In和Te掺杂PbSe薄膜制备及其对薄膜光电性能的影响机制

采用中频磁控溅射技术制备了PbSeIn和PbSeTe两种掺杂PbSe薄膜, 并采用理论模拟与实际实验相结合的方法研究了In和Te两种元素的掺杂机制及其对薄膜性 能的影响。结果表明,In原子主要通过置换Pb原子的形式进行掺杂,而Te原子则主要置换 Se原子;与未掺杂PbSe薄膜相比,PbSeIn和PbSeTe两种薄膜的光电敏感性均有一定提高, 其中In掺杂PbSe薄膜的平均电阻变化率最高。这是由于In元素在PbSe薄膜禁带内形成深杂 质能级,提高非平衡载流子寿命所导致的。而PbSeTe薄膜的光电敏感性则与未掺杂PbSe薄 膜相近。     

一种基于视觉注意模型的可移动目标检测方法

提出了一种基于视觉显著性的目标检测算法,用于对位于地面上的车辆、飞 机等地面可移动目标进行检测和定位。针对地面可移动目标在场景中较小的特点,设计了一种用于对 目标检测进行引导的基于视觉注意机制的目标显著模型。首先,提取图像目标的颜色特征、强 度特征和方向Gabor特征,并将其结合起来用于计算显著图。然后以超像素为单位对 显著值进行计算,并结合人眼视觉敏感度对不同距离的超像素之间的差异进行加权处理。实 验结果表明,本文算法可以有效地检测并定位出复杂背景中的地面可移动目标。     

透平叶栅三维粘性气动反问题的控制理论方法

将基于控制理论的形状优化设计方法应用于粘性可压流动条件下的透平叶栅三维气动反设计,详细推导了三维N-S方程伴随系统的偏微分方程组及其各类边界条件.讨论了伴随系统的解的适定性条件,并由此给出应用N-S方程进行气动优化的目标函数的选取限制.研究了伴随方程的数值求解技术,给出敏感性导数的最终计算式,结合拟牛顿算法发展了三维透平叶栅粘性反问题的气动设计方法.     

稀土X (X=La、Ce、Pr、Nd)修饰单层h-MoS2的NO气敏性

为提高h-MoS₂对NO的气敏性,采用第一性原理研究了X(X=La、Ce、Pr和Nd)对h-MoS₂的稳定性、吸附特性、功函数和伏安特性的影响.研究结果表明：X(X=La、Ce、Pr和Nd)取代Mo原子后得到的形成能均为负,说明掺杂体系容易形成且稳定存在.同时X掺杂后的h-MoS₂布居数相比于未掺杂前的大,也说明掺杂有利于体系稳定.NO吸附在La、Ce原子顶部位置的吸附能为-1.215 eV、-1.225 eV,吸附距离分别为2.475?、2.854?,具有明显的化学吸附特征.同时Hirshfeld转移电荷分别为0.213e和0.325e,具有明显的受体特征,提高了气敏性.La和Ce掺杂后能明显改变功函数的大小,也说明La和Ce能提高h-MoS₂对NO的气敏性.施加电场后能有效提高Pr掺杂体系的吸附强度,增大Hirshfeld转移电荷,对功函数的改变最大,所以电场对Pr掺杂体系的影响非常明显.通过分析掺杂体系的伏安特性曲线,La、Ce两掺杂体系的电流分别由0增大到5.3μA和4.8μA,而Pr、Nd...     

Modeling and testing of snow penetration

Penetration by a cone into snow is commonly used to characterize snow properties. However, the effects of the diameter and half-angle of the cone on the mechanical properties of snow have not been systematically studied. In addition, no estimation of material parameters in a physically-based model has been made such that the results from penetration provide only an index of snow properties. In this paper, modeling and experimental methods are used to examine the effects of cone geometry on the maximum penetration force and associated hardness, with penetrometers ranging from 2.5 to 4 mm in diameter, 15° to 45° in cone half-angle, and testing both fine-grained and coarse-grained snows. The material point method, in conjunction with the Drucker–Prager cap plasticity model, was used to obtain the theoretical penetration force-distance relationship. Global sensitivity studies were conducted that indicate that the cohesion accounts for 86% of the penetration force, followed distantly by friction angle which accounts for 27%. A general trend, for the simulation results was established: for a given half-angle, the penetration force increases with the increase of diameter which holds for most of the test data as well; for a given diameter, the penetration force decreases with the increase of half-angle, which holds for some of the test data. In addition, for a given half-angle, the hardness decreases with the increase of diameter; for a given diameter, the hardness decreases with the increase of half-angle. To take into consideration the uncertainty of test data, a simple interval-based metric was used to compare test data with simulation results; the comparison was satisfactory. The material parameters from the simulations can thus be considered as calibrated ones for the snow studied.     

