Bayes估计的进一步研究及其Pitman最优性

对线性模型参数,讨论了Bayes估计的Pitman最优性,将已有结果进行了改进,去掉了附加条件,证明了在Pitman准则下,Bayes估计一致优于最小二乘估计(LSE),在此基础上,提出了一种基于先验信息的方差分量估计,通过和基于LSE的方差分量估计作比较,证明了新估计是无偏估计且有更小的均方误差．最后,证明了在Pitman准则下生长曲线模型参数的Bayes估计优于最佳线性无偏估计．     

Growth Behavior of CdS Nanoparticles Embedded in Polymer and Sol-Gel Silica Matrices: Relationship with Surface-State Related Luminescence

Chemical techniques were employed to synthesize CdS nanoparticles embedded in polymer (PEG 300) and sol-gel silica matrices. Systematic growth of particles (radius 3–9 nm) was obtained by adjusting post-deposition annealing temperature and time to examine the dependence of surface-state–related luminescence on particle size. Photoluminescence (PL) peak energy showed a linear dependence with a gentle slope in the weak confinement region and a steep slope in the strong confinement region, the divergence being observed near the excitonic Bohr radius for CdS. The empirical relation proposed for the weak confinement region could be used for estimating chemically prepared CdS nanoparticle size with a high degree of reliability from PL peak energy.     

High longitudinal selectivity of shifting multiplexing in volume holograms

High longitudinal selectivity of the shifting multiplexing with spherical reference wave is proposed and demonstrated. A simplified method based on wave optics is used for calculating the selectivity, and the result fits well the experimental measurement. Under the paraxial condition, a simple formula for the longitudinal selectivity is introduced. With use of an object lens with effective NA=0.817, we obtain that an FWHM of selectivity is as small as 1 μm.     

晶体学与准晶体学点群的母子群关系

依据群论，得出了准晶体学点群的直积或半直积推导算式；依据结晶学理论，绘出了五角、八角、十角和十二角晶系各点群的极赤投影图.据此推导出了每一个准晶体学点群的全部最大子群，从而推导并绘制出了三维晶体学和准晶体学点群之间的母子群关系(60个点群的“家谱”).该“家谱”以最大子群链的图解形式直观地给出了每个点群的最小母群和最大子群. 关键词： 准晶体 晶体 点群 最大子群 最小母群 群链     

Nd∶NaR(WO_4)_2晶体生长(R=Bi,Y)

采用提拉法生长出了掺钕钨酸铋钠[Nd∶NaBi(WO4)2,简称Nd∶NBW]和掺钕钨酸钇钠[Nd∶NaY(WO4)2,简称Nd∶NYW]晶体,并给出了制备无开裂优质Nd∶NBW和Nd∶NYW晶体的最佳生长工艺参数。从XRD分析得到Nd∶NBW和Nd∶NYW晶体的晶胞参数,并分析了晶体的拉曼光谱,认为二者结构基本相同,为四方晶系、白钨矿结构、I41/a空间群。由吸收光谱可以看出,Nd∶NBW在802nm有较强的吸收峰,Nd∶NYW在804nm、752nm、586nm附近有较强、较宽的吸收峰,二者均适合于LD泵浦;计算了晶体中Nd3+的吸收截面积。     

Density functional theory investigation of the structure of SO2 and SO3 on Cu(1 1 1) and Ni(1 1 1)

Density functional theory (DFT) slab calculations, mainly using the generalised gradient approximation, have been used to investigate the minimum energy structures of molecular SO₂ and SO₃ on Cu(1 1 1) and Ni(1 1 1) surfaces. On Ni(1 1 1) the optimal local adsorption structures are in close agreement with experimental results for both molecular species obtained using the X-ray standing wavefield technique, although for adsorbed SO₂ the energetic difference between two alternative lateral positions of the lying-down molecule on the surface is marginally significant. On Cu(1 1 1) the results for adsorbed SO₂, in particular, were sensitive to the DFT functional used in the calculations, but in all cases failed to reproduce the experimentally-established preference for adsorption with the molecular plane perpendicular to the surface. This result is discussed in the context of previously published DFT results for these species adsorbed on Cu(1 0 0). The optimal geometry found for SO₃ on Cu(1 1 1) is similar to that on Ni(1 1 1), providing agreement with experiment regarding the molecular orientation but not the adsorption site.     

多层光子晶体滤波器研究

从双层结构出发研究了一种由多块不同的单周期光子晶体组合而成的多层结构的滤波器，论述了这种滤波器的工作原理，研究表明这种结构适于制作带通、窄带通过、带阻、宽带带阻、高通以及其它各种性能的滤波器。实验和理论研究的结果相一致。     

Optical spectroscopy of Yb/Er codoped NaY(WO4)2 crystal

Erbium and ytterbium codoped double tungstates NaY(WO₄)₂ crystals were prepared by using Czochralski (CZ) pulling method. The absorption spectra in the region 290-2000 nm have been recorded at room temperature. The Judd-Ofelt theory was applied to the measured values of absorption line strengths to evaluate the spontaneous emission probabilities and stimulated emission cross sections of Er³⁺ ions in NaY(WO₄)₂ crystals. Intensive green and red lights were measured when the sample were pumped by a 974 nm laser diode (LD), especially, the intensities of green upconversion luminescence are very strong. The mechanism of energy transfer from Yb³⁺ to Er³⁺ ions was analyzed. Energy transfer and nonradiative relaxation played an important role in the upconversion process. Photoexcited luminescence experiments are also fulfilled to help analyzing the transit processes of the energy levels.     

The Effect of Boundary Conditions on Gas-phase Synthesised Silver Nanoparticles

We have prepared spherical non-agglomerated silver nanoparticles by an evaporation–condensation–dilution/cooling technique. Silver was evaporated from a crucible in a tubular flow reactor. A porous tube diluter was used to quench the carrier gas at the outlet of the reactor to enhance the formation of small particles and to suppress agglomeration and other particle growth mechanisms. The number size distribution of the prepared particles was measured with a differential mobility analyser–condensation nucleus counter combination and the size and the shape of the particles were analysed with transmission electron microscope. The system was modelled using a sectional aerosol dynamics computer code to estimate the importance of different aerosol processes. In all conditions the particles obtained were non-agglomerated and spherical. The mean particle diameter varied from 4 to 10-nm depending on boundary conditions. From the modelling studies it can be concluded that the nucleation rate is the most important parameter controlling the final particle size.     

Nd:LuVO_4晶体的拉曼光谱研究

采用不同的几何配置测量了Nd:LuVO4晶体的室温拉曼光谱,根据群论对称性分类计算了该晶体的红外和拉曼活性振动模并与实验结果做了比较,指认了测定的特征谱线。测量并分析了Nd:LuVO4晶体A1g全对称类的高温拉曼光谱,讨论了拉曼频移随温度变化的关系,认为晶体的热膨胀是引起拉曼频移变化的主要原因。