利用改进计算的含溶质晶胞的点阵常数对Cu-Cr晶胞的相空间价电子结构进行计算,并在此基础上定义了表征合金相性能的相结构因子nN、F、nA和ρLv。计算结果表明：合金元素Cr的溶入后,Cu-Cr混合晶胞的nN和F为3413和55.7268,相比纯铜晶胞有了极大幅度的极高,从而使合金的稳定性大大增强;同时最强键共用电子对数nA由0.3754增加至0.4912,大大强化了铜基体;但表征合金导电性的ρLv有所下降。计算结果及理论分析与实际相吻合,从而从价电子结构层次解释了合金宏观层面所表现出的性能。
Using the the improved lattice constant of solid solution,the valence electron structure of Cu-Cr cell was calculated,and the phase structure factors of nN,F,nA and ρLv were defined based on the valence electron structure.With the addition of Cr,the phase structure factors nN and F of Cu-Cr cell are 3413 and 55.7268,respectively,which increases greatly compared with those of copper cell,and the stability of the alloy is enhanced.nA is increased from 0.3754 to 0.4912 due to the addition of Cr,which greatly strengthens copper matrix.But the addition of Cr makes ρLv decrease and damage for conductivity of the alloy.The calculated results and theoretical analysis are consistent with the experiment,and the properties of copper alloy are explained by the electron structure.
参考文献
| [1] | 张蕾,陈敬超,于杰.Cu-Cr合金GP区价电子结构分析[J].稀有金属与硬质合金,2006(04):28-31. |
| [2] | Holzwarth U.;Stamm H. .The precipitation behaviour of ITER-grade Cu-Cr-Zr alloy after simulating the thermal cycle of hot isostatic pressing[J].Journal of Nuclear Materials: Materials Aspects of Fission and Fusion,2000(1):31-45. |
| [3] | S. G. Jia;M. S. Zheng;P. Liu;F. Z. Ren;B. H. Tian;G. S. Zhou;H. F. Lou .Aging properties studies in a Cu-Ag-Cr Alloy[J].Materials Science & Engineering, A. Structural Materials: Properties, Misrostructure and Processing,2006(1/2):8-11. |
| [4] | 贾淑果,刘平,郑茂盛,任凤章,田保红,周根树.铜合金固溶强化的电子理论解释[J].中国有色金属学报,2008(08):1522-1526. |
| [5] | 李飞,赵侠,李鑫,金玉华.Cu-Zn合金固溶体的价电子结构分析[J].兵器材料科学与工程,2009(06):23-26. |
| [6] | 任伟,贾淑果,刘平,田保红.Cu-Ni-Si合金的价电子结构分析[J].河南科技大学学报（自然科学版）,2010(01):9-11,15. |
| [7] | 余瑞璜 .固体与分子经验电子理论[J].科学通报,1978,23(04):217-224. |
| [8] | 贾淑果,卞华康,刘平,李香丽,吴卷,郑茂盛.Cu-Cr合金固溶体的电子理论分析[J].兵器材料科学与工程,2008(05):14-17. |
| [9] | 张瑞林.固体与分子经验电子理论[M].长春:吉林科学技术出版社,1993:225-427. |
| [10] | 孙振国,瞿晓剑,顾琳.固溶体的价电子结构与固溶强化[J].材料科学与工艺,2005(05):474-476,480. |
| [11] | 刘志林;李志林;刘伟东.界面电子结构与界面性能[M].北京:科学出版社,2002:14-99. |
| [12] | 刘伟东,刘志林,屈华.合金γ-TiAl价电子结构的计算及其力学性能[J].稀有金属材料与工程,2003(11):902-906. |
| [13] | 徐长征,王娟,黄美权,张雅妮,郑茂盛,朱杰武,周根树.冷变形Cu-0.36Cr（wt%）合金的抗软化性能和再结晶行为[J].金属热处理,2007(05):38-42. |
| [14] | 彭可,易茂中,冉丽萍.MoSi2和WSi2的价电子结构及性能分析[J].金属学报,2006(11):1125-1129. |
- 下载量()
- 访问量()
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%