Alloying Effect on the Electronic Structure of Ni3Al ( γ')

摘要: The influence of a number alloying transition elements on the electronic structure Ni 3 Al ( γ') has been studied by DV-X α cluster method. d orbital levels appear above Fermi level, and these change monotonously with atomic number, electronegativity metallic radius element. These level structures associated electrons characterize as whether they are partitioning to γ phase, γ' phase or grainboundary. substitution for either site was also discussed in terms structure. Further, ionicity each element, bond order between have calculated, which provide basic informations understanding nature alloy. were found be useful developing better nickel base superalloys high performance at elevated temperatures.