First-principles study of structural,electronic, and optical properties of ZnSnO3

The structural, electronic, and optical properties of ZnSnO₃ were investigated using density functional theory within the generalized gradient approximation. The structure parameters obtained agree well with the experimental results. The electronic structures indicate that ZnSnO₃ is a semiconductor with a direct band gap of 1.0 eV. The calculated optical spectra can be assigned to contributions of the interband transitions from valence band O 2p levels to conduction band Sn 5s levels or higher conduction band Zn 3d levels in the low-energy region, and from O 2p to Sn 5p or Zn 4p conduction band in the high-energy region.     

Study of shear transfer in Al/epoxy joint by digital photoelasticity

An improved six-step phase-shifting method is proposed for calculating full-field shear stress based on a four-step color phase-shifting method in digital photoelasticity. The method was verified using a disk under diametral compression and then applied to an aluminum alloy/epoxy joint for studying the shear transfer behavior. Experimental results revealed that the isochromatic fringe order and shear stress at the bonding interface are distributed continuously and increased with compression. In particular, an antisymmetric thermal residual shear stress appears at the bonding interface, because of the difference in the thermal expansion coefficients of Al and the resin. This indicates that the thermal residual shear stress at the bonding interface is self-balanced and reaches a peak at the edges of the bonding interface. The load transfer is realized by the shear band from the bonding interface to the bottom support. Basically, the bonding interfacial shear stress is balanced with the load.     

Dimeric hexakis(4‐methyl­benzoato)­bis(1,10‐phenanthroline)didyspros­ium(III)

The title compound, [Dy₂(C₈H₇O₂)₆(C₁₂H₈N₂)₂], forms binuclear complexes, viz. di‐μ‐4‐methyl­benzoato‐κ⁴O:O′‐bis[bis(4‐methyl­benzoato‐κ²O,O′)(1,10‐phenanthroline‐κ²N,N′)dyspros­ium(III)] tetra‐μ‐4‐methyl­benzoato‐κ⁸O:O′‐bis[(4‐methyl­benzoato‐κ²O,O′)(1,10‐phenanthroline‐κ²N,N′)dyspros­ium(III)]. There are two independent binuclear com­plexes in the asymmetric unit, both of which are centrosymmetric. In one, the Dy^III ions are linked by two bridging 4‐­methyl­benzoate groups, while in the other, the Dy^III ions are linked by four bridging 4‐methyl­benzoate groups. The remaining 4‐methyl­benzoate groups and 1,10‐phenanthroline units coordinate to just one metal ion in bidentate modes.     

Gallium tris­(iodate), Ga(IO3)3

Ga(IO₃)₃ crystallizes in the space group P6₃, with the Ga atom at a site with imposed threefold symmetry. The crystal structure consists of slightly distorted GaO₆ octa­hedra that are bridged by I atoms of IO₃⁻ groups, giving rise to a three‐dimensional polar network. The framework contains unoccupied hexa­gonal channels running parallel to the hexa­gonal [001] direction. The iodate groups have their stereochemically active non‐bonded electron pairs pointing in the same direction along [001], which creates the polarity in the structure. The I—O bond distances and O—I—O angles are normal, being in the ranges 1.783 (3)–1.847 (2) Å and 94.68 (11)–99.61 (12)°, respectively.     

石英玻璃低能质子辐照损伤动力学研究

地面模拟研究了JGS3光学石英玻璃在真空、热沉和能量低于200keV的低能质子辐照下表面光学性能变化的基本规律．并建立了辐照损伤色心演化的动力学唯象模型。试验结果表明．大通量低能质子辐照对石英玻璃表层具有明显的表面损伤效应。随着辐照吸收剂量的增加,光密度变化先以线性规律迅速增加．加进一步增加时逐渐呈现饱和趋势;采用较高能量辐照作用后光密度变化出现饱和趋势的拐点提前,且饱和数值降低。根据对试验结果的分析,建立了低能质子辐照下石英玻璃色心演化的动力学模型．并给出了光密度变化的表达式。采用模型结果进行数学模拟,模拟曲线与试验结果曲线相似。因此所建立的动力学模型可以用来定量描述低能质子辐照下石英玻璃光学性能随辐照吸收剂量的变化规律。     

