双壳层靶丸金属层电沉积装置设计

设计了一种新型双壳层靶丸金属层电沉积装置,借助计算机模拟了其设计原理,分析了微球的运动及镀层的生长模式,介绍了其各部分结构和功能。借助理论计算,确定了镀槽的整体尺寸,其中槽体半径确定为5cm。镀槽的特殊结构使微球上部镀层沉积速度较快,结合小球的自转及围绕圆柱体的公转运动实现镀层均匀沉积。镀液及微球的运动模式使镀液流速合并了主盐浓度、小球平动速度、小球转动速度三个关键参数,简化了对沉积过程的控制。在新旧装置上进行了电沉积实验,制备出了镀层厚度分别为9μm和2μm的空心金微球,结果表明:使用设计的装置可制备表面质量良好、厚度均匀且可控的金属微球,镀层厚度由沉积时间、金属层密度、镀液比重、微球芯轴的等效密度等决定。     

类氩体系基态能量的相对论修正

以相对论修正哈密顿(包括质量修正、单体和双体达尔文修正、自旋-自旋接触相互作用)的张量形式为基础,借助不可约张量理论导出了类氩体系基态能量的相对论修正的解析表达式.在斯莱特表象中完成了所有的角向积分和自旋求和计算,能量的相对论修正式用径向矩阵元的线性组合来表示.对类氩体系基态能量的相对论修正值进行了具体计算,修正后基态能量与实验值的相对误差小于0.0459%.     

基于动态雷达比的气溶胶消光系数及光学厚度反演

激光雷达以其高垂直空间分辨率和高时间分辨率的优势在大气气溶胶监测中具有重要作用。在利用Fernald法反演气溶胶消光系数和光学厚度的过程中,雷达比是反演结果的主要误差源。在目前的应用中雷达比普遍都是取固定值,这就必然给雷达反演带来误差。通过对污染物以及气象数据与雷达比的逐步回归分析,建立了雷达比估算模型,从而实现雷达比的动态估算。研究表明:雷达比的变化与空气中PM2.5质量浓度、相对湿度、SO2和NO2质量浓度等具有明显相关性。相比于固定值,利用动态雷达比反演的气溶胶消光系数和光学厚度精度明显提高。     

YBCO高温超导螺管磁体的优化设计

螺管线圈具有结构简单,材料利用率高等优点,是一种应用较为广泛的磁体结构.但单螺管线圈也具有漏磁较大,均匀度不高的缺点.针对螺管线圈的基本特征,包括磁场强度、磁场分布、磁体的内半径、磁体的漏磁等,本文利用数值计算的方法对高温超导螺管磁体结构进行了优化.在结构优化过程中,文中采用全局搜索能力较强的遗传算法和局部搜索能力较强的非线性规划算法相结合的非线性遗传算法进行优化,使超导磁体在满足一定约束条件的情况下达到最少的超导带材用量,以节约磁体的制造成本.同时比较分析了结构优化前后超导磁体的DSV(diameter spherical volume)区域的均匀度和杂散场分布.     

Can 2‐acylpyrroles form an intramolecular hydrogen bond?

The formation of intramolecular hydrogen bonding by certain N‐substituted 2‐acylpyrroles has been demonstrated by B3LYP/aug‐cc‐pVDZ calculations, the quantum theory of atoms in molecules, and the natural bond orbital method. Total electron energy densities H_BCP at the bond critical point of the H?O bond were applied to analyze the strength of these interactions. The relations between quantum theory of atoms in molecules, carbonyl stretching vibrational modes ν_{C = O}, and natural bond orbital parameters associated with the formation of the C–H?O interaction have been established. The short contacts were found experimentally in the crystal structure of a new 2‐acylpyrrole derivative 5‐chloro‐2‐oxopentyl‐1‐(5‐chloro‐2‐oxopentyl)pyrrolo‐2‐carboxylate. The influence of 2‐ and N‐substitution of 2‐acylpyrroles on C‐H?O interaction energy is discussed. It was found that the methylene group may act as a proton donor leading to a red‐shift or blue‐shift phenomenon of the ν_C–H stretching mode. Copyright © 2015 John Wiley & Sons, Ltd.     

Imaging the Magnetic Reversal of Isolated and Organized Molecular‐Based Nanoparticles using Magnetic Force Microscopy

In the race towards miniaturization in nanoelectronics, magnetic nanoparticles (MNPs) have emerged as potential candidates for their integration in ultrahigh‐density recording media. Molecular‐based materials open the possibility to design new tailor‐made MNPs with variable composition and sizes, which benefit from the intrinsic properties of these materials. Before their implementation in real devices is reached, a precise organization on surfaces and a reliable characterization and manipulation of their individual magnetic behavior are required. In this paper, it is demonstrated how molecular‐based MNPs are accurately organized on surfaces and how the magnetic properties of the individual MNPs are detected and tuned by means of low‐temperature magnetic force microscopy (LT‐MFM) with variable magnetic field. The magnetization reversal on isolated and organized MNPs is investigated; in addition, the temperature dependence of their magnetic response is evaluated.     

Combination of HAADF‐STEM and ADF‐STEM Tomography for Core–Shell Hybrid Materials

Characterization of core–shell type nanoparticles in 3D by transmission electron microscopy (TEM) can be very challenging. Especially when both heavy and light elements coexist within the same nanostructure, artifacts in the 3D reconstruction are often present. A representative example would be a particle comprising an anisotropic metallic (Au) nanoparticle coated with a (mesoporous) silica shell. To obtain a reliable 3D characterization of such an object, a dose‐efficient strategy is proposed to simultaneously acquire high‐angle annular dark‐field scanning TEM and annular dark‐field tilt series for tomography. The 3D reconstruction is further improved by applying an advanced masking and interpolation approach to the acquired data. This new methodology enables us to obtain high‐quality reconstructions from which also quantitative information can be extracted. This approach is broadly applicable to investigate hybrid core–shell materials.     

Theoretical stability,thin film synthesis and transport properties of the Mon +1GaCn MAX phase

The phase stability of Mo_{n +1}GaC_n has been investigated using ab‐initio calculations. The results indicate stability for the Mo₂GaC phase only, with a formation enthalpy of –0.4 meV per atom. Subsequent thin film synthesis of Mo₂GaC was performed through magnetron sputtering from elemental targets onto Al₂O₃ [0001], 6H‐SiC [0001] and MgO [111] substrates within the temperature range of 500 °C and 750 °C. High structural quality films were obtained for synthesis on MgO [111] substrates at 590 ºC. Evaluation of transport properties showed a superconducting behavior with a critical temperature of approximately 7 K, reducing upon the application of an external magnetic field. The results point towards the first superconducting MAX phase in thin film form. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Chemical depth profiling and 3D reconstruction of III–V heterostructures selectively grown on non‐planar Si substrates by MOCVD

The chemical characterization of novel 3D architectures with nanometre‐scale dimensions is extremely challenging. The chemical composition of InGaAs/AlAs quantum wells selectively grown in SiO₂ trenches, 100–300 nm wide, is studied. Combining high lateral resolution 3D ToF‐SIMS analysis and Auger measurements, the chemical composition of individual trenches was obtained confirming the uniformity of these III–V heterostructures. These results correlate well with an average approach using SIMS depth profiling. The effects of ion beam orientation on the surface topography of confined structures were highlighted. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)