(1. 河南科技大學(xué) 材料科學(xué)與工程學(xué)院，洛陽 471003；
2. 上海理工大學(xué) 機械工程學(xué)院，上海 200093；
3. 西北大學(xué) 物理學(xué)系，西安 710069)
摘 要:
基于固體與分子經(jīng)驗電子理論(EET)，建立Cu-Cr合金的相空間價電子結(jié)構(gòu)計算模型和方法，計算不同Cr含量的銅合金中各個結(jié)構(gòu)單元的相空間價電子結(jié)構(gòu)，從相空間價電子結(jié)構(gòu)角度探討合金元素的合金化行為，從電子結(jié)構(gòu)層次探討合金元素對基體所產(chǎn)生的固溶強化效應(yīng)；提出與銅合金的固溶強化相關(guān)的價電子結(jié)構(gòu)參數(shù)—固溶強化綜合判定因子，并對不同合金的判定因子進行計算。結(jié)果表明，提出的固溶強化綜合判定因子能夠解釋合金元素對基體的固溶強化效果，且與實驗結(jié)果相符。
關(guān)鍵字: Cu-Cr合金；價電子結(jié)構(gòu)；電子理論；固溶強化
（1. School of Materials Science and Engineering, Henan University of Science and Technology,Luoyang 471003, China;
2. College of Mechanical Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China;
3. Physics Department, Northwest University, Xi’an 710069, China）
Abstract:Based on the empirical electron theory in solids and molecules, the calculation models and methods of valence electron structure of the phase in Cu-Cr alloy were established. The valence electron structures of phase were calculated, and the alloying behavior of alloying elements and the solid solution strengthening behavior were explored from the valence electron structures of phase. The concept and calculation methods of solid solution strengthening factors were advanced. The results show that the solid solution strengthening factors can express the solid solution strengthening of alloying elements to matrix, which accords with the experiment.
Key words: Cu-Cr alloy; valence electron structure; electron theory; solid solution strengthening
