Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9804212 | Journal of Alloys and Compounds | 2005 | 14 Pages |
Abstract
An analysis of the site substitution behavior of Pd in NiTi was performed using the BFS method for alloys. Through a combination of Monte Carlo simulations and detailed atom-by-atom energetic analyses of various computational cells, representing compositions of NiTi with up to 10Â at.% Pd, a detailed understanding of the site occupancy of Pd in NiTi was revealed. Pd substituted at the expense of Ni in an NiTi alloy will prefer the Ni-sites. Pd substituted at the expense of Ti shows a very weak preference for Ti-sites that diminishes as the amount of Pd in the alloy increases and as the temperature increases.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Guillermo Bozzolo, Ronald D. Noebe, Hugo O. Mosca,