Characteristics of Friedel pairs and diffraction contrast tomography with non‐perpendicular rotation axis

The characteristics of Friedel pairs in diffraction contrast tomography (DCT) are studied in the condition that the rotation axis of the sample is not exactly perpendicular to the incident X‐ray direction. For the rotation axis approximately aligned along the vertical direction, the Friedel pairs close to the horizontal plane are insensitive to the non‐perpendicularity of the rotation axis, and can be used to refine the sample‐to‐detector distance and X‐ray energy, while the Friedel pairs close to the vertical direction are sensitive to the non‐perpendicularity of the rotation axis, and can be used to determine the rotation axis orientation. The correct matching proportion of Friedel pairs decreases with increasing non‐perpendicularity of the rotation axis. A method of data processing considering rotation axis misalignment is proposed, which significantly increases the correct matching and indexing proportions of the diffraction spots. A pure aluminium polycrystalline sample is investigated using DCT at beamline 4W1A of Beijing Synchrotron Radiation Facility. Based on the analysis of Friedel pairs, the sample‐to‐detector distance and X‐ray energy are refined to be 8.67 mm and 20.04 keV, respectively. The non‐perpendicular angle of the rotation axis is calculated to be 0.10°. With these refined geometric parameters, the matching proportion of the spatial position of diffraction spots is 90.62%. Three‐dimensional reconstruction of the sample with 13 grains is realised using the algebraic reconstruction technique. It is demonstrated that the precise correction of the orientation of the sample rotation axis is effective in DCT suffering from rotation axis misalignment, and the higher accuracy in determining the rotation axis is expected to improve the reconstruction precision of grains.     

磁晶各向异性的高次项对纳米材料的磁滞回线的影响

在一般的磁滞回线计算中,磁晶各向异性能的高次项被忽略.运用一致转动的模型,在外磁场与易轴方向分别平行和垂直的情况下,通过分析磁晶各向异性能的四次方项对铁磁材料磁化过程的影响,得到磁滞回线的形状随磁晶各向异性能四次方和二次方项常数的比值λ的不同而发生变化,并给出不同λ时的矫顽力解析公式.结果对铁磁和铁电材料都适用.     

N-乙酰氨基葡萄糖水溶液变旋过程的液质联用和旋光研究

研究N-乙酰氨基葡萄糖在水溶液中的变旋行为.通过液质联用及比旋度分析,监测N-乙酰氨基葡萄糖水溶液的变旋情况.得到基于APCI离子源的N-乙酰氨基葡萄糖的多级质谱图,确认其水溶液变旋稳定时间及稳定状态下的差向异构体组成比例,并对N-乙酰氨基葡萄糖HPLC图中的差向异构体色谱峰进行指认.为存在变旋行为的糖及糖苷类化合物的研究提供了准确可行的方法.     

基于特征圆单目视觉的飞机舵面角位移标定技术

提出了一种基于特征圆单目视觉的非接触式飞机舵面角位移标定技术。用一台数码摄像机对固定在飞机舵面上的特征圆进行拍照,经数字图像处理后确定五个特征点的坐标,利用针孔成像和射影变换原理建立物像空间坐标解算模型,计算出特征圆的法线相对方向和圆心的相对位置,舵面角位移由该圆的法线方向确定。仿真结果表明,该方法具有标定过程简单、实时、快速和准确的特点,标定精度可达到0.1°。该技术也可用于航天器上实时测量交会对接时的相对位姿参数。     

缩比模型轮胎转速对整车风阻影响分析

在缩比模型风洞试验中,若车轮转速设置与气体来流相同,会使轮胎旋转角速度倍增,导致缩比模型设计难度增大,同时试验中的不稳定因素也会增加,因此需要对缩比模型风洞试验中轮胎转速对风阻的影响进行分析,以探究轮胎降转速试验的可行性。本文基于某MPV车型,通过风洞试验及计算流体动力学（CFD）仿真方法对轮胎转速对整车风阻的影响进行分析,结果表明：轮胎转速对风阻测试结果有影响;缩比模型车轮速度设定与来流相同时,缩比模型与全尺寸风阻结果更一致。     

分子旋光度的密度泛函计算及Soman绝对构型确定

手性化合物绝对构型的确定一直是有机化学特别是手性药物合成研究过程中经常遇到的问题之一. 利用密度泛函DFT/B3LYP量子化学计算方法, 通过计算两种已知旋光度分子的旋光度, 确认计算条件和验证计算结果的可靠性, 并将此方法应用于Soman旋光度的计算. 结合文献报道的Soman分子实验旋光度测定结果, 首次采用理论计算方法确定了梭曼(Soman)分子四个异构体的绝对构型, 分别为P(R),C(S)-Soman→P(＋)C(＋), P(R),C(R)-Soman→P(＋)C(－), P(S),C(S)-Soman→P(－)C(＋), P(S),C(R)-Soman→P(－)C(－).     

