Skip to main content Accessibility help
×
Home

Irradiation-induced ordering in Pt-Cu alloy focusing on Pt7Cu

  • T. Nagase (a1) (a2), Y. Seno (a1), H. Yasuda (a1) (a2) and H. Mori (a1)

Abstract

The existence of Pt7Cu ordering phase (intermetallic compound) was investigated by ab initio calculations and high voltage electron microscopy (HVEM) focusing on irradiation-induced ordering. The Pt7Cu ordering phase (cF32, prototype Ca7Ge) was predicted at 0 K through density functional theory (DFT), and using cluster expansion (CE) method and grand canonical Monte Carlo (GCMC) simulation, the ordering temperature of fcc-based Pt7Cu ordering phase was estimated to be above room temperature. The formation of Pt7Cu ordering phase was confirmed by a short-time irradiation for 3.6×103 s at 600 K. MeV electron irradiation can reduce drastically the annealing time for the ordering in the Pt-Cu alloy system, indicating that the combination of the prediction by ab initio calculations and HVEM can offer the unique opportunity to investigate the existence of ordering phase in alloys.

Copyright

References

Hide All
1. Chandler, B.D., Schabel, A.B., and Pignolet, L.H., J. Catal. 193, 186 (2000).
2. Epron, F., Gauthard, F., and Barbier, J., Appl. Catal. A237, 253 (2002).
3. Subramanian, P.R. and Laughlin, D.E., Phase Diagrams of Binary Copper Alloys, (ASM International, Ohio, 1993) p. 326.
4. Abe, T., Sundman, B., and Onodera, H., J. Phase. Equilib. Diffus. 27, 5 (2006).
5. Lu, Z. W., Wei, S. H., Zunger, A., Frota-Pessoa, S., and Ferreira, L. G., Phys. Rev. B44, 512 (1991).
6. Yuge, K., J. Phys. Condensed. Mater. 21, 415401 (2009).
7. Nelson, L. J., Hart, Guc L. W., and Curtarolo, S., Phys. Rev. B85, 054203 (2013).
8. Miida, R. and Watanabe, D., J. Appl. Cryst. 7, 50 (1974).
9. Schulson, E. M., J. of Nucl. Mater. 83, 239 (1979).
10. Banerjee, S. and Urban, K., Phys. Stat. Sol. A81, 145 (1984).
11. Banerjee, S., Urban, K., and Wikens, M., Acta. Metall. 32, 299 (1984).
12. Reuter, K.B., Williams, D.B., and Goldstein, J.I., Metall. Trans. A20, 711 (1989).
13. Van der Ven, A., Thomas, J., Xu, Q., Swoboda, B., and Morgan, D., Phys. Rev. B78, 104306 (2008).
14. Van der Ven, A., Thomas, J., Xu, Q., and Bhattacharya, J., Math. Comput. Simul. 80, 1393 (2010).
15. Hohenberg, P. and Kohn, W., Phys. Rev. 136, 864 (1964).
16. Kresse, G. and Hafner, J., Phys. Rev. B47, 558 (1993).
17. Kresse, G. and Hafner, J., Phys. Rev. B49, 1425 (1994).
18. Kresse, G. and Furthmulle, J., J. Comput. Mat. Sci. 6, 15 (1996).
19. Kresse, G. and Furthmuller, J., Phys. Rev. B54, 11169 (1996).
20. Kresse, G. and Joubert, D., Phys. Rev. B59, 1758 (1999).
21. Perdew, J. P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett. 77, 3865 (1996).
22. Perdew, J. P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett. 78, 1396 (1997).
23. Takaoka, A., Ura, K., Mori, H., Katsuta, T., Matsui, I., and Hayashi, S., J. Electron Microsc. 46, 447 (1997).
24. Seno, Y., Master's thesis, Osaka University (2013).

Keywords

Irradiation-induced ordering in Pt-Cu alloy focusing on Pt7Cu

  • T. Nagase (a1) (a2), Y. Seno (a1), H. Yasuda (a1) (a2) and H. Mori (a1)

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed