Abstract
Evidences show that the composition of β″ formed in age hardening of Al alloys should be the prototype Mg5Si6 with Al and/or Cu addition. In the present work, molecular dynamics simulations are carried out to investigate the influence of the addition of Al and/or Cu to the mechanical properties of the prototype Mg5Si6. Our simulations imply that Mg5Si6 with both Al and Cu addition has relatively poor mechanical performance when compared with other three models. The snapshots of atomic configurations during uniaxial tension test illustrate that only if both Al and Cu dissolve in β″, clusters can form through Al atoms segregating around Cu atoms, thus applying different stress fields on the Al matrix, resulting different mechanical properties in comparison with other three β″ models.
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C.D. Marioara, S.J. Andersen, H.W. Zandbergen, and R. Holmestad: The influence of alloy composition on precipitates of the Al–Mg–Si system. Metall. Mater. Trans. A 36 (3), 691 (2005).
S.J. Andersen, C.D. Marioara, A. Frøseth, R. Vissers, and H.W. Zandbergen: Crystal structure of the orthorhombic U2-Al4Mg4Si4 precipitate in the Al–Mg–Si alloy system and its relation to the β′ and β″ phases. Mater. Sci. Eng., A 390 (1–2), 127 (2005).
M. Daoudi, A. Triki, and A. Redjaimia: DSC study of the kinetic parameters of the metastable phases formation during non-isothermal annealing of an Al–Si–Mg alloy. J. Therm. Anal. Calorim. 104 (2), 627 (2011).
R. Holmestad, R. Bjørge, F.J.H. Ehlers, M. Torsæter, C.D. Marioara, and S.J. Andersen: Characterization and structure of precipitates in 6xxx aluminium alloys. J. Phys.: Conf. Ser. 371, 012082 (2012).
M. Torsæter, W. Lefebvre, C.D. Marioara, S.J. Andersen, J.C. Walmsley, and R. Holmestad: Study of intergrown L and Q′ precipitates in Al–Mg–Si–Cu alloys. Scr. Mater. 64 (9), 817 (2011).
C.D. Marioara, S.J. Andersen, T.N. Stene, H. Hasting, J. Walmsley, A.T.J. Van Helvoort, and R. Holmestad: The effect of Cu on precipitation in Al–Mg–Si alloys. Philos. Mag. 87 (23), 3385 (2007).
S.K. Panigrahi and R. Jayaganthan: Effect of annealing on precipitation, microstructural stability, and mechanical properties of cryorolled Al 6063 alloy. J. Mater. Sci. 45 (20), 5624 (2010).
G. Sha, H. Möller, W.E. Stumpf, J.H. Xia, G. Govender, and S.P. Ringer: Solute nanostructures and their strengthening effects in Al–7Si–0.6Mg alloy F357. Acta Mater. 60 (2), 692 (2012).
F.J.H. Ehlers, S. Wenner, S.J. Andersen, C.D. Marioara, W. Lefebvre, C.B. Boothroyd, and R. Holmestad: Phase stabilization principle and precipitate-host lattice influences for Al–Mg–Si–Cu alloy precipitates. J. Mater. Sci. 49 (18), 6413 (2014).
S.J. Andersen, H.W. Zandbergen, J. Jansen, C. TrÆholt, U. Tundal, and O. Reiso: The crystal structure of the β″ phase in Al–Mg–Si alloys. Acta Mater. 46 (9), 3283 (1998).
H.W. Zandbergen, S.J. Andersen, and J. Jansen: Structure determination of Mg5Si6 particles in Al by dynamic electron diffraction studies. Science 277, 1221 (1997).
F.J.H. Ehlers: Ab initio interface configuration determination for β″ in Al–Mg–Si: Beyond the constraint of a preserved precipitate stoichiometry. Comput. Mater. Sci. 81, 617 (2014).
