Abstract
Shock responses of Mg–Al–Zn alloy are investigated by the molecular dynamics (MD) method. The wave propagation, plastic deformation behavior and failure mechanism along the [0001] and [\(10\bar{1}0\)] orientations are analyzed. For both orientations, simulation results show that the shock wave has an obvious double-wave structure (plastic-elastic) under a piston velocity of 1200 m/s. A higher Hugoniot elastic limit (HEL) is observed for [0001]-oriented shock. When the shock pressure is along the [\(10\bar{1}0\)] direction, the distance between plastic and elastic waves is closer, and higher dislocation density and more twins are observed. Moreover, the spall strength for [\(10\bar{1}0\)]-oriented shock is predicted to be higher. In addition, the wave interactions, HEL and spall strength predicted for Mg–Al–Zn alloy are compared with the experimental results and MD simulation results of Mg single crystal in the literature. It is concluded that the shock performance of Mg–Al–Zn is better than that of Mg single crystal.
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References
Staiger MP, Pietak AM, Huadmai J, Dias G. Magnesium and its alloys as orthopedic biomaterials: a review. Biomaterials. 2006;27:1728–34. https://doi.org/10.1016/j.biomaterials.2005.10.003.
Zeng R, Dietzel W, Witte F, Hort N, Blawert C. Progress and challenge for magnesium alloys as biomaterials. Adv Eng Mater. 2010;10:3–14. https://doi.org/10.1002/adem.200800035.
Luo Q, Guo YL, Liu B, Feng YJ, Zhang JY. Thermodynamics and kinetics of phase transformation in rare earth-magnesium alloys: a critical review. J Mater Sci Technol. 2020;44:173–92. https://doi.org/10.1016/j.jmst.2020.01.022.
Chen Y, Hu G, Lan Y, Zhang K, Cai G. Constitutive modeling of slip, twinning and detwinning for Mg alloy and inhomogeneous evolution of microstructure. Acta Mech Solida Sin. 2018;31:493–511. https://doi.org/10.1007/s10338-018-0028-4.
Wang CJ, Jiang BL, Liu M, Ge YF. Corrosion characterization of micro-arc oxidization composite electrophoretic coating on AZ31B magnesium alloy. J Alloys Compd. 2015;621:53–61. https://doi.org/10.1016/j.jallcom.2014.09.168.
Aitken ZH, Fan HD, El-Awady JA, Greer JR. The effect of size, orientation and alloying on the deformation of AZ31 nanopillars. J Mech Phys Solids. 2015;76:208–23. https://doi.org/10.1016/j.jmps.2014.11.014.
Yu MD, Cui ZY, Ge F, Lin Y, Lei L, Wang X, Cheng YF. Facile fabrication of hydrophobic polysiloxane coatings for protection of AZ31 magnesium alloy. J Mater Sci. 2019;54:1–16. https://doi.org/10.1007/s10853-019-03544-2.
Mishra S, Yadava M, Kulkarni KN, Gurao NP. Stress relaxation behavior of an aluminium magnesium silicon alloy in different temper condition. Mech Mater. 2018;125:80–93. https://doi.org/10.1016/j.mechmat.2018.07.010.
Yang XY, Xu S, Chi QJ. Plastic deformation behavior of Bi-Crystal magnesium nanopillars with a \(\{\) 10-12 \(\}\) twin boundary under compression: molecular dynamics simulations. Materials. 2019;12:1–13. https://doi.org/10.3390/ma12050750.
Toghyani S, Khodaei M. Fabrication and characterization of magnesium scaffold using different processing parameters. Mater Res Express. 2018;5:1–8. https://doi.org/10.1088/2053-1591/aab6db.
Rui C, Wang T, Wang C, Feng Z, Lin QL. Cold metal transfer welding-brazing of pure titanium TA2 to magnesium alloy AZ31B. J Alloys Compd. 2014;605:12–20. https://doi.org/10.1016/j.jallcom.2014.03.051.
Wang TX, Zuanetti B, Prakash V. Shock response of commercial purity polycrystalline magnesium under uniaxial strain at elevated temperatures. J Dyn Behav Mater. 2017;3:1–13. https://doi.org/10.1007/s40870-017-0128-0.
Bringa E, Caro A, Wang Y, Victoria M, Mcnaney J, Remington B, Smith R, Torralva B, Van Swygenhoven H. Ultrahigh strength in nanocrystalline materials under shock loading. Science. 2005;309:1838–41. https://doi.org/10.1126/science.1116723.
