摘要
为了改善金属间化合物的性能通常采用合金化方法,而合金元素能否添加取决于合金化后体系能量是否降低。文中采用Miedema理论与几何外推模型相结合,综合考虑原子尺寸差异引起的弹性畸变能,计算了(Fe-Al)-TM(TM=Transition Metals)体系中Fe Al-TM和Fe3Al-TM金属间化合物的形成焓。结果表明:计算值与文献结果符合较好。其中,第1B、4B、5B、7B和8B族过渡元素都较容易替代Fe添加进(Fe-Al)-TM合金中,而替代Al则比较困难,Sc、Y、La添加较容易形成合金化。计算结果可为设计制备(Fe-Al)-TM合金体系和改善金属间化合物的脆性提供重要的热力学依据。
Addition of alloying element is a useful method to improve the brittleness of intermetallics. The formation enthalpy of alloyed intermetallics is very important for the stability of intermetallics and the process of alloying. In this paper,the formation enthalpies of（ Fe-Al）-TM（ TM=Transition Metals） have been calculated with Miedema＇s theory and the geometric model. The calculated results are in agreement with experimental results,indicating that the stability of（ Fe-Al）-TM is improved by substituting Fe with TM,while the substituting Al decreases the stability,and the addition of Sc,La and Y is benefit to stabilize the Fe-Al intermetallics. The results can provide an important thermodynamic basis for the design of（ Fe-Al）-TM alloys and the brittleness improvement of Fe-Al intermetallics.
出处
《广西大学学报（自然科学版）》
CAS
北大核心
2017年第6期2097-2105,共9页
Journal of Guangxi University（Natural Science Edition）
基金
国家自然科学基金项资助目(11464001)
广西自然科学基金资助项目(2014GXNSFAA118308
2016GXNSFBA380166)
2017广西高校中青年教师基础能力提升项目(2017KY1472)
