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HfC1-xNx固溶体的价电子结构与性能
  • 期刊名称：稀有金属材料与工程, 2007, 36(4): 569-572
  • 时间：0
  • 分类：TG148[金属学及工艺—金属材料;一般工业技术—材料科学与工程;金属学及工艺—金属学] O641[理学—物理化学;理学—化学]
  • 作者机构：[1]哈尔滨工业大学,黑龙江哈尔滨150001
  • 相关基金：国家自然科学基金重点项目（90505015）
  • 相关项目：非烧蚀防热机理与材料的设计、制备和表征
关键词： HfC1-xNx固溶体, EET理论, BLD, 价电子结构, 性能, HfC1-xNx solid solution, EET theory, BLD, valence electron structure, properties
中文摘要：

为了预测HfC1-xNx固溶体的性能，根据固体与分子经验电子理论（EET），对这类固溶体相进行了价电子结构分析，并分别与HfC，HfN基体进行比较。结果表明，HfC与HfN相互溶入后，非金属原子的杂阶保持不变，而Hf原子的杂阶从B11逐渐上升到B16；随着x值的增加，最强键上共价电子数、最强键键能、熔点都是逐渐下降，而共价电子总数百分比逐渐上升，表明固溶体的硬度、韧性、结合能、熔点逐渐减小，而强度却增加。

英文摘要：

To forecast the properties of the HfC1-xNx solid solutions, their valence electron structures were analyzed and compared with those of the HfC and HfN matrix on the base of the empirical electron theory （EET） of solids and molecules. The results showed that, when the HfC and HfN dissolved each other, the step numbers of two nonmetallic atoms （C and N） were invariable, and the step number of Hf element increased form Bll to B16. With the x value increasing, the covalent electron amount and the bond energy on the strongest bond and the melting point, all dropped gradually, while the percentage of total covalent bond number increased, indicating that the hardness, bond energy, melting point and toughness decreased, and the strength increased.

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