原子与分子物理学报2024，Vol.41Issue(5)：159-168,10.DOI:10.19855/j.1000-0364.2024.056006
基于第一性原理的Si/SiC、Al/SiC界面成键特性和结合强度对比研究
Comparative study on bonding characteristics and bonding strengths of Si/SiC and Al/SiC interfaces based on first principles
摘要
Abstract
AlSi7-SiC composite was prepared by semi-solid stirring casting,and its near-net shape forming was achieved by vacuum die casting.The influence of eutectic Si segregation on the interface strength of SiC-Al composite was studied by the first principles calculation method.The results shown that a mass of eutectic Si seg-regation was found in the matrix of the prepared AlSi7-SiC composites and three typical interfaces were formed:mixed up with a few eutectic Si,a half trapped in eutectic Si and completely trapped in eutectic Si.The calcula-tion results shown that the Si/SiC interface with C-terminated and Si-terminated,the topSi1 coordination mode has the largest adhesion work after relaxation.The interface bonding strength of the Si/SiC interface is greater than that of the Al/SiC interface.Compared with the Al/SiC interface,the Si/SiC interface had a better stability of interface structure attributed to the strong covalent bond formed at the Si/SiC interface and the segregated Si phase improved the interfacial charge density.关键词
SiC-Al基复合材料/元素偏析/第一性原理/界面性能Key words
SiC Al matrix composites/Element segregation/First principles/Interfacial performance分类
信息技术与安全科学引用本文复制引用
肖鹏,胡启耀,邓昀麒..基于第一性原理的Si/SiC、Al/SiC界面成键特性和结合强度对比研究[J].原子与分子物理学报,2024,41(5):159-168,10.基金项目
江西省自然科学基金(20192BAB20003) （20192BAB20003）
江西省金属材料微观结构控制重点实验室开放基金(EJ201903061) （EJ201903061）
校级"课程思政"示范课程建设经费(SZ22118) （SZ22118）
校级教改课题(JY21026) （JY21026）
