从结构电算谈设计概念

使用计算机进行结构设计虽然能大大减轻计算工作量，但不能取代人的设计概念，只有在设计人员具备较全面的设计概念；有一定设计经验；同时深入了解程度的情况下，才能确保工程设计的质量。     

Orbital-selective Mott-insulator transition in Ca 2 - x Sr x RuO 4

The electronic structures of the metallic and insulating phases of the alloy series Ca_2-xSr_xRuO₄ ( 0 ? x ? 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x = 0) and a good metal (x = 2). For x > 0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S = 1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2 < x < 0.5 we propose a state with partial orbital and spin ordering. An effective model for the localized orbital and spin degrees of freedom is discussed. The metal-insulator transition at x = 0.2 is attributed to a switch in the orbital occupation associated with a structural change of the crystal. Received 27 July 2001     

Monte Carlo simulation of grain growth in polycrystalline materials

Understanding the kinetics of grain growth, under the influence of second phase (such as impurities, voids and bubbles) is fundamental to advances in the control of microstructural evolution. As a precursor to this objective, we have investigated the grain growth kinetics in a polycrystalline material using a standard Q-state Potts’ model under Monte Carlo settings. Based on physical reasoning, new modifications are suggested to circumvent some of the disadvantages in the basic Potts model. The efficacy of these modifications vis-à-vis the basic model is verified. The influence of second phase particles on the impurity loaded grain boundaries is investigated for the study of grain growth kinetics.     

分子束外延生长赝配高电子迁移率超高速微结构功能材料里深中心识别

应用深能级瞬态谱(DLTS)技术研究分子束外延(MBE)生长的highelectronmobilitytransistors(HEMT)和Pseudomorphichighelectronmobilitytransistors(PHEMT)结构深中心行为.样品的DLTS谱表明,在HEMT和PHEMT结构的nAlGaAs层里存在着较大浓度(1015-1017cm-3)和俘获截面(10-16cm2)的近禁带中部电子陷阱.它们可能与AlGaAs层的氧含量有关.同时还观察到PHEMT结构晶格不匹配的AlGaAsInGaAsGaAs系统在AlGaAs里产生的应力引起DX中心(与硅有关)能级位置的有序移动.其移动量可作为应力大小的一个判据,表明DLTS技术是定性识别此应力的可靠和简便的工具. 关键词： 分子束外延生长 高电子迁移率超高速微结构功能材料 深中心     

用超磁致伸缩调谐光纤光栅的光分/插复用器

提出并研究了一种新型多信道切换的全光分/插复用器,它主要由光纤Bragg光栅(FBG)和一对光环行器组成.采用了一种高效的超磁致伸缩材料(GMM)使FBG产生有效的Bragg波长偏移.用控制电流来调控FBG的应变和Bragg波长偏移.用4只相同的FBG与波长叠加技术相结合,可建立能提供15种不同下路信道方式的OADM.     

Nuclear forward scattering vs. conventional Mössbauer studies of atomically tailored Eu-based materials

With the decrease in size of devices, rapid characterization of nano-devices is an inevitable necessity. It is shown that Mössbauer spectroscopy using synchrotron radiation from the advanced photon source provides such a tool of investigation. Results are presented and compared for conventional Mössbauer and Nuclear Forward Scattering for ¹⁵¹Eu-doped magnesium sulfide as an example, especially at low concentrations.     

Activity of TiO2 deposited by the CVD method on ammoxidized surface of a carbonaceous material in hydrogenation of styrene

Hydrogenation of styrene has been applied as a test reaction to study the catalytic activity of TiO₂ deposited by the CVD (chemical vapour deposition) method on the surface of a carbonaceous material enriched in nitrogen (C_N).     

Synthesis and characterization of novel perfluorinated polyimides with 3D‐controlled structures for photonic applications

We have designed and synthesized novel perfluorinated polyimides with 3D controlled structure. At first, we successfully developed the new synthetic routes to diamines with pendant bulky perfluorinated aromatic units in a multi‐step synthetic procedure. Novel perfluorinated polyimides were prepared in a two‐step reaction in N‐methyl‐2‐pyrrolidinone (NMP) solution: The first step was for the synthesis of polyamic acids (PAAs) and the second reaction was for the imidization of PAA. The polymer yield was over 89% and the inherent viscosity of PAAs was in the range of 0.24–0.36 dL/g. The thin films were prepared by spin‐coating the PAA solution in NMP onto various substrates such as a Si wafer or a KBr pellet, dried at 80 °C and further cured at 230 °C. The resultant polyimides are thermally stable over 400 °C. The refractive index and birefringence of the resultant polyimides are 1.5858–1.6452 and 0.01–0.005, respectively. The refractive index of polyimide decreases with increasing the fluorine content. The copolymerization and the ether linkages into the backbone reduce the birefringence of polyimides. Surprisingly, the pendant ether linkage is not a crucial factor in reducing the polyimide birefringence. Their birefringence is comparatively very low, compared with that of previous polyimides. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 1326–1342, 2006