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Atomic behavior of single-crystal Ti nanowire plastic deformation under high strain rate simple tension

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Abstract

The molecular dynamic (MD) method is utilized to investigate the mechanical properties and deformation mechanism of [0001] and \( \left[\overline{1}2\overline{1}0\right] \) Ti nanowires at a high tensile strain rate. The simulation results reveal that the yield behavior of the [0001] Ti nanowire was dominated by a transition phase and led to like twinning deformation. The deformation twin led to a crystal rotation with a large angle. The \( \left[\overline{1}2\overline{1}0\right] \) Ti nanowires yielded through dislocation slip by a pyramidal plane of the HCP crystal structure. Therefore, the yield strength of the \( \left[\overline{1}2\overline{1}0\right] \) Ti nanowires was lower than that of the [0001] Ti nanowires. The broken strain of the \( \left[\overline{1}2\overline{1}0\right] \) Ti nanowire was also lower than that of the [0001] Ti nanowire. After yielding, the Ti nanowires plastically deformed through the slipping of an extended dislocation (a pair of partial dislocations), such that an FCC stacking fault was formed in the HCP crystal structure between the partial dislocations. Another extended dislocation in the FCC stacking fault was formed and moved by the slipping mechanism, causing further plastic deformation and reducing the flow stress.

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Data availability

Due to the nature of this research, participants of this study did not agree for their data to be shared publicly, so supporting data are not available.

References

  1. Deng C, Sansoz F (2009) Enabling ultrahigh plastic flow and work hardening in twinned gold nanowires. Nano Lett 9:1517–1522. https://doi.org/10.1021/nl803553b

    Article  Google Scholar 

  2. Ye J, Mishra RK, Sachdev AK, Minor AM (2011) In situ TEM compression testing of Mg and Mg–0.2 wt.% Ce single crystals. Scr Mater 64:292–295. https://doi.org/10.1016/j.scriptamat.2010.09.047

    Article  Google Scholar 

  3. Fan H, El-Awady JA (2015) Molecular dynamics simulations of orientation effects during tension, compression, and bending deformations of magnesium nanocrystals. J Appl Mech 82:101006. https://doi.org/10.1115/1.4030930

    Article  Google Scholar 

  4. Ren J, Sun Q, Xiao L, Ding X, Sun J (2014) Phase transformation behavior in titanium single-crystal nanopillars under [0001] orientation tension: a molecular dynamics simulation. Comput Mater Sci 92:8–12. https://doi.org/10.1016/j.commatsci.2014.05.018

    Article  Google Scholar 

  5. Xu WH, Wang L, Guo Z, Chen X, Liu J, Huang XJ (2014) Copper nanowires as nanoscale interconnects: their stability, electrical transport, and mechanical properties. ACS Nano 9:241–250. https://doi.org/10.1021/nn506583e

    Article  Google Scholar 

  6. Sohn YS, Park J, Yoon G, Song J, Jee SW, Lee JH, Na S, Kwon T, Eom K (2009) Mechanical properties of silicon nanowires. Nanoscale Res Lett 5:211–216. https://doi.org/10.1007/s11671-009-9467-7

    Article  Google Scholar 

  7. Tang DM, Ren CL, Wang MS, Wei X, Kawamoto N, Liu C, Bando Y, Mitome M, Fukata N, Golberg D (2012) Mechanical properties of Si nanowires as revealed by in situ transmission electron microscopy and molecular dynamics simulations. Nano Lett 12:1898–1904. https://doi.org/10.1021/nl204282y

    Article  Google Scholar 

  8. Ma B, Rao Q, He Y (2016) Molecular dynamics simulation of temperature effect on tensile mechanical properties of single crystal tungsten nanowire. Comput Mater Sci 117:40–44. https://doi.org/10.1016/j.commatsci.2016.01.001

    Article  Google Scholar 

  9. Vazinishayan A, Yang S, Duongthipthewa A, Wang Y (2016) Effects of cross-section on mechanical properties of Au nanowire. AIP Adv 6:025006. https://doi.org/10.1063/1.4941831

