Alloy Design Based on Molecular Orbital Method

Masahiko Morinaga; Yoshinori  Murata; Hiroshi Yukawa

doi:10.4028/www.scientific.net/MSF.475-479.3099

Paper Titles

A Modeling Study of Cyclical Phase Transformations
p.3081

Defect Properties in GaN: Ab Initio and Empirical Potential Calculations
p.3087

Point Defects and Re in L1₂ Ni₃Al: Atomic Studies
p.3091

First-Principles Calculations of Titanium Dopants in Alumina
p.3095

Alloy Design Based on Molecular Orbital Method
p.3099

Density Functional Calculations on Electronic and Magnetic Properties of Fe-Pt Systems
p.3103

Effect of Alloying Elements on the Electronic Structure of NiAl
p.3107

Stability and Structures of Constitutional Defects in Nonstoichiometric Intermetallic Compounds by First-Principles Calculations
p.3111

Atomic-Scale Computer Simulation of Mixture Precipitation Mechanism for Ni₇₅Al_xV_25-x Alloy
p.3115

HomeMaterials Science ForumMaterials Science Forum Vols. 475-479Alloy Design Based on Molecular Orbital Method

Alloy Design Based on Molecular Orbital Method

Abstract:

A molecular orbital approach to alloy design has recently made great progress. Single crystal Ni-based superalloys and high Cr ferritic steels have been developed following this approach. Some perspectives will also be described on the design of heat resistant alloys.

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Periodical:

Materials Science Forum (Volumes 475-479)

Pages:

3099-3102

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.475-479.3099

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Online since:

January 2005

Authors:

Masahiko Morinaga, Yoshinori Murata, Hiroshi Yukawa

Keywords:

Alloy Design, Defect Structure, D-Electrons Concept, Ferritic Steel, Heat Resistant Alloy, Impurity Element, Molecular Orbital Method, New Phacomp, Nickel-Based Superalloy

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References

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