AlGaN基宽禁带半导体光电材料与器件

AlGaN基材料是带隙可调的直接带隙宽禁带半导体材料,是制备紫外(UV)光电子器件的理想材料.经过数十年的研究,目前已经在异质衬底外延生长AlGaN基材料、高效掺杂等方面取得了巨大进展.以此为基础,AlGaN基紫外光电器件制备领域也得到长足发展.在本综述中,主要介绍了高质量AlGaN基材料的MOCVD外延生长方法、掺杂方法以及近年来在紫外发光、紫外探测器件方面取得的进展.     

First-principles prediction of crystal structure and physical properties of ScB3

The crystal structure of ScB₃ is seeked by combining the developed particle swarm optimisation algorithm for crystal structure prediction with first-principles calculations. A new monoclinic phase with the C2/m symmetry is predicted successfully, which is energetically more superior to the early reported R-3m-, P2₁/m-, P6₃/mmc-, P-6m2-, Pnma-, and Pm-3m-type structures in the pressure range from 0 to 100?GPa. The obtained elastic constants and phonon dispersion curve reveal that the C2/m-ScB₃ is mechanically and dynamically stable. The predicted large bulk module, high shear modulus, small Poisson’s ratio as well as the considerable hardness indicate that the C2/m-ScB₃ has outstanding mechanical property. Meanwhile, the dependences of the bulk modulus and Young’s modulus of ScB₃ on the crystal orientation are investigated theoretically. Through applying the strain–stress method, the ideal tensile and shear strengths along different crystal directions are also estimated, and the obtained results confirm that the shear mode dominates the failure mode in the C2/m-ScB₃ structure and it is intrinsically a hard material. The electronic structure calculation and chemical bonding analysis illustrate that the strong covalent B-B and Sc-B bonds are responsible for its structural stability and high hardness.     

Optimization of STEM-HAADF Electron Tomography Reconstructions by Parameter Selection in Compressed Sensing Total Variation Minimization-Based Algorithms

A novel procedure to optimize the 3D morphological characterization of nanomaterials by means of high angle annular dark field scanning-transmission electron tomography is reported and is successfully applied to the analysis of a metal- and halogen-free ordered mesoporous carbon material. The new method is based on a selection of the two parameters (μ and β) which are key in the reconstruction of tomographic series by means of total variation minimization (TVM). The parameter-selected TVM reconstructions obtained using this approach clearly reveal the porous structure of the carbon-based material as consisting of a network of parallel, straight channels of ≈6 nm diameter ordered in a honeycomb-type arrangement. Such an unusual structure cannot be retrieved from a TVM 3D reconstruction using default reconstruction values. Moreover, segmentation and further quantification of the optimized 3D tomographic reconstruction provide values for different textural parameters, such as pore size distribution and specific pore volume that match very closely with those determined by macroscopic physisorption techniques. The approach developed can be extended to other reconstruction models in which the final result is influenced by parameter choice.     

湿度对水泥生料近红外光谱检测的影响及补偿方法

近红外光谱检测已被应用于水泥生料成分的快速检测,但现场环境中的湿度等因素会对光谱产生干扰,从而降低检测精度。为了提高检测精度,在实验分析湿度对水泥生料近红外光谱检测影响的基础上研究了补偿方法。在水泥厂选取了24份水泥生料样本,其中18份作为校正集,6份作为验证集;水泥生料中的有效成分为SiO2,Al2O3,Fe2O3和CaCO3,各成分含量的标准值由X射线荧光光谱分析测出。首先,将校正集的18份样本每份重复装样测5次光谱,用得到的90个光谱建立模型Ⅰ;再每份样品制作5个湿度梯度样本,其获得过程为,先将样本放置在电加热平台上,用玻璃棒将样本摊平,180℃下加热30 min,再将样本放置在散热片上进行降温,待样品恢复室温后取出进行第一次光谱扫描,得到1个光谱,将测量后的样本放入搅拌器,使用装有去离子水的喷雾器对其喷雾两次,然后搅拌30 s混合均匀,测量混合后的样本得到下一个光谱,重复该过程,得到具有湿度梯度的5个光谱。所有样本均采用烘干法进行湿度测量,样本湿度变化区间在0.6%~2%以内。对每个湿度梯度的样本测量1次,用得到的这90个光谱建立模型Ⅱ。然后,将验证集的6份样本每份制作5个湿度梯度,获取方式与校正集相同,对每个湿度梯度的样本测量1次,得到30个光谱。所有光谱均采用多元散射校正预处理,拟合波段选择4000~5000 cm^-1,建模方法采用偏最小二乘法。比较同一份样本的5个湿度梯度,可以看到在5200 cm^-1处光谱差异最大,在其他位置也有肉眼可见的明显差异,因此,湿度变化对全波段光谱有明显的影响。最后,将这30个光谱输入模型Ⅰ与模型Ⅱ进行验证,并对比模型Ⅰ与模型Ⅱ的预测均方根误差RMSEP。模型Ⅱ中SiO2,Al2O3,Fe2O3和CaCO3的预测均方根误差RMSEP比模型Ⅰ分别减小了25%,31.3%,33.3%和25%。实验结果表明,水泥生料样本湿度对近红外光谱模型的预测结果具有一定的影响,采用具有湿度梯度的样本进行建模可有效降低湿度对预测结果的影响。     

