Paper Title:
Effect of Alloying Elements on the Electronic Structure of NiAl
  Abstract

The change of the electronic structure in NiAl is investigated through DVM-the first principle method when Al in NiAl is substituted by Sc,Ti,V, Cr, Mn, Fe, Co, Ni, Cu, Zn. The results including Mulliken population, the charge distribution and cohesion energies are presented. The calculation of the electronic structure indicates that the substitution atoms take effect on the electronic structure of Ni and Al atoms surrounding the substitution atoms, and the ductility of NiAl. Among the substitution atoms that we studied, Fe, Co and Ni with more d electrons may be good for the ductility of NiAl.

  Info
Periodical
Materials Science Forum (Volumes 475-479)
Main Theme
Edited by
Z.Y. Zhong, H. Saka, T.H. Kim, E.A. Holm, Y.F. Han and X.S. Xie
Pages
3107-3110
DOI
10.4028/www.scientific.net/MSF.475-479.3107
Citation
F. Yang, D. L. Zhao, "Effect of Alloying Elements on the Electronic Structure of NiAl", Materials Science Forum, Vols. 475-479, pp. 3107-3110, 2005
Online since
January 2005
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$35.00
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