| (Ti,Mo,W,Ta,V,Nb)(C,N)多元陶瓷相的价电子结构 |
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| 引用本文： | 许育东,刘宁,石敏,陈名海.(Ti,Mo,W,Ta,V,Nb)(C,N)多元陶瓷相的价电子结构[J].硅酸盐通报,2005,24(2):8-12. |
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| 作者姓名： | 许育东 刘宁 石敏 陈名海 |
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| 作者单位： | 合肥工业大学材料科学与工程学院,合肥,230009 |
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| 基金项目： | 国家自然科学基金项目(50072003);安徽省自然科学基金项目(03044902);合肥工业大学科研发展基金项目(030301F). |
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| 摘 要： | 运用固体与分子经验电子理论(EET理论)计算了(Ti,Mo,W,Ta,V,Nb)(C,N)多元陶瓷相的价电子结构.结果表明,价电子结构参数(nA)随碳化物添加量的增加而增加.不同碳化物对价电子结构参数的影响不同,其中VC的影响最为显著.价电子结构参数(nA)可以用来评价金属陶瓷的力学性能,提出了相关的判据关系式.
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| 关 键 词： | 价电子结构 多元陶瓷相 碳化物 力学性能 |
Valence Electron Structure (VES) of (Ti, Mo, W, Ta, V,Nb)(C, N) Ceramic Multiphase in Cermets |
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| Xu Yudong,Liu Ning,Shi Min,Chen Minghai.Valence Electron Structure (VES) of (Ti, Mo, W, Ta, V,Nb)(C, N) Ceramic Multiphase in Cermets[J].Bulletin of the Chinese Ceramic Society,2005,24(2):8-12. |
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| Authors: | Xu Yudong Liu Ning Shi Min Chen Minghai |
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| Abstract: | Empirical Electron Theory (EET) for Solids and Molecules was utilized to calculate the valence electron structure (VES) of (Ti,Mo,W,Ta,V,Nb)(C,N) ceramic multiphase in cermets. VES calculation reveals that VES parameters including nA (covalence electron pair on the strongest bond) increase markedly with a increase of various carbides addition such as TaC,VC and NbC. Definitely, different carbide plays a different role in the VES of ceramic multiphase in cermets, and the role of VC is most significant among the carbides added. It is also deduced from EET calculations and relevant literatures that several criteria were put forward to evaluate the mechanical properties of Ti(C,N) based cermets materials by using certain VES parameters including nA. |
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| Keywords: | valence electron structure ceramic multiphase carbides mechanical properties |
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