基于马赫曾德尔干涉原理的优化双锥结构应变温度同步传感

设计了一种基于光纤马赫曾德尔干涉仪的优化双凹锥结构。该结构通过单模光纤和保偏光纤之间使用不充分的电弧放电熔接制作而成,可以实现应变和温度的同步测量.凹锥中部的球形纤芯可以进一步地调控包层和纤芯中的光能量分布,经优化几何参数后的结构可以获得16 dB的干涉条纹消光比,大于相同参数下的双凹锥结构。传感实验表明所提出的结构在0～244.35με和25～50℃的范围内分别具有±1.616με和±0.79°C的高分辨率。由于交叉敏感导致两个参数的测量误差均小于1×10~(-3)%.这种结构为同时测量应变和温度提供了一种有效的方法,可应用于精密仪器测量中.     

Strong Pauli paramagnetic effect in the upper critical field of KCa2Fe4As4F2

Recently, 12442 system of Fe-based superconductors has attracted considerable attention owing to its unique double-Fe As-layer structure. A steep increase in the in-plane upper critical field with cooling has been observed near the superconducting transition temperature, Tc, in KCa2Fe4As4F2 single crystals. Herein, we report a high-field investigation on upper critical field of this material over a wide temperature range, and both out-of-plane(H∥c, Hc2c) and in-plane(H∥ab, Hc2ab ) directions have been measured.A sublinear temperature-dependent behavior is observed for the out-of-plane Hc2c , whereas strong convex curvature with cooling is observed for the in-plane Hc2ab . Such behaviors could not be described by the conventional Werthamer-Helfand-Hohenberg(WHH) model. The data analysis based on the WHH model by considering the spin aspects reveals a large Maki parameter α=9,indicating that the in-plane upper critical field is affected by a very strong Pauli paramagnetic effect.     

Sobolev-Lorentz范数约束下的次临界型Adams不等式

本文在Sobolev-Lorentz空间W2L2,q(R4)的范数约束下得到了一个最佳的二阶次临界型Adams不等式.进一步,当次临界指标逼近最佳常数时,得到了Adams泛函的上、下界的估计.本文主要采用了Lam和Lu[A new approach to sharp Moser-Trudinger and Adams ...     

Assessing the biocompatibility of NiTi shape memory alloys used for medical applications

The present paper reviews aspects related to the biocompatibility of NiTi shape memory alloys used for medical applications. These smart metallic materials, which are characterised by outstanding mechanical properties, have been gaining increasing importance over the last two decades in many minimal invasive surgery and diagnostic applications, as well as for other uses, such as in orthodontic appliances. Due to the presence of high amounts of Ni, the cytotoxicity of such alloys is under scrutiny. In this review paper we analyse work published on the biocompatibility of NiTi alloys, considering aspects related to: (1) corrosion properties and the different methods used to test them, as well as specimen surface states; (2) biocompatibility tests in vitro and in vivo; (3) the release of Ni ions. It is shown that NiTi shape memory alloys are generally characterised by good corrosion properties, in most cases superior to those of conventional stainless steel or Co–Cr–Mo-based biomedical materials. The majority of biocompatibility studies suggest that these alloys have low cytotoxicity (both in vitro and in vivo) as well as low genotoxicity. The release of Ni ions depends on the surface state and the surface chemistry. Smooth surfaces with well-controlled structures and chemistries of the outermost protective TiO₂ layer lead to negligible release of Ni ions, with concentrations below the normal human daily intake.     

Passive sampling and/or extraction techniques in environmental analysis: a review

The current state-of-the-art of passive sampling and/or extraction methods for long-term monitoring of pollutants in different environmental compartments is discussed in this review. Passive dosimeters that have been successfully used to monitor organic and inorganic contaminants in air, water, sediments, and soil are presented. The application of new approaches to the determination of pollutants at the sampling stage is discussed. The main milestones in the development of passive techniques for sampling and/or extraction of analytes, and in biomonitors used in environmental analysis, are summarized in this review. Passive samplers and biomonitors are compared.