Skip to main content
×
×
Home

Tilt Boundaries In BCC Metals:Comparison of Results Using Different Interatomic Interactions

  • S. M. Foiles (a1), M. S. Daw (a1) and R. B. Phillips (a1)
Abstract

Two classes of interatomic interactions, the embedded atom method and the model generalized pseudopotential theory are used to calculate the structure of tilt boundaries in bcc metals.These interactions differ in the inclusion of explicitlyangular dependent interactions. The results show that these different models of the interactions can lead to qualitatively different predictions for the atomic structure of the boundary. The applicability of the embedded atom method to bcc transition metals is also discussed.

Copyright
References
Hide All
1 Daw, M. S. and Baskes, M. I., Phys. Rev. B 29, 6443 (1984);
1a.Foiles, S. M., Baskes, M. I. and Daw, M. S., Phys. Rev. B 33, 7983 (1986).
2 Finnis, M. W. and Sinclair, J. E., Philos. Mag. B 50, 45 (1984)
3 Moriarty, J. A., Phys. Rev. B 42, 1609 (1990);
3a.and references therein.
4 Foiles, S. M., in Surface Segregation Phenomena, edited by Dowben, P. A. and Miller, A. (CRC Press, Boca Raton, 1990);
4a.Daw, M. S., in Reconstruction of Solid Surfaces, edited by Christmann, K. and Heinz, K., (Springer-Verlag, Berlin, in press).
5 Johnson, R. A. and Oh, D. J., J. Mater. Research 4, 1195 (1989).
6 Eridon, J. and Rao, S., Philos. Mag. Lett. 57, 31 (1989).
7 Adams, J. B. and Foiles, S. M., Phys. Rev. B 41, 3316 (1990).
8 see for example, Rebonato, R. and Broughton, J. Q., Philos. Mag. Lett. 55, 225 (1987);
8a.Rebonato, R.,Welch, D. O., Hatcher, R. D., and Billelo, J. C., Philos. Mag. A 55, 655 (1987);
8b.Harder, J. M. and Bacon, D. J., Philos. Mag. A 54, 651 (1987);
8c.Matthai, C. C. and Bacon, D. J., Philos. Mag. A 52,1 (1985);
8d.Ackland, G. J. and Thetford, R., Philos. Mag. A 56, 15 (1987).
9 Jacobsen, K. W., Norskov, J. K., Puska, M. J., Phys. Rev. B 35, 7423, (1987).
10Daw, M. S., Phys. Rev. B 39, 7441 (1989).
11 Foiles, S. M., Surf. Sci. 191, L779 (1987).
12 Foiles, S. M., Phys. Rev. B 32, 3409 (1985).
13 The expression for the vacancy formation energy in terms of u(R) is only approximate. It ignores second order and higher contributions from the change in the electron density at the atoms adjacent to the vacancy. These higher order contributions typically make only a small (< 0.1 eV)contribution to the vacancy formation energy.
14 see for example, Baskes, M. I. and Melius, C. F., Phys. Rev. B 20, 3197 (1979).
15 Work is in progress to incorporate the density dependence of the multi-ion interactions; J. A.Moriarty, private communication.
16 Moriarty, J. A., private communication.
Recommend this journal

Email your librarian or administrator to recommend adding this journal to your organisation's collection.

MRS Online Proceedings Library (OPL)
  • ISSN: -
  • EISSN: 1946-4274
  • URL: /core/journals/mrs-online-proceedings-library-archive
Please enter your name
Please enter a valid email address
Who would you like to send this to? *
×

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 4 *
Loading metrics...

Abstract views

Total abstract views: 58 *
Loading metrics...

* Views captured on Cambridge Core between September 2016 - 20th July 2018. This data will be updated every 24 hours.