李岩,马志鹏,郝辉南,朱永坤

• 1:东北石油大学机械科学与工程学院
• 2:黑龙江科技大学材料科学与工程学院

摘要(Abstract)：

针对选区激光熔化制备SiC/Al基复合材料中形成的Al/Al_4SiC_4界面，采用第一性原理计算方法，建立了12种Al/Al_4SiC_4界面结构模型，研究了Al/Al_4SiC_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_4SiC_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。

关键词(KeyWords)： Al/Al_4SiC_4界面;电子结构;第一性原理;界面性质

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金(51674090)

作者(Author): 李岩,马志鹏,郝辉南,朱永坤

DOI: 10.13289/j.issn.1009-6264.2023-0564

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