摘要
采用第一性原理计算和实验研究了掺杂元素Ti、Mo和Cr对Fe/Al_(2)O_(3)界面的影响。结果表明:掺杂Ti和Mo元素在Fe/Al_(2)O_(3)界面上呈现出更明显的掺杂偏析效应,可以提高界面的结合强度,其中Ti元素掺杂后的Fe/Al_(2)O_(3)界面原子间电子轨道杂化行为更强,进而增强结合强度大于Mo和Cr元素。计算结果与实验结果相互验证,添加Ti元素能有效改善Fe/Al_(2)O_(3)复合材料表面层的润湿性,使界面的结合强度提升。
The effects of doped elements Ti, Mo and Cr on Fe/Al_(2)O_(3)interface were studied by first principles calculation and experimental study. The results show that the doping segregation effect of Ti and Mo on the Fe/Al_(2)O_(3)interface is more obvious, which can improve the interface bonding strength. The electron orbital hybridization behavior of Fe/Al_(2)O_(3)interface doped with Ti is stronger, and the enhanced bonding strength is greater than that of Mo and Cr. The results of calculation and experiment mutually verify that adding Ti element can effectively improve the wettability of the surface layer of Fe/Al_(2)O_(3)composite and enhance the interfacial bonding strength.
作者
李晨薇
张伟华
候鸣浩
高权
LI Chenwei;ZHANG Weihua;HOU Minghao;GAO Quan(School of Materials Engineering,Shanxi Polytechnic Institute,Xianyang 712000,China;School of Materials Science and Engineering,Xi'an University of Technology,Xi'an 710048,China)
出处
《热加工工艺》
北大核心
2022年第24期49-52,共4页
Hot Working Technology
基金
陕西省教育厅科学研究计划项目(22JK0265)。
