Recent Progress in Molecular Orbital Approach to Alloy Design |
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| Journal | Materials Science Forum (Volumes 449 - 452) |
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| Volume | Designing, Processing and Properties of Advanced Engineering Materials |
| Edited by | S.-G. Kang and T. Kobayashi |
| Pages | 37-42 |
| DOI | 10.4028/www.scientific.net/MSF.449-452.37 |
| Citation | Masahiko Morinaga et al., 2004, Materials Science Forum, 449-452, 37 |
| Online since | March, 2004 |
| Authors | Masahiko Morinaga, Hiroshi Yukawa |
| Keywords | Alloy Design, D-Electrons Concept, Ferritic Steel, Heat Resistant Alloys, Molecular Orbital Method, New Phacomp, Super Alloy |
| 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. |
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