, Recent progress of Zr-based bulk amorphous alloys, Sci. Reports Res. Institutes Tohoku Univ. Ser. A-Physics Chem. Metall. 42 (1996), pp. 1–11.
   Google Scholar
• T. Zhang, A. Inoue, and T. Masumoto, Amorphous Zr-Al-TM (TM=Co, Ni, Cu) alloys with significant supercooled liquid region of over 100 K, Mater. Trans. JIM. 32 (1991), pp. 1005–1010.10.2320/matertrans1989.32.1005
   Web of Science ®Google Scholar
• C. Li, L. Wang, and A. Inoue, Precipitation of icosahedral quasicrystalline and crystalline approximant phases in Zr-Cu-(Co, Rh or Ir) metallic glasses, J. Non. Cryst. Solids. 306 (2002), pp. 175–181.10.1016/S0022-3093(02)01182-1
   Web of Science ®Google Scholar
• B. Schwarz, U. Vainio, N. Mattern, S.W. Sohn, S. Oswald, D.H. Kim, and J. Eckert, Combined in situ SAXS/WAXS and HRTEM study on crystallization of (Cu60Co40)1-xZrx metallic glasses, J. Non. Cryst. Solids. 357 (2011), pp. 1538–1546.10.1016/j.jnoncrysol.2010.11.009
   Web of Science ®Google Scholar
• F.A. Javid, N. Mattern, S. Pauly, and J. Eckert, Martensitic transformation and thermal cycling effect in Cu-Co-Zr alloys, J. Alloys Compd. 509 (2011), pp. S334–S337.10.1016/j.jallcom.2011.01.186
   Web of Science ®Google Scholar
• F.A. Javid, N. Mattern, S. Pauly, and J. Eckert, Effect of cobalt on phase formation, microstructure, and mechanical properties of Cu50−xCoxZr50 (x = 2, 5, 10, 20 at. pct) alloys, Metall. Mater. Trans. A. 43 (2012), pp. 2631–2636.10.1007/s11661-011-0945-z
   Google Scholar
• B. Schwarz, N. Mattern, O. Shuleshova, and J. Eckert, Intermetallics liquid - liquid demixing and microstructure of Co-Cu-Zr alloys with low Zr content, Intermetallics 32 (2013), pp. 250–258.10.1016/j.intermet.2012.07.023
   Web of Science ®Google Scholar
• S. Pauly, K. Kosiba, P. Gargarella, B. Escher, K.K. Song, G. Wang, U. Kühn, and J. Eckert, Microstructural evolution and mechanical behaviour of metastable Cu–Zr–Co alloys, J. Mater. Sci. Technol. 30 (2014), pp. 584–589.10.1016/j.jmst.2014.05.006
   Web of Science ®Google Scholar
• F.A. Javid, N. Mattern, M. Samadi Khoshkhoo, M. Stoica, S. Pauly, and J. Eckert, Phase formation of Cu50-xCoxZr50 (x = 0–20 at.%) alloys: Influence of cooling rate, J. Alloys Compd. 590 (2014), pp. 428–434.10.1016/j.jallcom.2013.12.138
   Web of Science ®Google Scholar
• J. Antonowicz, A. Pietnoczka, T. Drobiazg, G.A. Almyras, D.G. Papageorgiou, and G.A. Evangelakis, Icosahedral order in Cu-Zr amorphous alloys studied by means of X-ray absorption fine structure and molecular dynamics simulations, Philos. Mag. 92 (2012), pp. 1865–1875.10.1080/14786435.2012.659008
   Web of Science ®Google Scholar
• M.I. Mendelev, M.J. Kramer, R.T. Ott, D.J. Sordelet, M.F. Besser, A. Kreyssig, A.I. Goldman, V. Wessels, K.K. Sahu, K.F. Kelton, R.W. Hyers, S. Canepari, and J.R. Rogers, Experimental and computer simulation determination of the structural changes occurring through the liquid-glass transition in Cu-Zr alloys, Philos. Mag. 90 (2010), pp. 3795–3815.10.1080/14786435.2010.494585
   Web of Science ®Google Scholar
• M.I. Mendelev, M.J. Kramer, R.T. Ott, and D.J. Sordelet, Molecular dynamics simulation of diffusion in supercooled Cu–Zr alloys, Philos. Mag. 89 (2009), pp. 109–126.10.1080/14786430802570648
   Web of Science ®Google Scholar
• G. Duan, D. Xu, Q. Zhang, G. Zhang, T. Cagin, W.L. Johnson, and W.A. Goddard, Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments: Glass formation and atomic-level structure, Phys. Rev. B. 71 (2005), p. 425.10.1103/PhysRevB.71.224208
   Web of Science ®Google Scholar
• M.S. Daw and M.I. Baskes, Embedded atom method: derivation and application to impurities, surfaces and other defects in metal, Phys. Rev. B. 29 (1984), pp. 6443–6453.10.1103/PhysRevB.29.6443
   Web of Science ®Google Scholar