Anion influenced self-assembly of stilbazolium derivative and acid-sensitive property of its corresponding gel

Two stilbazolium derivatives with different counter-anions (Br^?  and OH^? ) have been designed and synthesised. Different counter-anions cause different aggregation properties. The reason of this difference was investigated through concentration- and temperature-dependent ¹H NMR and IR spectra. When the counter-anion is OH^? , the stilbazolium derivative exhibits pronounced aggregation properties. The scanning electron microscope images of xerogels show the characteristic gelation morphologies of 3D fibrous network structures. X-ray diffraction and fluorescence spectroscopy studies have been carried out, and provide more information to define the molecular packing model in gelation states. Finally, the acid-sensing abilities of the xerogel film were studied.     

Finite element and sensitivity analysis of thermally induced flow instabilities

This paper presents a finite element algorithm for the simulation of thermo‐hydrodynamic instabilities causing manufacturing defects in injection molding of plastic and metal powder. Mold‐filling parameters determine the flow pattern during filling, which in turn influences the quality of the final part. Insufficiently, well‐controlled operating conditions may generate inhomogeneities, empty spaces or unusable parts. An understanding of the flow behavior will enable manufacturers to reduce or even eliminate defects and improve their competitiveness. This work presents a rigorous study using numerical simulation and sensitivity analysis. The problem is modeled by the Navier–Stokes equations, the energy equation and a generalized Newtonian viscosity model. The solution algorithm is applied to a simple flow in a symmetrical gate geometry. This problem exhibits both symmetrical and non‐symmetrical solutions depending on the values taken by flow parameters. Under particular combinations of operating conditions, the flow was stable and symmetric, while some other combinations leading to large thermally induced viscosity gradients produce unstable and asymmetric flow. Based on the numerical results, a stability chart of the flow was established, identifying the boundaries between regions of stable and unstable flow in terms of the Graetz number (ratio of thermal conduction time to the convection time scale) and B, a dimensionless ratio indicating the sensitivity of viscosity to temperature changes. Sensitivities with respect to flow parameters are then computed using the continuous sensitivity equations method. We demonstrate that sensitivities are able to detect the transition between the stable and unstable flow regimes and correctly indicate how parameters should change in order to increase the stability of the flow. Copyright © 2009 John Wiley & Sons, Ltd.     

Untersuchungen zur Empfindlichkeit der β-Rückstreumethode bei der Messung dünner Auftragsschichten mit einem 11C-Spezialpräparat

Die Bestimmung dünner Auftragsschichten auf bewegten Trāgermaterialien mit der β-Rūckstreumethode hängt wesentlich von der Empfindlichkeit der Messung und der Dynamik des Prozesses ab.

In diesem Beitrag wird für spezielle Stoffe der Einfluβ der Trāgermaterialien bei Mehrschichtproblemen auf die Empfindlichkeit untersucht.     

Sensitivity enhancement and matrix effect evaluation during summation of multiple transition pairs—case studies of clopidogrel and ramiprilat

Sensitivity enhancement via summation of multiple MRM transition pairs is gaining popularity in tandem mass spectrometric assays. Numerous validation experiments describing the assays for two model substrates, clopidogrel and ramiprilat, were performed. The quantitation of clopidogrel was achieved by the summation of transition pairs m/z 322.2 to m/z 212.0 and m/z 322.2 to m/z 184.0, while that of ramiprilat was achieved by the summation of transition pairs m/z 389.2 to m/z 206.1 and m/z 389.2 to m/z156.1. The use of summation approach achieved sensitivities of >2 fold for both compounds as compared with the reported single MRM transition pair assays. The validation experiments addressed some important assay development issues, such as: (a) lack of impact of matrix effect; (b) unequivocal verification of the percentage contribution of each MRM transition pair towards sensitivity; (c) sensitivity enhancement factor achieved by summation approach of MRM transition pairs; and (d) accurate prediction of quality control samples using summation approach vs a single MRM transition pair. In summary, the appropriateness of using two MRM transition pairs for quantitation was demonstrated for both clopidogrel and ramiprilat. Additionally, pharmacokinetic application of the MRM transition pair assays using a summation approach was established for the two compounds. Copyright © 2009 John Wiley & Sons, Ltd.     

Sensitivity enhancement in structural measurements by solid state NMR through pulsed spin locking

Free induction decay (FID) signals in solid state NMR measurements performed with magic angle spinning can often be extended in time by factors on the order of 10 by a simple pulsed spin locking technique. The sensitivity of a structural measurement in which the structural information is contained in the dependence of the integrated FID amplitude on a preceding evolution period can therefore be enhanced substantially by pulsed spin locking in the signal detection period. We demonstrate sensitivity enhancements in a variety of solid state NMR techniques that are applicable to selectively isotopically labeled samples, including 13C-15N rotational echo double resonance (REDOR), 13C-13C dipolar recoupling measurements using the constant-time finite-pulse radio-frequency-driven recoupling (fpRFDR-CT) and constant-time double-quantum-filtered dipolar recoupling (CTDQFD) techniques, and torsion angle measurements using the double quantum chemical shift anisotropy (DQCSA) technique. Further, we demonstrate that the structural information in the solid state NMR data is not distorted by pulsed spin locking in the detection period.