Skip to main content

Advertisement

Springer Nature Link
Log in

Radiation-induced structural evolution in Zr2Cu metallic glass

  • Computation
  • Published:
Journal of Materials Science Aims and scope Submit manuscript

Abstract

Seeking nuclear materials that possess a high resistance against particle radiation damage is a long-standing issue. In this work, to reveal the radiation effect on the metallic glasses (MGs), the atomistic structural evolution of MGs induced by particle radiation is investigated, by performing a molecular dynamics simulation. It is found that radiation-induced vacancy-like defects appear in the MG structural model during the collision cascades. However, these defects are transient and unstable that they are fully annihilated. In particular, free volumes which are specific structural characteristics in MGs can annihilate these transient defects. In addition, there is a rearrangement of free volumes that large free volumes change into small ones and are apt to distribute homogeneously in the amorphous model after structural relaxation, so that the problems of radiation-induced structural instability and energy imbalance are solved. This work will shed light on evaluating the structural stability of MGs under particle radiation.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Subscribe and save

Springer+ Basic
$34.99 /Month
  • Get 10 units per month
  • Download Article/Chapter or eBook
  • 1 Unit = 1 Article or 1 Chapter
  • Cancel anytime
Subscribe now

Buy Now

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Figure 1
Figure 2
Figure 3
Figure 4
Figure 5
Figure 6
Figure 7

Similar content being viewed by others

Explore related subjects

Discover the latest articles and news from researchers in related subjects, suggested using machine learning.

References

  1. Yvon P, Carré F (2009) Structural materials challenges for advanced reactor systems. J Nucl Mater 385:217–222

    Article  Google Scholar 

  2. Zinkle SJ, Busby JT (2009) Structural materials for fission and fusion energy. Mater Today 12:12–19

    Article  Google Scholar 

  3. Zinkle SJ, Was GS (2013) Materials challenges in nuclear energy. Acta Mater 61:735–758

    Article  Google Scholar 

  4. Rubia TDDL, Zbib HM, Khraishi TA, Wirth BD, Victoria M, Caturla MJ (2000) Multiscale modelling of plastic flow localization in irradiated materials. Nature 406:871–874

    Article  Google Scholar 

  5. Sickafus KE et al (2007) Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides. Nat Mater 6:217–223

    Article  Google Scholar 

  6. Fu CC, Torre JD, Willaime F, Bocquet JL, Barbu A (2004) Multiscale modelling of defect kinetics in irradiated iron. Nat Mater 4:68–74

    Article  Google Scholar 

  7. Nordlund K, Ghaly M, Averback RS, Tarus J (1998) Defect production in collision cascades in elemental semiconductors and FCC metals. Phys Rev B 57:7556–7570

    Article  Google Scholar 

  8. Norris DIR (1972) Voids in irradiated metals. I. Radiat Eff 14:1–37. https://doi.org/10.1080/00337577208230470

    Article  Google Scholar 

  9. Shen TD, Feng S, Tang M, Valdez JA, Wang Y, Sickafus KE (2007) Enhanced radiation tolerance in nanocrystalline MgGa2O4. Appl Phys Lett 90:749–763

    Google Scholar 

  10. Demkowicz MJ, Hoagland RG, Hirth JP (2007) Interface structure and radiation damage resistance in Cu–Nb multilayer nanocomposites. Phys Rev Lett 100:136102

    Article  Google Scholar 

  11. Greer AL (1993) Confusion by design. Nature 366:303–304

    Article  Google Scholar 

  12. Johnson William L (1999) Bulk glass-forming metallic alloys: science and technology. MRS Bull 24:42–56

    Article  Google Scholar 

  13. Kramer EA, Johnson WL, Cline C (1979) The effects of neutron irradiation on a superconducting metallic glass. Appl Phys Lett 35:815–818

    Article  Google Scholar 

  14. Weber WJ et al (1997) Radiation effects in glasses used for immobilization of high-level waste and plutonium disposition. J Mater Res 12:1948–1978

    Article  Google Scholar 

  15. Gerling R, Schimansky FP, Wagner R (1987) Restoration of the ductility of thermally embrittled amorphous alloys under neutron-irradiation. Acta Metall 35:1001–1006

    Article  Google Scholar 

  16. Magagnosc DJ, Ehrbar R, Kumar G, He MR, Schroers J, Gianola DS (2013) Tunable tensile ductility in metallic glasses. Sci Rep 3:1096

    Article  Google Scholar 

  17. Bacon DJ, Osetsky YN, Stoller R, Voskoboinikov RE (2003) MD description of damage production in displacement cascades in copper and α-iron. J Nucl Mater 323:152–162

    Article  Google Scholar 

  18. Bai XM, Voter AF, Hoagland RG, Nastasi M, Uberuaga BP (2010) Efficient annealing of radiation damage near grain boundaries via interstitial emission. Science 327:1631–1634

    Article  Google Scholar 

  19. Mendelev MI, Sordelet DJ, Kramer MJ (2007) Using atomistic computer simulations to analyze X-ray diffraction data from metallic glasses. J Appl Phys 102:043501–043507

    Article  Google Scholar 

  20. Biersack JP, Ziegler JF (1985) The stopping and range of ions in solids. Pergamon Press, Oxford

    Google Scholar 

  21. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1–19

    Article  Google Scholar 

  22. Zhang F, Mendelev MI, Zhang Y, Wang CZ, Kramer MJ, Ho KM (2014) Effects of sub-Tg annealing on Cu64.5Zr35.5 glasses: a molecular dynamics study. Appl Phys Lett 104:061905

