A Study of Interface Property of Fe/WC Composites both from ab initio Calculations and Experiments

摘要：

　　The adhesion, stability, electronic structure, and bonding of Fe/WC interfaces were studied using first-principles calculations.The pre ferred stacking sequence is HCP structure that Fe atoms continue the natural stacking sequence of the bulk TiB2.The work of adhesion of the Fe/WC in terfaces are 9.7 J· m-2 for C-HCP and 5.1 J· m-2 for W-HCP, respectively.The effects of the interface on the electronic structures of both the metal Fe and ceramic WC are mainly localized with in the first and second layers of the interface.C HCP interface has strong covalency and W-HCP interface is dominated by metallic bonds.Calcula tions of the interfacial energies provide theoretical evidence that the excellent interface bonding strength of Fe/WC composites belongs to C-termination HCP structure.Besides, the WC/Fe composite are prepared and discussed based on the calculation re suits by carburizing process and infiltration casting process.

关键词： composite electronic structure interface tungsten carbides

作者: Yefei Li Yimin Gao Yonghong Cheng Zhifu Huang Shuzeng Hou Shuli Tang Shengqiang Ma

作者单位: State Key Laboratory for Mechanical Behavior of Meterials,Xian Jiaotong University,28 Xianning West State Key Laboratory of Elecric Insulation and Power Equipment,Xian Jiaotong University,28 Xianning

会议类型: 国际会议

会议名称: The 12th China-Russia Symposium on Advanced Materials and Technologies(第十二届中俄双边新材料新工艺国际会议)

会议地点: 昆明

会议语种:英文

页码: 503-507

在线出版日期: 2013-11-19（万方平台首次上网日期，不代表论文的发表时间）