Papers by Keyword: New Phacomp

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.

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.