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to decide the continuity of the electron density of the lamellar colonies interface and it is found that of γ/a2 interface is continuous(?ρ<10%). Furthermore, it is found that adding alloying elements (including Nb, Cr, and V) can improve the electron density (ρ) of γ/a2 interfaces, and decrease the electron density difference(?ρ) of γ/α2 interfaces. Adding V element decreasing ?ρ is more......
; Abstract: Based on YU’s solids and molecules emperical electron theory(EET), interface valence electron structure of TiC-Fe3Al composites was set up, and the valence electron density of different atomic states TiC and Fe3Al composites in various planes was determined. The results indicate that the electron density of is consistent with that of (110)TiC in the first-class approximation......
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was calculated. Calculation results show that the density of lattice electrons, the symmetry of distribution of covalent electron pairs and bond energy have huge influence on the stability of alloyed... and No. 7). The stability of alloyed cementite decreases gradually as being substitutional doped by W, Cr, V, Mo and Mn. Key words: valence electron structure; alloyed cementite; stability; density......
, it is found that the free electron density of the R phase is lower than that of the B2 phase; the open volume of the defects of the R phase is larger, while the concentration of these defects is lower than that of the B2 phase. The Ni50.78Ti49.22 alloy exhibits B19′ phase at 115 K. In comparison with the R phase, the free electron density of the B19′ phase increases, the open volume......
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region have been investigated. Resonantenhancements of Ce 4f valance band and Ce 5p bands for nano film and bulk materialhave been observed. The variation of electron density of states in valance bands ofnano and bulk structures of CeO2 is discussed in terms of Ce 4d-4f resonance. Key words:photoemission; resonant enhancement; valance band; electron density of state; [全文内容正在添加中] ......
effects of Fe3O4 and Nb2O5 are superior in absorption as well as desorption. Theoretically, JACOBSON et al[10] have used spin-polarized electron-density calculations to determine the diffusion of H... Density functional theory study on hydrogenation mechanism in catalyst-activated Mg(0001) surface WU Guang-xin(吴广新)1, LIU Su-xia(刘素霞)1, ZHANG Jie-yu(张捷宇)1, WU Yong-quan(吴永全)1, LI Qian(李 谦......
reveals that, Nb not only reduces the electron density of Ti atom near Fermi energy level, but also enhances the interactions between Al (s) electrons and O (p) electrons. When the Nb content is 8.33...J. Cent. South Univ. Technol. (2010) 17: 674-682 DOI: 10.1007/s11771-010-0539-8 Effect of Nb on plasticity and oxidation behavior of TiAlNb intermetallic compound by density functional theory LI......