• M.W. Finnis and J.E. Sinclair, A simple empirical N -body potential for transition metals, Philos. Mag. A. 50 (1984), pp. 45–55.10.1080/01418618408244210
   Web of Science ®Google Scholar
• F. Cleri and V. Rosato, Tight-binding potentials for transition metals and alloys, Phys. Rev. B. 48 (1993), pp. 22–33.10.1103/PhysRevB.48.22
   PubMed Web of Science ®Google Scholar
• S.W. Kao, K.C. Yang, S.H. Wang, C.C. Hwang, P.Y. Lee, R.T. Huang, and T.S. Chin, Predicting the glass-forming-ability of alloys by molecular dynamics simulation: a working example of Ti–Co bulk metallic glasses, Jpn. J. Appl. Phys. 48 (2009), p. 061301.10.1143/JJAP.48.061301
   Web of Science ®Google Scholar
• H. Wei, S. Wei, X. Zhu, and X. Lu, Investigation of structural, thermal, and dynamical properties of Pd–Au–Pt ternary metal nanoparticles confined in carbon nanotubes based on MD simulation, J. Phys. Chem. C. 121 (2017), pp. 12911–12920.10.1021/acs.jpcc.7b02434
   Google Scholar
• C.-D. Wu, Atomistic simulation of nanoformed metallic glass, Appl. Surf. Sci. 343 (2015), pp. 153–159.10.1016/j.apsusc.2015.03.091
   Web of Science ®Google Scholar
• C. Wu, Molecular dynamics simulation of nanotribology properties of CuZr metallic glasses, Appl. Phys. A. 122 (2016), p. 36.10.1007/s00339-016-9998-6
   Web of Science ®Google Scholar
• M. Celtek, S. Sengul, U. Domekeli, and C. Canan, Molecular dynamics study of structure and glass forming ability of Zr70Pd30 alloy, Eur. Phys. J. B. 89 (2016), p. 1505.10.1140/epjb/e2016-60694-5
   Web of Science ®Google Scholar
• S.S. Dalgic and M. Celtek, Glass forming ability and crystallization of CuTi intermetallic alloy by molecular dynamics simulation, J. Optoelectron. Adv. Mater. 13 (2011), pp. 1563–1569.
   Web of Science ®Google Scholar
• S. Sengul, M. Celtek, and U. Domekeli, Molecular dynamics simulations of glass formation and atomic structures in Zr60Cu20Fe20 ternary bulk metallic alloy, Vacuum 136 (2017), pp. 20–27.10.1016/j.vacuum.2016.11.018
   Web of Science ®Google Scholar
• M. Celtek, S. Sengul, and U. Domekeli, Glass formation and structural properties of Zr50Cu50-xAlx bulk metallic glasses investigated by molecular dynamics simulations, Intermetallics 84 (2017), pp. 62–73.10.1016/j.intermet.2017.01.001
   Web of Science ®Google Scholar
• W. Smith, T.R. Forester, and I.T. Todorov, DLPOLY; software available at http://www.ccp5.ac.uk/DL_POLY_CLASSIC/.
   Google Scholar
• J.D. Honeycutt and H.C. Andersen, Molecular dynamics study of melting and freezing of small Lennard- Jones clusters, J. Phys. Chem. 91 (1987), pp. 4950–4963.10.1021/j100303a014
   Web of Science ®Google Scholar
• W.H. Wang, J.J. Lewandowski, and A.L. Greer, Understanding the glass-forming ability of Cu50Zr50 Alloys in Terms of a Metastable Eutectic, J. Mater. Res. 20 (2005), pp. 2307–2313.10.1557/jmr.2005.0302
   Web of Science ®Google Scholar
• S.W. Kao, C.C. Hwang, and T.S. Chin, Simulation of reduced glass transition temperature of Cu-Zr alloys by molecular dynamics, J. Appl. Phys. 105 (2009), pp. 1–6.
   Web of Science ®Google Scholar
• J.M. Cowley, X-ray measurement of order in single crystals of Cu3Au, J. Appl. Phys. 21 (1950), p. 24.10.1063/1.1699415
   Web of Science ®Google Scholar
• F.A. Celik and S. Kazanc, Crystallization analysis and determination of Avrami exponents of CuAlNi alloy by molecular dynamics simulation, Phys. B Condens. Matter. 409 (2013), pp. 63–70.10.1016/j.physb.2012.10.015
   Web of Science ®Google Scholar
• W. Hui, H.U. Tao, and Z. Tao, Local structure of Co55Ta10B35 amorphous alloy investigated by ab - initio molecular dynamics, Sci. China Physics, Mech. Astron. 56 (2013) pp. 904–909.
   Web of Science ®Google Scholar
• G. Voronoi, New parametric applications concerning the theory of quadratic forms - second announcement, J. Reine Angew. Math. 134 (1908), pp. 198–287.
   Google Scholar