Abstract
The compression behaviors of iridium single crystals with different crystalline orientations were investigated by micropillar compression tests and molecular dynamics (MD) simulations. The results indicated that the deformation process of iridium single crystals with [100] and [110] orientations was presented as the stacking faults expansion and the formation of Lomer–Cottrell locks. And the occurrence of Lomer–Cottrell locks was considered as the interaction of stacking faults on {111} planes by MD simulations. The evolution of crystal structure in compression indicated that the Lomer–Cottrell locks might contribute to the large plastic deformation of iridium single crystals. Moreover, the deformation features in MD simulations showed that the elastic modulus (E) and yield stress (σs) of iridium single crystals were significantly influenced by the temperature. The elastic modulus and yield stress gradually decreased with an increased temperature for all orientations. Meanwhile, the single crystal with a closely spaced lattice structure exhibited superior mechanical properties at a same temperature.
Similar content being viewed by others
References
Hunt LB. A history of iridium. Platin Met Rev. 1987;31(1):32.
Echigoya J, Mumtaz K, Hayasaka Y, Aoyagi E. Electron microscopic study of sputter-deposited Ir films. J Mater Sci. 2004;39(20):6215.
Pranee P, Nisit T. Effect of plating bath composition on chemical composition and oxygen reduction reaction activity of electrodeposited Pt–Co catalysts. Rare Met. 2018. https://doi.org/10.1007/s12598-018-1082-2.
Zhang H, Zhu LA, Bai SX, Ye YC. Ablation-resistant Ir/Re coating on C/C composites at ultra-high temperatures. Rare Met. 2015. https://doi.org/10.1007/s12598-015-0509-2.
Hecker SS, Rohr DL, Stein DF. Brittle fracture in iridium. Metall Mater Trans A. 1978;9(4):481.
Zhou ZM, Peng H, Zheng L. Thermal cycling performance of La2Ce2O7/YSZ TBCs with Pt/Dy co-doped NiAl bond coat on single crystal superalloy. Rare Met. 2018. https://doi.org/10.1007/s12598-017-0980-z.
Gandhi C, Ashby MF. On fracture mechanisms of iridium and criteria for cleavage. Scr Mater. 1979;13(5):371.
George TG, Stevens MF. The high-temperature impact properties of DOP-26 iridium. JOM. 1988;40(10):32.
Mordike BL, Brookes CA. The tensile properties of iridium at high temperatures. Platin Met Rev. 1960;4(3):94.
Mehan RL, Duderstadt EC, Sayell EH. Creep-rupture behavior of iridium at elevated temperatures. Metall Mater Trans A. 1975;6(4):885.
Panfilov P, Novgorodov V, Yermakov A. Fracture behavior of polycrystalline iridium under tension in the temperature range 20–1500 °C. J Mater Sci Lett. 1994;13(2):137.
Weiland R, Lupton DF. High-temperature mechanical properties of platinum group metals. Platin Met Rev. 2006;50(4):158.
Yermakov A, Panfilov P, Adamesku R. The main features of plastic deformation of iridium single crystals. J Mater Sci Lett. 1990;9(6):696.
Yang JR, Wang H, Wang BQ, Hu R, Liu Y, Luo XM. Numerical and experimental study of electron beam floating zone melting of Iridium single crystal. J Mater Process Technol. 2017;250:239.
Wu WP, Yao ZZ. Molecular dynamics simulation of stress distribution and microstructure evolution ahead of a growing crack in single crystal nickel. Theor Appl Fract Mech. 2012;62(1):67.
Sainath G, Choudhary BK. Orientation dependent deformation behavior of BCC iron nanowires. Comput Mater Sci. 2016;111:406.
Setoodeh AR, Attariani H, Khosrownejad M. Nickel nanowires under uniaxial loads: a molecular dynamics simulation study. Comput Mater Sci. 2008;44(2):378.
Wen YH, Zhang Y, Wang Q, Zheng JC, Zhu ZZ. Orientation-dependent mechanical properties of Au nanowires under uniaxial loading. Comput Mater Sci. 2010;48(3):513.
Zhang F, Xue XY, Hu R, Li JS, Fu HZ. Molecular dynamics simulation of nano-sized single crystal Iridium deformation behavior. Mater Sci Eng Powder Metall. 2014;19(2):165.
Gornostyrev Y, Katsnelson M, Medvedeva N, Mryasov O. Peculiarities of defect structure and mechanical properties of iridium: results of ab initio electronic structure calculations. Phys Rev B. 2015;62(12):7802.
Cawkwell M, Nguyenmanh D, Woodward C, Pettifor D, Vitek V. Origin of brittle cleavage in iridium. Science. 2005;309(5737):1059.
Cawkwell M, Woodward C, Nguyen D. Atomistic study of a thermal cross-slip and its impact on the mechanical properties of iridium. Acta Mater. 2007;55(1):161.
Sheng HW, Kramer MJ, Cadien A, Fujita T, Chen MW. Highly optimized embedded-atom-method potentials for fourteen fcc metals. Phys Rev B. 2011;83(13):134118.
Soler R, Molina-Aldareguia JM, Segurado J, Lorca JL. Effect of misorientation on the compression of highly anisotropic single-crystal micropillars. Adv Eng Mater. 2012;14(11):1004.
Reid C, Routbort J. Malleability and plastic anisotropy of iridium and copper. Metall Trans. 1972;3(8):2257.
Hieber H, Mordike B, Haasen P. Deformation of zone-melted iridium single crystals. Platin Met Rev. 1964;8(3):102.
Macfarlane R, Rayne J, Jones C. Temperature dependence of elastic moduli of iridium. Phys Lett. 1966;20(3):234.
Chen DL, Chen TC. Mechanical properties of Au nanowires under uniaxial tension with high strain-rate by molecular dynamics. Nanotechnology. 2005;16(12):2972.
Honeycutt JD, Andersen HC. Molecular dynamics study of melting and freezing of small Lennard–Jones clusters. J Phys Chem. 1987;91(19):4950.
Yamakov VI, Warner DH, Zamora RJ, Saether E, Curtin WA, Glaessgen EH. Investigation of crack tip dislocation emission in aluminum using multi-scale molecular dynamics simulation and continuum modeling. J Mech Phys Solids. 2014;65(5):35.
Haasen P, Hieber H, Mordike B. Die plastische verformung von iridium einkristallen. Platin Met Rev. 1965;56(12):832.
Panfilov P. Deformation tracks distribution in iridium single crystals under tension. J Mater Sci. 2007;42(19):8230.
Balk T, Hemker K. High resolution transmission electron microscopy of dislocation core dissociations in gold and iridium. Phil Mag. 2001;81(6):1507.
Panfilov P, Yermakov A, Baturin G. The cause of cleavage in iridium single crystals. J Mater Sci Lett. 1990;9(10):1162.
Acknowledgements
This study was financially supported by the National Key R&D Program of China (No. 2017YFB0305503), the Joint Funds of the National Natural Science Foundation of China (No. U1202273) and the National Natural Science Foundation of China (No. 51501075).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Wu, JQ., Hu, R., Yang, JR. et al. Molecular dynamics simulation and micropillar compression of deformation behavior in iridium single crystals. Rare Met. 42, 3510–3517 (2023). https://doi.org/10.1007/s12598-019-01215-4
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12598-019-01215-4