14
Views
0
CrossRef citations to date
0
Altmetric
Original Articles

A computer simulation study and critical evaluation of the displacement fields and elastic dipole tensors of oxygen and nitrogen in b.c.c. transition metals

&
Pages 335-346 | Received 17 Nov 1988, Accepted 23 Jan 1989, Published online: 20 Aug 2006
 

Abstract

In this paper, we analyse the experimental information (elastic dipole tensor, diffuse scattering and static Debye-Waller effect) regarding the displacement field caused by 0 and N interstitials in b.c.c. transition metals. The modified n-body Finnis-Sinclair potentials were used to describe the metal-metal interaction. With these potentials, the displacement field proposed to explain the observed reduction in intensity due to static Debye-Waller effect was found to be incompatible with the experimental elastic dipole tensor. Good compatibility was found between the elastic dipole tensor implied by the diffuse scattering experiments and its experimental values. A significant softening of specific high-symmetry vibrational modes was observed, lending support to the local condensation of a rumpled o phase in the vicinity of an interstitial. Certain paradoxes displayed by a geometrical analysis of the displacement field proposed to account for the diffuse scattering from N in Nb are also discussed.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.