K. Li, A. Béché, M. Song, G. Sha, X. Lu, K. Zhang, Y. Du, S.P. Ringer, and D. Schryvers: Atomistic structure of Cu-containing β″ precipitates in an al–Mg–Si–Cu alloy. Scr. Mater. 75, 86 (2014).
L. Yuan, D. Shan, and B. Guo: Molecular dynamics simulation of tensile deformation of nano-single crystal aluminum. J. Mater. Process. Technol. 184 (1–3), 1 (2007).
J. Luo, K. Dahmen, P.K. Liaw, and Y. Shi: Low-cycle fatigue of metallic glass nanowires. Acta Mater. 87, 225 (2015).
J. Luo and Y. Shi: Tensile fracture of metallic glasses via shear band cavitation. Acta Mater. 82, 483 (2015).
L. Ju: AtomEye: An efficient atomistic configuration viewer. Modell. Simul. Mater. Sci. Eng. 11 (2), 173 (2003).
L. Wang and H. Liu: The microstructural evolution of Al12Mg17 alloy during the quenching processes. J. Non-Cryst. Solids 352 (26–27), 2880 (2006).
B. Jelinek, S. Groh, M.F. Horstemeyer, J. Houze, S.G. Kim, G.J. Wagner, A. Moitra, and M.I. Baskes: Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys. Phys. Rev. B: Condens. Matter Mater. Phys. 85 (24), 245102–1 (2012).
D. Pilipenko, Y. Natanzon, and H. Emmerich: Influence of temperature dependence of bulk modulus on crack propagation velocity. J. Ceram. Sci. Technol. 05, 77 (2014).
S. Plimpton: Fast parallel algorithms for short-range molecular dyanmics. J. Comput. Phys. 117, 1 (1995).
H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, and J.R. Haak: Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81 (8), 3684 (1984).
Y. Kong, L. Shen, G. Proust, and G. Ranzi: Al–Pd interatomic potential and its application to nanoscale multilayer thin films. Mater. Sci. Eng., A 530, 73 (2011).
T. Vodenitcharova, Y. Kong, L. Shen, P. Dayal, and M. Hoffman: Nano/micro mechanics study of nanoindentation on thin Al/Pd films. J. Mater. Res. 30 (05), 699 (2015).
W. Martienssen and H. Warlimont (eds.): Springer Handbook of Condensed Matter and Materials Data (Springer, Berlin, 2005).
G. Kresse and J. Furthmuller: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B: Condens. Matter Mater. Phys. 54, 16 (1996).
A. Stukowski: Visualization and analysis of atomistic simulation data with OVITO—The open visualization tool. Modell. Simul. Mater. Sci. Eng. 18 (1), 015012 (2010).
B. Zhang, L. Wu, B. Wan, J. Zhang, Z. Li, and H. Gou: Structural evolution, mechanical properties, and electronic structure of Al–Mg–Si compounds from first principles. J. Mater. Sci. 50 (19), 6498 (2015).
C. Ravi: First-principles study of crystal structure and stability of Al–Mg–Si–(Cu) precipitates. Acta Mater. 52 (14), 4213 (2004).
S.J. Andersen, C.D. Marioara, R. Vissers, A. Frøseth, and H.W. Zandbergen: The structural relation between precipitates in Al–Mg–Si alloys, the Al-matrix and diamond silicon, with emphasis on the trigonal phase U1-MgAl2Si2. Mater. Sci. Eng., A 444 (1–2), 157 (2007).
ACKNOWLEDGMENTS
The financial supports from the project of Innovation-driven plan in Central South University (Grant No. 2015CX004) and National Natural Science Foundation of China (Grant No. 51531009) are greatly acknowledged. Part of the first-principles calculations were carried out on the High Performance Computing Center of Central South University, China.
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Qiu, Y., Kong, Y., Xiao, S. et al. Mechanical properties of β″ precipitates containing Al and/or Cu in age hardening Al alloys. Journal of Materials Research 31, 580–588 (2016). https://doi.org/10.1557/jmr.2016.63
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DOI: https://doi.org/10.1557/jmr.2016.63