Acta Metall Sin  1998, Vol. 34 Issue (7): 673-677    DOI:

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ELECTRONIC STRVCTURE ANALYSIS OF PRIMARY SLIP PLANES IN HEXAGONAL CLOSE-PACKED METALS

SONG Yan; YANG Rui; LI Dong; HU Zhuangqi(Institute of Metal Research; The Chinese Academy of Sciences; Shenyang 110015)

SONG Yan; YANG Rui; LI Dong; HU Zhuangqi(Institute of Metal Research; The Chinese Academy of Sciences; Shenyang 110015). ELECTRONIC STRVCTURE ANALYSIS OF PRIMARY SLIP PLANES IN HEXAGONAL CLOSE-PACKED METALS. Acta Metall Sin, 1998, 34(7): 673-677.

Abstract References Related Articles Recommended Metrics Download:  PDF(476KB)  Export:  BibTeX | EndNote (RIS)       Abstract  Based on the electronic structure theory, the electronic structure and some parameters were calculated for hop metals by using the discrete variational Xa cluster method,and the intrinsic relationship between the interaction parameters and the properties of materials was discussed. A criterion of the choice of primary slip planes for hop metals was advanced by using the electronic structure theory. The primary slip planes are (0001) for Zr, Cd, Co, Be;{1010} for Ti, Zr, Mg, and both of (0001) and {1010} for Y and Sc at low temperattire. The conclusions are in agreement with experimental observations. Key words:  electronic structure      slip      deformation      hcp metal      Received:  18 July 1998      Service E-mail this article Add to citation manager E-mail Alert RSS （） Articles by authors URL:  https://www.ams.org.cn/EN/     OR     https://www.ams.org.cn/EN/Y1998/V34/I7/673 1 Roy R B. Philos Mag, 1976, 14. 477 2 Ellis D E, Painter G S. Phys Rev, 1970; B2: 2887 3 Guenzburger D, Ellis D E. Phys Rev Lett, 1991; 67: 3832 4 Kang Y-S, Tanaka I, Adachi H, Park S J. Jpn J Appl Phys, 1996; 35: L1614 5 Xu D S, Song Y, Li D, Hu Z Q. Philos Mag, 1997; A75: 1185 6 Xu D S, Song Y, Li D, Hu Z Q. Mater Sci Egg, 1997; A234-236: 230 7 Song Y, Xu D S, Yang R, Li D, Hu Z Q. Intermetallics, 1998; 6: 157 8王志中,李向东半经验分子轨道理论与实践北京:科学出版社,1981:170 (Wang Zhizhong,Li Xiangdong Theory and Practice of Semi-Empirical Molecular Orbitals.Beijing:Sciences Press, 1981: 170)9 Averill F W Ellis D E J Chem Phys, 1973; 59: 6412 10李俊清量子化学中的Xa。方法及应用合肥:安徽科学技术出版社,1984:139 (Li Junqing. 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