基于转角模态小波变换的连续梁损伤识别研究

针对采用基本振型进行小波变换识别连续梁支座附近损伤的困难,提出了运用转角模态小波变换识别损伤的方法.该方法在对连续梁转角模态进行有限元分析的基础上,用墨西哥帽小波做连续小波变换,并由多尺度小波分析确定损伤位置,由低尺度上的小波系数模极大值识别相对损伤程度,由小波系数线特征确.定损伤类型.通过对一具有离散裂缝、裂缝群和局部刚度下降三类损伤的连续梁做数值计算分析,验证了方法的有效性.该方法对连续梁损伤识别的工程应用具有参考价值.     

水下对转螺旋桨流致辐射噪声机理与预报方法*

水下对转螺旋桨流致辐射噪声的预报对于水下目标的特征提取和分类识别具有重要意义。由桨叶的旋转引起的湍流场是水下对转螺旋桨流致辐射噪声的源场。分述了水下对转螺旋桨湍流边界层脉动、旋转干涉效应和空化效应引发的水动力噪声机制和研究进展,比较了目前工程应用中的3种对转螺旋桨流致辐射噪声预报方法的特点。在分析对转螺旋桨流致辐射噪声数值预报难点的基础上,综述了对转螺旋桨流致辐射噪声计算方法的研究进展,指出间接数值模拟方法是工程中进行对转螺旋桨流致辐射噪声预报的有效方法。     

Direct Spectroscopic Detection of the Orientation of Free OH Groups in Methyl Lactate–(Water)1,2 Clusters: Hydration of a Chiral Hydroxy Ester

Hydration of chiral molecules is a subject of significant current interest in light of recent experimental observations of chirality transfer from chiral solutes to water in solution and the important roles which water plays in biological events. Using a broadband chirped pulse and a cavity based microwave spectrometer, we detected spectroscopic signatures of the mono‐ and dihydrates of methyl lactate, a chiral hydroxy ester. Surprisingly, these small hydration clusters show highly specific binding preferences. Not only do they strongly prefer the insertion H‐bonding topology, but they also favor specific pointing direction(s) for their non‐H‐bonded hydroxy group(s). We observed that the particular dihydrate conformer identified is not the most stable one predicted. This work highlights the superior capability of high‐resolution spectroscopy to identify specific water binding topologies, and provides quantitative data to test state‐of‐the‐art theory.     

一种微型FAIMS传感器芯片的研制

基于微机电系统(MEMS)技术,研制了一种微型高场非对称波形离子迁移谱(FAIMS)传感器芯片.芯片尺寸为18.8mm×12.4mm×1.2mm,由离子化区、迁移区、离子检测区组成.采用真空紫外灯离子源在大气压环境下对样品进行离子化,经过离子化区中聚焦电极的电场作用,实现离子在进入迁移区之前的聚焦,提高离子信号的强度.通过在上下玻璃上溅射Au/Cr(300nm/30nm)金属,并与厚度为200μm、采用感应耦合等离子体(ICP)工艺刻蚀的硅片键合,形成迁移区的矩形通道,尺寸为10mm×5mm×0.2mm.离子检测区为三排直径200μm、间距100μm交错排列的圆柱阵列式微法拉第筒,能同时检测正负离子.采用频率为2MHz,最大电压为364V,占空比为30%的高场非对称方波电压进行FAIMS芯片实验.以丙酮和甲苯为实验样品,载气流速80L·h-1,补偿电压从-10V到3V以0.1V的步长进行扫描,得到了丙酮和甲苯的FAIMS谱图,验证了FAIMS芯片的性能.丙酮和甲苯的FAIMS-MS实验进一步表明FAIMS系统实现了离子分离和过滤功能.