Hostname: page-component-7bb8b95d7b-dtkg6 Total loading time: 0 Render date: 2024-09-12T11:23:45.311Z Has data issue: false hasContentIssue false
  • English
  • Français

Atomistic Simulation of Radiation-Induced Amorphization of the B2 Ordered Intermetallic Compound NiTi

Published online by Cambridge University Press:  26 February 2011

Michael J. Sabochick  and
Nghi Q. Lam
Michael J. Sabochick
Affiliation:
Air Force Institute of Technology, Department of Engineering Physics, Wright-Patterson Air Force Base, OH 45-133-65S3
Nghi Q. Lam
Affiliation:
Argonne National Laboratory, Materials Science Division, Argonne, IL 60-139
Get access

Abstract

Amorphization of the B2 intermetallic compound NiTi under electron irradiation has been investigated using molecular dynamics. The effect of irradiation was simulated using two processes: 1) Ni and Ti atoms were exchanged, resulting in chemical disorder, and 2) Frenkel pairs were introduced, leading to the formation of stable point defects and also chemical disorder upon mutual recombination of interstitials and vacancies. After ∼0.1 exchanges per atom, the first process resulted in an energy increase of approximately 0.11 eV/atom and a volume increase of 1.91%. On the other hand, after introducing ∼0.5 Frenkel pairs per atom, the second process led to smaller increases of 0.092 eV/atom in energy and 1.43% in volume. The calculated radial distribution functions (RDFs) were essentially identical to each other and to the calculated RDF of a quenched liquid. The structure factor, however, showed that long-range order was still present after atom exchanges, while the introduction of Frenkel pairs resulted in the loss of long-range order. It was concluded that point defects are necessary for amorphization to occur in NiTi, although chemical disorder alone is capable of storing enough energy to make the transition possible.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 201: Symposium A – Surface Chemistry and Beam-Solid Interactions , 1990 , 387
Copyright
Copyright © Materials Research Society 1991

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Maeda, K. and Takeuchi, S., Phil. Mag. B 52, 955 (1985).Google Scholar
2. Hsieh, H. and Yip, S., Phys. Rev. Lett. 59, 2760 (1987).Google Scholar
3. Limoge, Y., Rahman, A., Hsieh, H. and Yip, S., J. Non-Cryst. Solids 99, 75 (1988).Google Scholar
4. Hsieh, H. and Yip, S., Phys. Rev. B 39, 7476 (1989).Google Scholar
5. Limoge, Y. and Barbu, A., Phys. Rev. B 30, 2212 (1984).Google Scholar
6. Simonen, E. P., Nucl. Instr. and Meth. B 16, 198 (1986).Google Scholar
7. Pedraza, D. F., J. Mater. Res. 1, 425 (1986).Google Scholar
8. Massobrio, C., Pontikis, V. and Martin, G., Phys. Rev. Lett. 62, 1142 (1989).Google Scholar
9. Massobrio, C., Pontikis, V. and Martin, G., Phys. Rev. B 41, 10486 (1990).Google Scholar
10. Luzzi, D. E. and Meshii, M., Res Mechanica 21, 207 (1987).Google Scholar
11. Sabochick, M. J. and Lam, N. Q., Scripta Met. et Mater. 24, 565 (1990).Google Scholar
12. Sabochick, M. J. and Lam, N. Q., Phys. Rev. B, accepted for publication.Google Scholar
13. Daw, M. S., Baskes, M. I. and Foiles, S. M. (private communication).Google Scholar
14. Oh, D. J. and Johnson, R. A., J. Mater. Res. 3, 471 (1988).Google Scholar
15. Sabochick, M. J. and Lam, N. Q., to be published.Google Scholar
16. Shoemaker, J. R., Wesley, D., Wharton, W. R., Oehrli, M. L., Sabochick, M. J. and Lam, N. Q., Mater. Res. Soc. Proc. 193, 339 (1990).Google Scholar
17. Shoemaker, J. R., Lutton, R. T., Wesley, D., Wharton, W. R., Oehrli, M. L., Herte, M. S., Sabochick, M. J. and Lam, N. Q., J. Mater. Res., accepted for publication.Google Scholar
18. Lutton, R. T., Sabochick, M. J. and Lam, N. Q., presented at the Mater. Res. Soc. Fall Meeting, Syposium K: Defects in Materials, Boston MA, Nov. 26–30, 1990.Google Scholar