| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9803808 | Journal of Alloys and Compounds | 2005 | 5 Pages |
Abstract
The present work describes the calculation of the atomic shift of titanium atoms (6(h) Wyckoff positions) in Ti-20Al, Ti-25Al, Ti-30Al and Ti-45Al-5Nb alloys (all atom%) in the α2-phase using a Rietveld refinement procedure. The Ti atoms are slightly shifted from their regular cph atomic sites. This is related to the presence of symmetry elements in the α2-phase with D019 structure, which in turn allows local shifts due to different site occupancies resulting in different atomic potentials. The shift in the Ti positions changes the Ti-Ti and Ti-Al first neighbor bond lengths within and out of plane and also the size of tetrahedron.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
S. Banumathy, P. Ghosal, A.K. Singh,