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The crystal structure, electronic structure and hydrogen site occupancy of LaNi4.5Al0.5Hy intermediate phase (y=2.0, 3.0, 4.0) have been investigated using the full-potential linearized augmented plane wave (FLAPW) method. For the first time we analyzed the interstitial site occupation of hydrogen atoms. The H atoms were found to prefer the 6m, 3f and 12n sites, while no 4h sites were occupied. A narrowed Ni-d band is found due to the lattice expansion: the total DOS at EF increases with y, which indicates that the compounds become less stable. The interaction between Al and Ni, with H plays a dominant role in the stability of LaNi4.5Al0.5Hy intermediate phase. The smaller the shift of EF towards the higher energy region, the more stable the compounds will be. Our results are compared with experimental data and discussed in the light of previous works. 相似文献
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Defeng Wu Yisheng Zhang Lijuan Yuan Ming Zhang Weidong Zhou 《Journal of Polymer Science.Polymer Physics》2010,48(7):756-765
Poly(ε‐caprolactone)/polylactide blend (PCL/PLA) is an interesting biomaterial because the two component polymers show good complementarity in their physical properties. However, PCL and PLA are incompatible thermodynamically and hence the interfacial properties act as the important roles controlling the final properties of their blends. Thus, in this work, the PCL/PLA blends were prepared by melt mixing using the block copolymers as compatibilizer for the studies of interfacial properties. Several rheological methods and viscoelastic models were used to establish the relations between improved phase morphologies and interfacial properties. The results show that the interfacial behaviors of the PCL/PLA blends highly depend on the interface‐located copolymers. The presence of copolymers reduces the interfacial tension and emulsified the phase interface, leading to stabilization of the interface and retarding both the shape relaxation and the elastic interface relaxation. As a result, besides the relaxation of matrices (τm) and the shape relaxation of the dispersed PLA phase (τF), a new relaxation behavior (τβ), which is attribute to the relaxation of Marangoni stresses tangential to the interface between dispersed PLA phase and matrix PCL, is observed on the compatibilized blends. In contrast to that of the diblock copolymers, the triblock copolymers show higher emulsifying level. However, both can improve the overall interfacial properties and enhance the mechanical strength of the PCL/PLA blends as a result. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 756–765, 2010 相似文献
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Chen Lijuan 《Annals of Differential Equations》2008,(4):379-386
In this paper, a set of sufficient conditions which ensure the permanence of a periodic predator-prey system with dispersal and general Holling type functional response are obtained. Our results generalize some known results. 相似文献
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近几年来,原子核核内的$\alpha$ 团簇结构引起了人们的广泛关注。本工作的目的是讨论在费米能区下重离子碰撞的碎片产额分布是否可以作为研究轻核中$\alpha$ 团簇结构的工具。本文基于扩展的量子分子动力学输运模型(EMQD)模拟了16O具有4种不同的初始化$\alpha$ 构型(长链型、风筝型、四方型以及正四面体型)的16O+16O反应,通过观察碎片产额多重数分布情况研究了具有不同结构的团簇核的核反应。计算结果表明,碰撞后产生的自由质子及4He的产额受不同构型的影响明显,表明4He/proton可以作为团簇结构的一个表征量。此外,自由质子及4He的出射$\theta$ 和$\phi$ 角及动能能谱可以用来提取16O的$\alpha$ 团簇构型信息。 相似文献
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Microchimica Acta - The authors describe an aptamer based fluorometric assay for the determination of ATP. It is based on deoxyribonuclease I-aided target recycling and signal amplification. The... 相似文献