Paper Title:
Recent Progress in Molecular Orbital Approach to Alloy Design
  Abstract

A molecular orbital approach to alloy design has recently made great progress. This approach is based on the electronic structure calculations by the DV-Xα molecular orbital method. New PHACOMP and the d-electrons concept have been constructed and applied to alloy design. Recently, nickel-based single crystal superalloys for power generation gas turbine blades and high Cr ferritic steels for turbine rotors have been developed successfully with this approach.

  Info
Periodical
Materials Science Forum (Volumes 449-452)
Edited by
S.-G. Kang and T. Kobayashi
Pages
37-42
DOI
10.4028/www.scientific.net/MSF.449-452.37
Citation
M. Morinaga , H. Yukawa, "Recent Progress in Molecular Orbital Approach to Alloy Design", Materials Science Forum, Vols. 449-452, pp. 37-42, 2004
Online since
March 2004
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Price
$32.00
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