Acta Metallurgica Sinica (English Letters) ›› 1993, Vol. 6 ›› Issue (3): 145-152.

• Research paper •     Next Articles

APPLICATION OF MOLECULAR ORBITAL THEORY TO ANALYSIS OF PHASE STABILITY FOR ALLOYS

YIN Hong TAO Kun PAN Jinsheng LI Hengde Tsinghua University,Beijing,China professor.Department of Materials Science and Engineering,Tsinghua University,Beijing 100084,China   

  • Received:1993-06-25 Revised:1993-06-25 Online:1993-06-25 Published:2009-10-10

Abstract: The critical _d vahues ( _ ) of the γ/(γ+σ).γ/(γ+μ) and γ/(γ+γ') phase boundaries in some ternar alloy phase diagrams at various temperatures are calculated by averaging the _d values of sererai selected characteristic points at the phase boundaries.Approxmate equations for the temperature dependence of the critical _d of γ/(γ+σ).γ/(γ+μ) and γ/(γ+γ') phase boundaries are established.The accuracy of the analysis is discussed in detail. It is found for the first time that the average value of the bond order _ at the phase boundaries ts also approximatelr a constant and therefore a critical average bond order _ like - can be introduced for the analysts of phase stability

Key words: molecular orbital theory, allov phase, stabilitv