Applied Physics A

, Volume 114, Issue 4, pp 1247–1256 | Cite as

Mechanical and fracture behaviors of defective silicon nanowires: combined effects of vacancy clusters, temperature, wire size, and shape

  • Jenn-Kun Kuo
  • Pei-Hsing Huang
  • Wei-Te Wu
  • Chi-Ming Lu
Article
First Online:
Received:
Accepted:

Abstract

Abstract The coupled effects of vacancy clusters (VCs), temperature, wire size, and geometry on the mechanical and fracture behaviors of defective silicon nanowires (Si NWs) were investigated using molecular dynamics modeling with Tersoff potential. The formation energies (E v ) of a monovacancy (3.933 eV) and a tetrahedron vacancy (10.189 eV) obtained in this study agree well with experimental results and ab initio calculation. Simulation results show that the slip deformations of defective Si NWs are triggered at the wire’s surface and edge due to the number of dangling bonds on the wire’s surface being much greater than that inside a vacancy defect. VC defects barely affect to the value of Young’s modulus, but substantially weaken the ultimate strength of wires with a small cross-sectional size. With decreasing wire size and increasing operation temperature, significant reductions in Young’s modulus and fracture strength were observed. The average Young’s modulus for square NWs was about 3.7 % higher than that of wires with a circular shape due to the surface facet effect. A brittle-to-ductile transition (BDT) occurred for [001]-oriented Si NWs with a lateral size≤5.43 nm and an operation temperature T≥300 K.

Keywords

Ultimate Strength Vacancy Cluster Vacancy Formation Energy Wire Size Atomic Vacancy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Notes

Acknowledgements

The authors acknowledge the National Science Council of Taiwan for financially supporting this research under grants NSC 100-2221-E-020-023- MY2 and NSC 101-2622-E-020-005-CC3.

