MENG Changgong;XU Dongsheng;GUO Jianging;HU Zhuangqi Institute of Metal Research; Academia Sinica; Shenyang
Cite this article:
MENG Changgong;XU Dongsheng;GUO Jianging;HU Zhuangqi Institute of Metal Research; Academia Sinica; Shenyang. BONDING CHARACTERISTIC OF Ni_3Al. Acta Metall Sin, 1993, 29(2): 8-12.
Abstract A cluster of monocrystalline Ni_3Al has been studied by the discrete variationalXα(DV-Xα) method. From the computation, the energy level structures and the densities ofelectronic states were investigated. The bond order between the constituent atoms and theircomponents have been calculated. The analysis of bond component shows that the Ni-Nibond is very similar to the Ni-Al bond. The Ll_2 structure of Ni_3Al leads these similar bondsto disperse evenly in the space. In macroscopical properties, Ni_3Al exhibits high strength. Theductility of monocrystal is due to the similarity of Ni-Ni bond to Ni-Al bond. The brittlenessof polycrystal is attributed to the weakening of directional covalent bonding at grain bounda-ry.
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(ZHANG Yingjiu; XIE Youqing; LI Weimin; TANG Renzheng; GAO Kunyuan; LU Weijie; CHEN Linghui (Central South University of Technology; Changsha 410083)(Manuscript received 1 995-07-20; in revised form 1995-12-01). EFFECTS OF TRACE Li ADDITION ON MECHANICAL PROPERTIES OF Ni_3Al[J]. 金属学报, 1996, 32(5): 479-483.