Agarwal G, Dongare AM. Shock wave propagation and spall failure in single crystal Mg at atomic scales. J Appl Phys. 2016;119:145901. https://doi.org/10.1063/1.4944942.
Lin EQ, Shi HJ, Niu LS. Effects of orientation and vacancy defects on the shock Hugoniot behavior and spallation of single-crystal copper. Model Simul Mater Sci Eng. 2014;22:35012. https://doi.org/10.1088/0965-0393/22/3/035012.
Wen P, Tao G, Pang CQ, Yuan SQ, Wang Q. A molecular dynamics study of the shock-induced defect microstructure in single crystal Cu. Comput Mater Sci. 2016;124:304–10. https://doi.org/10.1016/j.commatsci.2016.08.010.
Xiong QL, Kitamura T, Li ZH. Cylindrical voids induced deformation response of single crystal coppers during low-speed shock compressions: a molecular dynamics study. Mech Mater. 2019;138:1–13. https://doi.org/10.1016/j.mechmat.2019.103167.
Galitskiy S, Ivanov DS, Dongare AM. Dynamic evolution of microstructure during laser shock loading and spall failure of single crystal Al at the atomic scales. J Appl Phys. 2018;124:205901. https://doi.org/10.1063/1.5051618.
Liao Y, Xiang M, Zeng X, Chen J. Molecular dynamics studies of the roles of microstructure and thermal effects in spallation of aluminum. Mech Mater. 2015;84:12–27. https://doi.org/10.1016/j.mechmat.2015.01.007.
Zong H, Ding X, Lookman T, Sun J. Twin boundary activated \(\alpha > \omega \) phase transformation in titanium under shock compression. Acta Mater. 2016;115:1–9. https://doi.org/10.1016/j.actamat.2016.05.037.
Wu L, Wang K, Xiao SF, Deng HQ, Zhu WJ, Hu WY. Atomistic studies of shock-induced phase transformations in single crystal iron with cylindrical nanopores. Comput Mater Sci. 2016;122:1–10. https://doi.org/10.1016/j.commatsci.2016.05.010.
Kanel GI, Garkushin GV, Savinykh AS, Razorenov SV, De Resseguier T, Proud WG, Tyutin MR. Shock response of magnesium single crystals at normal and elevated temperatures. J Appl Phys. 2014;116:143504. https://doi.org/10.1063/1.4897555.
Knudson MD, Desjarlais MP, Lemke RW. Shock compression experiments on Lithium Deuteride (LiD) single crystals. J Appl Phys. 2016;120:1–9. https://doi.org/10.1063/1.4972553.
Lubarda VA, Schneider MS, Kalantar DH, Remington BA, Meyers MA. Void growth by dislocation emission. Acta Mater. 2004;52:1397–408. https://doi.org/10.1016/j.actamat.2003.11.022.
Winey JM, Renganathan P, Gupta YM. Shock wave compression and release of hexagonal-close-packed metal single crystals: inelastic deformation of c-axis magnesium. J Appl Phys. 2015;117:409. https://doi.org/10.1063/1.4914525.
Zepeda-Ruiz LA, Stukowski A, Oppelstrup T, Bulatov V. Probing the limits of metal plasticity with molecular dynamics simulations. Nature. 2017;550:492–5. https://doi.org/10.1038/nature23472.
Fan HD, El-Awady JA. Molecular dynamics simulations of orientation effects during tension, compression, and bending deformations of magnesium nanocrystals. J Appl Mech. 2015;82:101006. https://doi.org/10.1115/1.4030930.
Curran DR, Seaman L, Shockey DA. Dynamic failure of solids. Phys Rep. 1987;147:253–388. https://doi.org/10.1016/0370-1573(87)90049-4.
Mackenchery K, Valisetty RR, Namburu RR, Stukowski A, Rajendran AM, Dongare AM. Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu. J Appl Phys. 2016;119:817–22. https://doi.org/10.1063/1.4939867.
Dickel DE, Baskes MI, Aslam I, Barrett C. New interatomic potential for Mg–Al–Zn alloys with specific application to dilute Mg-based alloys. Model Simul Mater Sci Eng. 2018;26:1–15. https://doi.org/10.1088/1361-651X/aabaad.
Huang ZW, Zhao YH, Hou H, Han PD. Electronic structural, elastic properties and thermodynamics of Mg\(_{17}\)Al\(_{12}\), Mg\(_{2}\)Si and Al\(_{2}\)Y phases from first-principles calculations. Phys B Condens Matter. 2012;407:1075–81. https://doi.org/10.1016/j.physb.2011.12.132.
