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新型超硬材料理论设计方法简介及展望 被引量:3

Theoretical design methods of new-type superhard materials:brief introduction and prospect
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摘要 对超硬材料的研究,无论从实验上还是从理论上,至今仍是一个热门的课题.最近,基于过渡金属和B,C及N元素来设计超硬材料,引起了人们广泛的研究兴趣.本文在简要介绍超硬材料研究现状和理论研究方法的基础上,以具体实例探讨了运用这个思想设计超硬材料的方法.最后,对这类新型超硬材料设计结果给以评价和总结. To search and design the new-type superhard materials remain current hot topic of material science fields experimentally and theoretically. Recently,a new design principle is suggested to synthesize superhard materials by combining small,light covalent elements with large,electron-rich transition metals. Firstly,research progress and theoretical research method on the new-type superhard materials are introduced. Then,its theoretical design method is presented by an example. Finally,the existing problems and comments on future development are put forward.
作者 李延龄
出处 《徐州师范大学学报(自然科学版)》 CAS 2010年第3期1-11,共11页 Journal of Xuzhou Normal University(Natural Science Edition)
基金 徐州师范大学博士启动项目(09XLR06)
关键词 弹性模量 硬度 不可压缩性 声子谱 第一性原理 elastic modulus hardness incompressibility phonon spectrum first-principle
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