    Article  Google Scholar 

  10. Boyer RR (1996) An overview on the use of titanium in the aerospace industry. Mater Sci Eng A 213:103–114. https://doi.org/10.1016/0921-5093(96)10233-1

    Article  Google Scholar 

  11. Schauerte O (2003) Titanium in automotive production. Adv Eng Mater 5:411–418. https://doi.org/10.1002/adem.200310094

    Article  Google Scholar 

  12. Rack HJ, Qazi JI (2006) Titanium alloys for biomedical applications. Mater Sci Eng C 26:1269–1277. https://doi.org/10.1016/j.msec.2005.08.032

    Article  Google Scholar 

  13. Partridge PG (1967) The crystallography and deformation modes of hexagonal close-packed metals. Metall Rev 12:169–194. https://doi.org/10.1179/mtlr.1967.12.1.169

    Article  Google Scholar 

  14. Nemat-Nasser S, Guo WG, Cheng JY (1999) Mechanical properties and deformation mechanisms of a commercially pure titanium. Acta Mater 47:3705–3720. https://doi.org/10.1016/S1359-6454(99)00203-7

    Article  Google Scholar 

  15. Beyerlein IJ, Tomé CN (2010) A probabilistic twin nucleation model for HCP polycrystalline metals. P Roy Soc A 466:2517–2544. https://doi.org/10.1098/rspa.2009.0661

    Article  Google Scholar 

  16. Yoo MH, Agnew SR, Morris JR, Ho KM (2001) Non-basal slip systems in HCP metals and alloys: source mechanisms. Mater Sci Eng A 319:87–92. https://doi.org/10.1016/S0921-5093(01)01027-9

    Article  Google Scholar 

  17. Yoo MH, Morris JR, Ho KM, Agnew SR (2002) Nonbasal deformation modes of HCP metals and alloys: role of dislocation source and mobility. Metall Mater Trans A 33:813–822. https://doi.org/10.1007/s11661-002-0150-1

    Article  Google Scholar 

  18. Serra A, Bacon DJ, Pond RC (2002) Twins as barriers to basal slip in hexagonal-close-packed metals. Metall Mater Trans A 3:809–812. https://doi.org/10.1007/s11661-002-0149-7

    Article  Google Scholar 

  19. Salem AA, Kalidindi SR, Semiatin SL (2005) Strain hardening due to deformation twinning in α-titanium: constitutive relations and crystal-plasticity modeling. Acta Mater 53:3495–3502. https://doi.org/10.1016/j.actamat.2005.04.014

    Article  Google Scholar 

  20. Salem AA, Kalidindi SR, Doherty RD, Semiatin SL (2006) Strain hardening due to deformation twinning in α-titanium: mechanisms. Metall Mater Trans A 37:259–268. https://doi.org/10.1007/s11661-006-0171-2

    Article  Google Scholar 

  21. Verkhovtsev AV, Yakubovich AV, Sushko GB, Hanauske M, Solov’yov AV (2013) Molecular dynamics simulations of the nanoindentation process of titanium crystal. Comput Mater Sci 76:20–26. https://doi.org/10.1016/j.commatsci.2013.02.015

    Article  Google Scholar 

  22. H. Zong, D. Xue, X. Ding, T. Lookman, Phase transformations in titanium: anisotropic deformation of ω phase. In: Journal of Physics: Conference Series IOP Publishing, 500 (2014) 112042. https://doi.org/10.1088/1742-6596/500/11/112042

  23. Cleri F, Rosato V (1993) Tight-binding potentials for transition metals and alloys. Phys Rev B 48:22–33. https://doi.org/10.1103/PhysRevB.48.22

    Article  Google Scholar 

  24. Verlet L (1967) Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys Rev 159:98–103. https://doi.org/10.1103/PhysRev.159.98

    Article  Google Scholar 

  25. Gear CW (1971) Numerical initial value problems in ordinary differential equations. Prentice-Hall, PTR

    MATH  Google Scholar 

  26. Basinski ZS, Duesbery MS, Taylor R (1971) Influence of shear stress on screw dislocations in a model sodium lattice. Can J Phys 49:2160–2180. https://doi.org/10.1139/p71-262