Yang XM, Hou H, Zhao YH, Yang L, De Han P. First-principles investigation of the structural, electronic and elastic properties of Mg\(_{x}\)Al\(_{4x}\)Sr( x\(=\)0, 0.5, 1) phases. Comput Mater Sci. 2014;84:374–80. https://doi.org/10.1016/j.commatsci.2013.12.036.
Ganeshan S, Shang SL, Wang Y, Liu ZK. Effect of alloying elements on the elastic properties of Mg from first-principles calculations. Acta Mater. 2009;57:3876–84. https://doi.org/10.1016/j.actamat.2009.04.038.
Zhang SC, Liu C, Liu S, Chang QM. Effects of temperature and strain rate on elastic modular of extruded AZ31 magnesium alloy. Light Alloy Fabr Technol. 2016;44:62–5. https://doi.org/10.13979/j.1007-7235.2016.04.012.
Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J Comput Phys. 1995;117:1–19. https://doi.org/10.1006/JCPH.1995.1039.
Martyna GJ, Tobias DJ, Klein ML. Constant pressure molecular dynamics algorithms. J Chem Phys. 1994;101:4177–90. https://doi.org/10.1063/1.467468.
Luo SN, Germann TC, Tonks DL. Spall damage of copper under supported and decaying shock loading. J Appl Phys. 2009;106:1–7. https://doi.org/10.1063/1.3271414.
Honeycutt JD, Andersen HC. Molecular dynamics study of melting and freezing of small Lennard–Jones clusters. J Phys Chem. 1987;91:4950–63. https://doi.org/10.1021/j100303a014.
Stukowski A, Albe K. Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. J Geophys Res Atmos. 2010;119:2131–45. https://doi.org/10.1088/0965-0393/18/8/085001.
Agarwal G, Dongare AM. Atomistic study of shock Hugoniot of single crystal Mg. J Appl Phys 2017;1–7. https://doi.org/10.1063/1.4971592
Wen P, Demaske B, Spearot DE, Phillpot SR. Shock compression of Cu\(_{x}\)Zr\(_{100x}\) metallic glasses from molecular dynamics simulations. J Mater Sci. 2017;53:1–14. https://doi.org/10.1007/s10853-017-1666-5.
Garkushin GV, Savinykh AS, Kanel GI. Response of magnesium single crystals to shock-wave loading at room and elevated temperatures. J Phys Conf. 2014;500:112027. https://doi.org/10.1088/1742-6596/500/11/112027.
Zu Q, Guo YF, Xu S, Tang XZ, Wang YS. Molecular dynamics simulations of the orientation effect on the initial plastic deformation of magnesium single crystals. Acta Metall Sin. 2016;29:301–31. https://doi.org/10.1007/s40195-015-0353-2.
Stukowski A, Bulatov V, Arsenlis A. Automated identification and indexing of dislocations in crystal interfaces. Model Simul Mater Sci Eng. 2012;20:85007. https://doi.org/10.1088/0965-0393/20/8/085007.
Stukowski A, Albe K. Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Model Simul Mater Sci Eng. 2010;18:2131–45. https://doi.org/10.1088/0965-0393/18/8/085001.
Lilleodden ET, Nix WD. Microstructural length-scale effects in the nanoindentation behavior of thin gold films. Acta Mater. 2006;54:1583–93. https://doi.org/10.1016/j.biomaterials.2005.10.003.
Holian BL, Lomdahl PS. Plasticity induced by shock waves in nonequilibrium molecular-dynamics simulations. Science. 1998;280:2085–8. https://doi.org/10.1126/science.280.5372.2085.
Meyers MA, Marr LE, Lindholm US. Shock waves and high-strain-rate phenomena in metals. J Appl Mech. 1982;49:683. https://doi.org/10.1115/1.3162565.
Acknowledgements
This research are funded by the National Natural Science Foundation of China (11402183, 51604206 and 51974217), the Fundamental Research Funds for the Central Universities of China (WUT: 2017IA002) and National Defense Science and technology foundation strengthening program.
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Yang, X., Xu, S. & Liu, L. The Shock Response and Spall Mechanism of Mg–Al–Zn Alloy: Molecular Dynamics Study. Acta Mech. Solida Sin. 35, 495–503 (2022). https://doi.org/10.1007/s10338-021-00301-4
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DOI: https://doi.org/10.1007/s10338-021-00301-4