同轴相移数字全息中相移角的选取及相移误差的消除

基于两步同轴相移数字全息,首先从理论上分析了记录时不同相移角的选取及相移误差对再现像的影响,并给出了一种利用再现像所有抽样点的强度偏差之和作为评价标准,通过逐步改变理论设定相移角值来寻找实际相移角的相移误差消除新方法;其次对二步相移数字全息中记录时参考光波最佳相移角的选取作了计算机模拟,发现只有将参考光波的相移角选择在一定范围内,再现像的噪声较小;最后利用计算机模拟了相移误差消除,验证了所提方法的可行性.     

二次阳极氧化方法制备有序多孔氧化铝膜

通过二次阳极氧化方法制备多孔氧化铝膜与一次阳极氧化方法制备多孔氧化铝膜孔排布规律性的对比 ,结果发现 ,二次阳极氧化方法制取的多孔氧化铝膜孔排布规律性明显好于一次阳极氧化法制取的多孔膜 .在几个微米范围内 ,孔呈理想的六角排布 .去除一次阳极氧化膜后 ,二次阳极氧化得以在更良好的表面进行 ,制取的氧化铝膜孔规律性和有序度更高 .有序区域的尺寸与晶粒内的亚晶大小有一定关系     

Thermokinetic analysis of two-step curing reactions in melt: Part I. Investigation of low molecular model systems

Kinetic investigations of thermo-controlled two-step reactions between an uretdione cross-linker and OH-groups are undertaken. Non-isothermal DSC measurements are chosen for the determination of the kinetic parameters (E, A, n) using of THERMOKINETICS software. The system can be described very accurately with a four-step kinetic model of consecutive reactions. On the basis of the kinetic model and parameters the realization of the first reaction step, which is the formation of the allophanate network is simulated. Finally, the result of the calculated progress of the reaction is evaluated by FT-IR and isothermal DSC measurements.     

Topology optimization of 3D shell structures with porous infill

This paper presents a 3D topology optimization approach for designing shell structures with a porous or void interior. It is shown that the resulting structures are significantly more robust towards load perturbations than completely solid structures optimized under the same condi-tions. The study indicates that the potential benefit of using porous structures is higher for lower total volume fractions. Compared to earlier work dealing with 2D topology opti-mization, we found several new effects in 3D problems. Most notably, the opportunity for designing closed shells signifi-cantly improves the performance of porous structures due to the sandwich effect. Furthermore, the paper introduces improved filter boundary conditions to ensure a completely uniform coating thickness at the design domain boundary.     

Facile preparation of MgAl2O4/CeO2/Mn3O4 heterojunction photocatalyst and enhanced photocatalytic activity

Novel Mn₃O₄-promoted double p?n junction MgAl₂O₄/CeO₂/Mn₃O₄ heterojunction photocatalyst was constructed by one-step synthesis method and two-step synthesis method. The X-ray powder diffraction, Fourier transform infrared spectrum, X-ray photoelectron spectroscopy, optical and photoluminescence demonstrated that the MgAl₂O₄/CeO₂/Mn₃O₄ heterojunction photocatalyst was synthesized by the two-step synthesis method comprehends a high crystallinity, charge carrier migration and separation efficiency, and relatively low optical absorption coefficient. The MgAl₂O₄/CeO₂/Mn₃O₄ heterojunction photocatalysts were efficiently used as simulated sunlight-driven n-n and p-n double junction photocatalyst for the simultaneous degradation of methylene blue (MB) dye. The continuous double p?n junction MgAl₂O₄/CeO₂/Mn₃O₄ heterojunctions strengthened the function of single n-n or p-n junction and guided the charge carrier migration and separation direction; thus, the oxidation and reduction reactions occur at the active site of spatial separation and prevent the recombination of electrons and holes. The results suggest that the continuous double p?n junction MgAl₂O₄/CeO₂/Mn₃O₄ heterojunctions are very promising candidate material for enhancing the photocatalytic activity in the photocatalytic degradation of MB dye.     

