摘要
针对选区激光熔化制备SiC/Al基复合材料中形成的Al/Al_(4)SiC_(4)界面,采用第一性原理计算方法,建立了12种Al/Al_(4)SiC_(4)界面结构模型,研究了Al/Al_(4)SiC_(4)界面结构的粘附功与电子性质。结果表明,几何优化后,C(Al)终端和Al终端界面润湿性较好。其中,Al终端心位界面的粘附功为7.32 J/m^(2),界面间距为0.227 nm,说明此结构具有强界面特征。这意味着Al/Al_(4)SiC_(4)界面更倾向于形成Al终端心位界面结构。在Al终端心位和孔位界面结构中,界面两侧键合方式主要为金属键和离子键。而在C(Al)终端心位和孔位界面结构中,界面两侧键合方式主要为共价键和离子键。
Aiming at the Al/Al_(4)SiC_(4)interface formed in SiC/Al matrix composites prepared by selective laser melting,12 models of Al/Al_(4)SiC_(4)interface structure were established using first-principles calculation method,and the adhesion work and electronic properties of the Al/Al_(4)SiC_(4)interface structure were studied.The results show that after geometric optimization,the wettability of the C(Al)terminal and Al terminal interface is better.Among them,the adhesion work of the Al terminal center interface is 7.32 J/m^(2),and the interface spacing is 0.227 nm,indicating that this structure has strong interface characteristics.This means that the Al/Al_(4)SiC_(4)interface tends to form an Al terminal center interface structure.In the center-sited and the hollow-sited interface structure of the Al terminal,the bonding modes on both sides of the interface are mainly metallic bonds and ionic bonds.However,in the center-sited and the hollow-sited interface structure of C(Al)terminal,the bonding modes on both sides of the interface are mainly covalent bonds and ionic bonds.
作者
李岩
马志鹏
郝辉南
朱永坤
LI Yan;MA Zhi-peng;HAO Hui-nan;ZHU Yong-kun(School of Mechanical Science and Engineering,Northeast Petroleum University,Daqing 163318,China;School of Materials Science and Engineering,Heilongjiang University of Science and Technology,Harbin 150020,China)
出处
《材料热处理学报》
CAS
CSCD
北大核心
2024年第6期155-164,共10页
Transactions of Materials and Heat Treatment
基金
国家自然科学基金(51674090)。
