| Mo改善TiC/Fe金属陶瓷界面润湿机理的价电子理论分析 |
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| 引用本文： | 徐文武,邹正光,吴一,龙飞,姚东野. Mo改善TiC/Fe金属陶瓷界面润湿机理的价电子理论分析[J]. 硬质合金, 2007, 24(2): 70-73 |
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| 作者姓名： | 徐文武 邹正光 吴一 龙飞 姚东野 |
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| 作者单位： | 桂林工学院有色金属材料加工及新技术教育部重点实验室,广西,桂林,541004 |
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| 基金项目： | 国家自然科学基金;广西自然科学基金 |
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| 摘 要： | 本文以固体与分子经验电子理论(EET)为基础,通过建立添加Mo的TiC/Fe金属陶瓷复合材料的结构模型,计算了Mo的添加对TiC颗粒的包覆相(Ti1-xMox)C价电子结构以及陶瓷相/α-Fe相界面价电子结构的影响。结果发现:Mo的加入使陶瓷相的最强共价键nA增强、陶瓷相与α-Fe相之间界面电子密度增加,有利于α-Fe相对陶瓷相的润湿改善,初步分析了这种微观电子结构的变化与宏观润湿性之间的关系。
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| 关 键 词： | TiC/Fe金属陶瓷 价电子结构 界面电子密度 EET |
Analysis of the Improvement of TiC/Fe Interfacial Wettability Mechanism by Valence Electron Theory |
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| Xu Wenwu,Zou Zhengguang,Wu Yi,Long Fei,Yao Dongye. Analysis of the Improvement of TiC/Fe Interfacial Wettability Mechanism by Valence Electron Theory[J]. Cemented Carbide, 2007, 24(2): 70-73 |
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| Authors: | Xu Wenwu Zou Zhengguang Wu Yi Long Fei Yao Dongye |
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| Abstract: | Based on the Empirical Electron Theory (EET) of solids and molecules, and through building the structure model of TiC/Fe cermets which adding Mo, the valence electron structure(VES) of the rim phase―(Ti1-xMox)C and the interface valence electron structure between ceramic phases and α-Fe were calculated. The results indicated that the covalent electrons on the strongest bond in ceramic phases (nA) and the interface electron density between ceramic phases and α-Fe in TiC/Fe cermets which adding Mo increased, the wettability of α-Fe on ceramic phases0 was improved, and the relationship between this change of the microcosmic electron structure and macroscopical wettability was analysed. |
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| Keywords: | EET |
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