合金元素对奥氏体相变点影响的价电子理论研究

Study on the Valence Electron Theory for the Effect of Alloying Elements on the M_s of Austenite

依据“固体与分子经验电子理论”的键距差分析法建立了一元合金奥氏体的价电子结构,并利用共价键键能公式计算了结构单元中最强键和次强键的共价键能,提出了合金元素影响奥氏体相变点的判据,从电子结构层次上探讨了合金元素对奥氏体相变点(M_n)的影响。研究表明:将影响奥氏体相变点的判据应用到奥氏体的相变时,计算结果与实验结果基本符合。

The Valence Electron Structure (VES) of alloying austenite is established by using Bond Length Difference (BLD) method of Empirical Electron Theory of Solids and Molecules. According to the bond energies, in which the most powerful and secondary most powerful bond are calculated, the criterion for the effect of alloying elements on the M_s is set up, and then the analysis of VES for alloying elements affection on the M_s of austenite is made. It is shown that the result of calculation is agreed with the experiments when applying that criterion to the phase transformation.