催化剂筛选：火山型曲线成因理论解析及其在多相催化中的应用

多相催化对于现代社会来说具有极其重要的意义,催化剂的理性设计/筛选是现代催化化学研究者的一个重要的目标。其中,火山型曲线是一个的重要工具。它指出对于一个催化反应来说,其催化活性针对关键物种吸附能来说呈一条先上升后下降的曲线,要求最佳催化剂对中间体的吸附能不能太高也不能太低。近几十年来,密度泛函理论等第一性原理计算方法的发展让许多催化剂表面反应微观物理量的计算成为了可能,这极大地拓展了火山型曲线的应用范围。 然而,对于火山型曲线根源的解释,人们却并非了解得十分清楚;一些基本科学概念的理解很多还是基于经验性的Sabatier原理：吸附太弱不利于吸附、太强不利于脱附。针对该问题的科学解析,本文进行了详细的动力学探究,试图以完全数学解析的方式回答催化反应中火山型曲线的必然存在性、产生根源及在催化活性预测中的内涵。本文采用了两步催化模型以及微动力学来进行速率方程的推导,并考虑BEP关系(基元反应的能垒与其反应焓存在线性关系)的应用,最终将整体反应速率转化为中间体吸附能相关的单值函数。基于对该函数的系列推导和分析,得到如下基本结论：(1)从数学上以一个完全的解析形式证明了催化反应中火山型曲线的存在。(2)通过对比催化反应与与之对应的气相反应,我们证明了：若无催化剂参与反应,则火山型曲线不会产生;由于催化剂表面的参与,随着催化剂吸附能力的增强,其表面会因为吸附作用而被占据毒化,导致反应速率存在一个最大值,即形成火山型曲线。从概念上讲,火山型曲线的根源是由“吸附过程引发表面活性位占据”这一自毒化效应造成的,它的存在可能体现为多相催化的基本属性。(3)数值模拟解析展示了表面反应与气相反应的区别,印证了我们的数学解析结论。同时,通过一定的简化,我们对火山型曲线中各部分的斜率进行了研究。结果发现,对于吸附决速过程,催化反应和气相反应斜率相同,其差别主要出现在脱附决速过程。在此阶段由于吸附能过大,表面被毒化,表面反应速率开始下降;而气相反应的速率依然上升。(4)表面反应速率方程的分解和简化结果表明,最佳催化剂在反应中的空活性位点覆盖度和其BEP关系的斜率存在内在关联关系(θ*opt=1–α),据此讨论了其在催化剂寻优过程中的意义。尝试解释了(a)合成氨反应中正逆反应所需最佳催化剂不同的现象;(b)合成氨或CO甲烷化反应最佳催化剂为前过渡金属、而CO/NO氧化等为后过渡金属这一典型催化现象的物理图像。最后,针对火山型曲线理论框架在实际催化剂理论筛选寻优中的应用,我们简要综述了本课题组近年来在光解水制氢Pt基助催化剂和染料敏化太阳能电池的对电极材料设计方面的理论进展。     

超低密度SiO2气凝胶的制备及成型研究

 以正硅酸乙酯(TEOS)为硅源，采用酸碱二步催化溶胶-凝胶法，结合超临界干燥技术制备了超低密度SiO₂气凝胶,最低密度为3.4 mg/cm³；进一步结合成型工艺，在解决了模具设计和脱模技术后制备了具有不同密度的柱状和微型套筒样品，密度10～50 mg/cm³。研究了水、催化剂、稀释剂对二步溶胶-凝胶过程的影响，获得了制备低密度SiO₂气凝胶的最佳条件。利用扫描电镜、孔径分布及比表面积测试仪等对SiO₂气凝胶微结构进行了研究。结果表明，获得的超低密度SiO₂气凝胶具有较好的纳米网络，平均孔径18.9 nm，还具有高比表面积898 9 m²/g。     

High coercive Nd-Fe-B magnets fabricated via two-step sintering

The fabrication of Nd₁₁Dy₄Fe_76.5TM_2.5B₆ (TM=Co, Cu, Al, and Nb: at%) sintered magnets via a two-step sintering process was demonstrated. A densification of greater than 99% was achieved using the two-step sintering of the Nd-Fe-B powder. This process produced a sample with an average grain size of 6.2 μm in the Nd₂Fe₁₄B phase, resulting in an enhancement of the coercivity compared to that of the isothermally sintered sample. The suppression of grain growth was considered to be affected by the relatively low temperature during the two-step sintering and by the presence of a B-rich phase at the triple junction. Consequently, the two-step sintering process led to suppression of grain growth and a uniform grain size distribution, which resulted in improved magnetic properties, in particular in the intrinsic coercivity.     

On the stability of two new two-step explicit methods for the numerical integration of second order initial value problem on a variable mesh

We present two novel two-step explicit methods for the numerical solution of the second order initial value problem on a variable mesh. In the case of a constant mesh the method is superstable in the sense of Chawla (1985). Numerical experimentation is provided to verify the stability analysis.     

两步晶化法合成纳米SAPO-34分子筛及其催化性能

分别以拟薄水铝石、硅溶胶和磷酸为铝源、硅源和磷源,四乙基氢氧化铵为模板剂,采用两步水热晶化法合成出粒径为200～300 nm的纳米级SAPO-34分子筛.采用X射线衍射(XRD)、X射线荧光光谱(XRF)、29Si 、27Al、31P MAS NMR、SEM、BET和NH3-TPD等手段对合成的SAPO-34分子筛进行...