    Article  Google Scholar 

  23. Crocombette JP, Ghaleb D (2001) Molecular dynamics modeling of irradiation damage in pure and uranium-doped zircon. J Nucl Mater 295:167–178

    Article  Google Scholar 

  24. Ziegler JF, Ziegler MD, Biersack JP (2010) SRIM—the stopping and range of ions in matter. Nucl Instrum Methods B 268:1818–1823

    Article  Google Scholar 

  25. Allen MP, Tildesley DJ, Banavar JR (1987) Computer simulation of liquids. Oxford University Press, Oxford

    Google Scholar 

  26. Hoover WG (1985) Canonical dynamics: equilibrium phase-space distributions. Phys Rev A 31:1695–1697

    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

    Article  Google Scholar 

  28. Bennett CH, Chaudhari P, Moruzzi V, Steinhardt P (1979) On the stability of vacancy and vacancy clusters in amorphous solids. Philos Mag A 40:485–495

    Article  Google Scholar 

  29. Moser P, Hautojarvi P, Yli-Kauppila J, Corbel C (1982) Point defects in amorphous Fe80B20 and Fe40Ni40P14B6 studied by positron lifetime and magnetic after-effect. Radiat Eff 62:153–160

    Article  Google Scholar 

  30. Wu SY, Wei SH, Guo GQ, Wang JG, Yang L (2016) Structural mechanism of the enhanced glass-forming ability in multicomponent alloys with positive heat of mixing. Sci Rep 6:38098

    Article  Google Scholar 

  31. Cui X, Zu FQ, Zhang WJ, Wang ZZ, Li XY (2013) Phase competition of Cu64Zr36 and its effect on glass forming ability of the alloy. Cryst Res Technol 48:11–15

    Article  Google Scholar 

  32. Wakeda M, Shibutani Y, Ogata S, Park J (2007) Relationship between local geometrical factors and mechanical properties for Cu–Zr amorphous alloys. Intermetallics 15:139–144

    Article  Google Scholar 

  33. Egami T, Maeda K, Vitek V (1980) Structural defects in amorphous solids A computer simulation study. Philos Mag A 41:883–901

    Article  Google Scholar 

  34. Chimi Y, Iwase A, Ishikawa N, Kobiyama M, Inami T, Okuda S (2001) Accumulation and recovery of defects in ion-irradiated nanocrystalline gold. J Nucl Mater 297:355–357

    Article  Google Scholar 

  35. Nita N, Schaeublin R, Victoria M (2004) Impact of irradiation on the microstructure of nanocrystalline materials. J Nucl Mater 329:953–957

    Article  Google Scholar 

  36. Cohen MH, Turnbull D (1959) Molecular transport in liquids and glasses. J Chem Phys 31:1164–1169

    Article  Google Scholar 

  37. Turnbull D, Cohen MH (1961) Free-volume model of the amorphous phase: glass transition. J Chem Phys 34:120–125

    Article  Google Scholar 

  38. Turnbull D, Cohen MH (1970) On the free-volume model of the liquid-glass transition. J Chem Phys 52:3038–3041

    Article  Google Scholar 

  39. Yang L et al (2012) Atomic-scale mechanisms of the glass-forming ability in metallic glasses. Phys Rev Lett 109:105502

    Article  Google Scholar 

  40. Shi Y, Falk ML (2007) Stress-induced structural transformation and shear banding during simulated nanoindentation of a metallic glass. Acta Mater 55:4317–4324

    Article  Google Scholar 

  41. Nagel C, Rätzke K, Schmidtke E, Faupel F, Ulfert W (1999) Positron-annihilation studies of free-volume changes in the bulk metallic glass Zr65Al7.5Ni10Cu17.5 during structural relaxation and at the glass transition. Phys Rev B 60:9212–9215

    Article  Google Scholar 

  42. Puff W, Rabitsch H, Wilde G, Dinda GP, Würschum R (2007) Chemically sensitive free-volume study of amorphization of Cu60Zr40 induced by cold rolling and folding. J Appl Phys 101:123512

    Article  Google Scholar 

  43. Liu XJ, Chen GL, Hui X, Liu T (2008) Ordered clusters and free volume in a Zr–Ni metallic glass. Appl Phys Lett 93:011911–011913

    Article  Google Scholar 

  44. Tan J et al (2011) Correlation between internal states and plasticity in bulk metallic glass. Appl Phys Lett 98:151906

    Article  Google Scholar 

Download references

Acknowledgements

Financial supports from the National Natural Science Foundation of China (Grant Nos. 51471088 and U1332112), the Fundamental Research Funds for the Central Universities (Grant No. NE2015004), and the project funded by the Priority Academic Program Development (PAPD) of Jiangsu Higher Education Institutions are gratefully acknowledged.

Author information

Authors and Affiliations

  1. College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, People’s Republic of China

    Y. F. Wang, H. Y. Li & L. Yang

Authors
  1. Y. F. Wang
    View author publications

    You can also search for this author inPubMed Google Scholar

  2. H. Y. Li
    View author publications

    You can also search for this author inPubMed Google Scholar

  3. L. Yang
    View author publications

    You can also search for this author inPubMed Google Scholar

Corresponding author

Correspondence to L. Yang.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Wang, Y.F., Li, H.Y. & Yang, L. Radiation-induced structural evolution in Zr2Cu metallic glass. J Mater Sci 53, 10979–10986 (2018). https://doi.org/10.1007/s10853-018-2358-5

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10853-018-2358-5

Keywords