控制液晶器件产生的程控透镜和微透镜阵列

研究了计算机程控光学器件的性能。通过对液晶空间光调制器进行电寻址控制,得到了振幅模式、二进制相位模式和连续相位模式的计算机程控透镜和程控微透镜阵列。实验结果和计算分析都表明,连续相位模式的程控透镜具有较好的聚焦性能和光效率。程控微透镜阵列的优点是阵列中的每一个微透镜都可以单独控制,可以得到所需要的阵列形式。实验给出了一个由这样的微透镜阵列产生的去掉了中心4×4阵列的8×8光斑阵列样式。还给出了利用程控透镜来方便有效地演示和研究透镜的像差方法。由计算机控制空间光调制器得到的光学器件虽然具有极大的灵活性,但是由于空间光调制器的像素的尺寸影响了它的精细程度,限制了它的应用。     

将数学建模融入高等数学教材

根据新编教材编写体会,简述了将数学建模的思想与方法融入到高等数学内容中的尝试.     

第二配体对Sm(DBM)3掺杂的PMMA样品发光的影响

分别使用phen（1,10-邻菲咯啉）、TOPO（三正辛基氧化磷）、TPPO（三苯基氧化磷）作为第二配体与Sm（DBM）3（DBM：二苯甲酰甲烷）相互作用,合成了相应的配合物,然后分别将其掺入MMA中,进行聚合得到了固体样品。测量了不同第二配体样品及无第二配体样品的激发和发射光谱,对谱峰做了指认。发射谱中主要发射峰均为Sm^3＋的特征发射,有机配体的发光带很弱,说明从有机配体到稀土发光中心的能量传递非常有效。监测Sm^3＋离子644nm发射峰（^4G5/2→^6H9/2）测量了样品的激发光谱。结果显示,第二配体的加入改变了有机配体的能级结构,激发边出现明显的移动,同时紫外区的激发效率发生了变化,对发光产生了显著的影响。还测量了上述样品中Sm^3＋的^4G5/2能级的发光衰减曲线,拟合出该能级的跃迁寿命,针对不同第二配体的情况进行了比较分析。实验结果表明,第二配体的共轭性和化学键匹配对发光强度影响很大,在我们的结果中,第二配体为TPPO时发光效率最高。     

The new polynuclear titanium(IV) complex [(Cp*TiCl)(μ‐O)2(Cp*Ti)2(μ‐O)(μ‐O)2]2Ti (Cp* is η5‐C5Me5)

A new polynuclear titanium(IV) complex, dichloro­deca‐μ₂‐oxo‐hexa­kis­(penta­methyl­cyclo­penta­dien­yl)hexa­titanium(IV), [Ti₆(C₁₀H₁₅)₆Cl₂O₁₀], has been synthesized by hydro­lysis of a titanium complex bearing an N‐(2‐hydr­oxy‐3,5‐dimethyl­benz­yl)diethano­lamine Mannich ligand. The mol­ecule has two O‐bridged Ti₃O₃ rings linked to two similar rings through a tetra­hedrally O‐coordinated Ti atom. All Ti atoms except the central one are coordinated to penta­methyl­cyclo­penta­dien­yl (Cp*) ligands. The Cp* ligands are arranged with approximate symmetry with respect to the Ti/O/Cl core.     

静电纺丝法和气流-静电纺丝法制备聚砜纳米纤维

应用电纺法制备了聚砜纳米纤维.设计了一种新型的气流静电纺丝装置,其特点是在喷丝头上添加了喷气组件.电纺过程中所用聚砜的特性粘数为0.97dLg,溶剂为二甲基乙酰胺,载气为氮气.研究了聚砜纳米纤维的平均直径与过程参数之间的关系.研究表明影响聚砜纳米纤维的平均直径的主要因素为电压、纺丝液的流速、喷丝头与收集器之间的距离、操作温度以及纺丝液的性质(如粘度、表面张力和电导率).纳米纤维的平均直径和直径分布用扫描电镜表征.应用这种气流静电纺丝法制备的纳米纤维的直径范围是50～500nm.所得纳米纤维的直径依赖于电压、喷丝头与收集器之间的距离以及喷丝液的浓度.结果表明,采用气流静电纺丝不仅能制备较细而且均匀的纳米纤维,而且产量更高.