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Electronic structure and properties of LaNi_5 compound from first principles

Rare Metals 2010年第4期29卷 351-354页

作者： WU Yeqiong YAN Mufu School of Materials Science and Engineering Harbin Institute of Technology Harbin 150001 China

The energy, electronic structure, and magnetic and mechanical properties of LaNi5 compound have been studied by the first-principles method based on the density functional theory. The results show that the calculated lattice parameters of LaNi5 compound are almost the same with the experimental ones, and the compound is easy to form and very stable. The bond between La and Nil atoms is an ionic bond, and electrostatic attraction effect exists between Ni atoms. The farther the distance between Ni atoms in the LaNi5 crystal cell is, the stronger the electrostatic attraction effect is. LaNi5 intermetallic compound is ductile and ferromagnetic. The calculated hardness value of LaNi5 compound is 7.04 GPa, and the calculated elastic properties are close to the experimental results.

关键词： LaNi5 mechancal properties first-pincioles electronic structure

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Microstructure and mechanical properties of Nb–Mo–ZrB_2 composites prepared by hot-pressing sintering

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International Journal of Minerals,Metallurgy and Materials 2018年第7期25卷 824-831页

作者： Yuan Gao Zong-de Liu Qi Wang Yong-tian Wang Key Laboratory of Condition Monitoring and Control for Power Plant Equipment of Ministry of Education North China Electric Power UniversityBeijing 102206China

Nb-Mo-ZrB2 composites （V（Nb）/V（Mo） = 1） with 15v01% or 30v01% of ZrB2 were fabricated by hot-pressing sintering at 2000~C The phases, microstxucture, and mechamcal properties were then investigated. The composites contain Nb-Mo solid solution （denoted as （Nb, Mo）ss hereafter）, ZrB, MoB, and NbB phases. Compressive strength test results suggest that the strength of Nb-Mo-ZrB2 composites increases with increasing ZrB2 content; Nb-Mo-30vol%ZrB2 had the highest compressive strength （1905.1 MPa）. The improvement in the compressive strength of the Nb-Mo-ZrB2 composites is mainly attributed to the secondary phase strengthening oftke stiffer ZrB phase, sol- id-solution strengthening oftke （Nb, Mo）ss matrix as well as fme-grain strengtkening. The fracture toughness decreases with increasing ZrB2 content. Finally, the fracture modes oftke Nb-Mo-ZrB2 composites axe also discussed in detail.

关键词： metal-matrix composites microstJ-ucture mechancal properties sintering

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