References

  1. 1.
    Z.L. Wang, J. Song, Science 312, 242–246 (2006) ADSCrossRefGoogle Scholar
  2. 2.
    A. Colli, S. Hofmann, A. Fasoli, A.C. Ferrari, C. Ducati, R.E. Dunin-Borkowski, J. Robertson, Appl. Phys. A 85, 247–253 (2006) ADSCrossRefGoogle Scholar
  3. 3.
    S. Choi, A.P. Pisano, Appl. Phys. A 107(2), 421–428 (2012) ADSCrossRefGoogle Scholar
  4. 4.
    J. Andzane, N. Petkov, A.I. Livshits, J.J. Boland, J.D. Holmes, D. Erts, Nano Lett. 9, 1824 (2009) ADSCrossRefGoogle Scholar
  5. 5.
    J.L. Liu, Y. Lu, Y. Shi, S.L. Gu, R.L. Jiang, F. Wang, Y.D. Zheng, Appl. Phys. A 66, 539–541 (1998) ADSCrossRefGoogle Scholar
  6. 6.
    Y. Zhu, F. Xu, Q. Qin, W.Y. Fung, W. Lu, Nano Lett. 9, 3934–3939 (2009) CrossRefGoogle Scholar
  7. 7.
    V. Schmidt, S. Senz, U. Gosele, Appl. Phys. A 80, 445–450 (2005) ADSCrossRefGoogle Scholar
  8. 8.
    S. Cuenot, C. Fretigny, S. Demoustier-Champagne, B. Nysten, Phys. Rev. B 69, 165410 (2004) ADSCrossRefGoogle Scholar
  9. 9.
    G. Jing, X. Zhang, D. Yu, Appl. Phys. A 100, 473–478 (2010) ADSCrossRefGoogle Scholar
  10. 10.
    J.C. Gonzalez et al., Phys. Rev. Lett. 93, 126103 (2004) ADSCrossRefGoogle Scholar
  11. 11.
    B. Lee, R.E. Rudd, Phys. Rev. B 75, 041305 (2007) ADSCrossRefGoogle Scholar
  12. 12.
    M. Bruno, M. Palummo, A. Marini, R.D. Sole, V. Olevano, A.N. Kholod, S. Ossicini, Phys. Rev. B 72, 153310 (2005) ADSCrossRefGoogle Scholar
  13. 13.
    L. Zhang, H. Huang, Appl. Phys. Lett. 90, 023115 (2007) ADSCrossRefGoogle Scholar
  14. 14.
    H. Liang, M. Upmanyu, H. Huang, Phys. Rev. B 71, 241403(R) (2005) ADSCrossRefGoogle Scholar
  15. 15.
    P.H. Huang, J.K. Kuo, Appl. Phys. A, Mater. Sci. Process. 103, 1083–1092 (2011) ADSCrossRefGoogle Scholar
  16. 16.
    C. Ji, H.S. Park, Nanotechnology 18, 305704 (2007) ADSCrossRefGoogle Scholar
  17. 17.
    P.H. Huang, H.Y. Lai, Phys. Rev. B 77, 125408 (2008) ADSCrossRefGoogle Scholar
  18. 18.
    P.H. Huang, H.Y. Lai, Nanotechnology 19, 255701 (2008) ADSCrossRefGoogle Scholar
  19. 19.
    M. Menon, D. Srivastava, I. Ponomareva, L.A. Chernozatonskii, Phys. Rev. B 70, 125313 (2004) ADSCrossRefGoogle Scholar
  20. 20.
    K. Kang, W. Cai, Int. J. Plast. 26, 1387–1401 (2010) CrossRefMATHGoogle Scholar
  21. 21.
    D. Srivastava, M. Menon, I. Ponomareva, Nano Lett. 7(5), 1155–1159 (2007) ADSCrossRefGoogle Scholar
  22. 22.
    W.W. Zhang, Q.A. Huang, H. Yu, L.B. Lu, Adv. Mater. Res. 60–61, 315–319 (2009) Google Scholar
  23. 23.
    S.H. Park, J.S. Kim, J.H. Park, J.S. Lee, Y.K. Choi, O.M. Kwon, Thin Solid Films 492, 285–289 (2005) ADSCrossRefGoogle Scholar
  24. 24.
    A. Furmanchuk, O. Isayev, T.C. Dinadayalane, J. Leszczynski, J. Phys. Chem. C 115, 12283–12292 (2011) CrossRefGoogle Scholar
  25. 25.
    J. Tersoff, Phys. Rev. B 38, 9902 (1988) ADSCrossRefGoogle Scholar
  26. 26.
    J. Tersoff, Phys. Rev. B 39, 5566 (1989) ADSCrossRefGoogle Scholar
  27. 27.
    D.J. Evans, W.G. Hoover, B.H. Failor, B. Moran, A.J.C. Ladd, Phys. Rev. A 28, 1016 (1983) ADSCrossRefGoogle Scholar
  28. 28.
    J.N. Bright, D.J. Evans, D.J. Searles, J. Chem. Phys. 122, 194106 (2005) ADSCrossRefGoogle Scholar
  29. 29.
    J.M. Haile, Molecular Dynamics Simulation: Elementary Methods (Wiley Interscience, New York, 1992) Google Scholar
  30. 30.
    J.G. Swadener, M.I. Baskes, M. Nastasi, Mater. Sci. 72, 201202 (2005) Google Scholar
  31. 31.
    M. Pei, W. Wang, B.C. Pan, Y.P. Li, Chin. Phys. Lett. 17, 215 (2000) ADSCrossRefGoogle Scholar
  32. 32.
    S.K. Estreicher, J.L. Hastings, P.A. Fedders, Phys. Rev. B 57, 12663 (1998) ADSCrossRefGoogle Scholar
  33. 33.
    A. Bongiorno, L. Colombo, Europhys. Lett. 43, 695 (1998) ADSCrossRefGoogle Scholar
  34. 34.
    C.Z. Wang, C.T. Chan, K.M. Ho, Phys. Rev. Lett. 66, 189–192 (1991) ADSCrossRefGoogle Scholar
  35. 35.
    G.D. Watkins, J.W. Corbett, Phys. Rev. 134, A1359 (1964) ADSCrossRefGoogle Scholar
  36. 36.
    P.H. Huang, T.H. Fang, C.S. Chou, Curr. Appl. Phys. 11, 878–887 (2011) ADSCrossRefGoogle Scholar
  37. 37.
    J.A. Zimmerman, C.L. Kelchner, P.A. Klein, J.C. Hamilton, S.M. Foiles, Phys. Rev. Lett. 87, 165507 (2001) ADSCrossRefGoogle Scholar
  38. 38.
    R.E. Miller, V.B. Shenoy, Nanotechnology 11, 139–147 (2000) ADSCrossRefGoogle Scholar
  39. 39.
    Q. Liu, S. Shen, Int. J. Plast. 38, 146–158 (2012) CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  • Jenn-Kun Kuo
    • 1
  • Pei-Hsing Huang
    • 2
  • Wei-Te Wu
    • 3
  • Chi-Ming Lu
    • 2
  1. 1.Department of GreenergyNational University of TainanTainanTaiwan
  2. 2.Department of Mechanical EngineeringNational Pingtung University of Science and TechnologyPingtungTaiwan
  3. 3.Department of Biomechatronics EngineeringNational Pingtung University of Science and TechnologyPingtungTaiwan

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