    Article  Google Scholar 

  27. Srolovitz D, Maeda K, Vitek V, Egami T (1981) Structural defects in amorphous solids statistical analysis of a computer model. Philos Mag A 44:847–866. https://doi.org/10.1080/01418618108239553

    Article  Google Scholar 

  28. Miyazaki N, Shiozaki Y (1996) Calculation of mechanical properties of solids using molecular dynamics method. JSME Int J A 39:606–612. https://doi.org/10.1299/jsmea1993.39.4_606

    Article  Google Scholar 

  29. Stukowski A (2012) Structure identification methods for atomistic simulations of crystalline materials. Model Simul Mater Sci Eng 20:045021. https://doi.org/10.1088/0965-0393/20/4/045021

    Article  Google Scholar 

  30. Stukowski A (2010) Visualization and analysis of atomistic simulation data with OVITO—the open visualization tool, Model. Simul Mater Sci Eng 18:015012. https://doi.org/10.1088/0965-0393/18/1/015012

    Article  Google Scholar 

  31. L. Chang, C.Y. Zhou, H.X. Liu, J. Li, X. H. He, Orientation and strain rate dependent tensile behavior of single crystal titanium nanowires by molecular dynamics simulations, J Mater Sci Technol 34 (2018) 864–877. https://doi.org/10.1016/j.jmst.2017.03.011

  32. Chang L, Zhou CY, Wen LL, Li J, He XH (2017) Molecular dynamics study of strain rate effects on tensile behavior of single crystal titanium nanowire. Comput Mater Sci 128:348–358. https://doi.org/10.1016/j.commatsci.2016.11.034

    Article  Google Scholar 

  33. Chang L, Zhou CY, Pan XM, He XH (2017) Size-dependent deformation mechanism transition in titanium nanowires under high strain rate tension. Mater Des 134:320–330. https://doi.org/10.1016/j.matdes.2017.08.058

    Article  Google Scholar 

  34. Zhong Y, Yin F, Nagai K (2008) Role of deformation twin on texture evolution in cold-rolled commercial-purity Ti. J Mater Res 23:2954–2966. https://doi.org/10.1557/JMR.2008.0354

    Article  Google Scholar 

  35. Jiang S, Jiang Z, Chen Q (2019) Deformation twinning mechanism in hexagonal-close-packed crystals. Sci Rep 9:1–5. https://doi.org/10.1038/s41598-018-37067-8

    Article  Google Scholar 

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Acknowledgments

The authors thank National Center for High-performance Computing (NCHC) of National Applied Research Laboratories (NARLabs) of Taiwan for providing computational platform.

Code availability

The program code used in this study was developed by the research team of Yuan-Ching Lin with DevC++ computer language. So far, the program is under development but is not a complete package. The DevC++ code that used in this study is available from the corresponding author, Yuan-Ching Lin, upon reasonable request. The atomic visualization and analysis software OVITO are available to download at its official website.

Funding

This research was funded by the Ministry of Science and Technology of the Republic of China, Taiwan, under Contract No. MOST 105-2221-E-011-043.

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Authors and Affiliations

  1. Department of Mechanical Engineering, National Taiwan University of Science and Technology, 43, Keelung Road, Section 4, Taipei, 10607, Taiwan

    Yuan-Ching Lin, Jing-Ren Zheng & Shao-Chan Lu

Authors
  1. Yuan-Ching Lin
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  2. Jing-Ren Zheng
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Contributions

Yuan-Ching Lin directed this study. Yuan-Ching Lin and Jing-Ren Zheng designed the architecture and simulation code of the model; then they carried out the simulations and data analysis. Yuan-Ching Lin wrote the manuscript with the help from Shao-Chan Lu.

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Correspondence to Yuan-Ching Lin.

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Lin, YC., Zheng, JR. & Lu, SC. Atomic behavior of single-crystal Ti nanowire plastic deformation under high strain rate simple tension. Int J Adv Manuf Technol 109, 727–743 (2020). https://doi.org/10.1007/s00170-020-05680-5

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