合金元素在12Cr1MoV固溶体中贫化的电子理论分析

Electron Theory Analysis of Alloying Elements Impoverishment in 12Cr1MoV

计算了 12Cr1MoV中α Fe、α Fe Me单元从 2 0℃到 70 0℃的价电子结构及键能。通过对比α Fe单元的B键和α Fe Me单元的C键这两个等同键的价电子结构参数及键能 ,从价电子层次 ,对 12Cr1MoV固溶体中合金元素的贫化进行了分析。发现同温下Mo贫化的最严重 ,Cr其次 ,V几乎不变 ,而且随温度升高 ,各种合金元素的贫化加剧。

The valence electron structures and bond energies of α\|Fe and α\|Fe\|Me in 12Cr1MoV are computed from 20 centigrade to 700 centigrade.From the level of valence electron structure,alloying elements impoverishment in 12Cr1MoV is analyzed by contrasting the valence electron structure parameters and bond energies of identical bonds in α\|Fe and α\|Fe\|Me.It is found that the molybdenum is the most serious impoverishment element among the three elements,then chromium and vanadium.And with the temperature going up,the impoverishment becomes more serious.