材料期刊网

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

金属学报(英文版)

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

关键词: molecular orbital theory , null , null