First-principles modelling of scanning tunneling microscopy using non-equilibrium Green’s functions

The investigation of electron transport processes in nano-scale architectures plays a crucial role in the development of surface chemistry and nano-technology. Experimentally, an important driving force within this research area has been the concurrent refinements of scanning tunneling microscopy (STM) techniques. The theoretical treatment of the STM operation has traditionally been based on the Bardeen and Tersoff–Hamann methods which take as input the single-particle wave functions and eigenvalues obtained from finite cluster or slabs models of the surface-tip interface. Here, we present a novel STM simulation scheme based on non-equilibrium Green’s functions (NEGF) and Wannier functions which is both accurate and very efficient. The main novelty of the scheme compared to the Bardeen and Tersoff–Hamann approaches is that the coupling to the infinite (macroscopic) electrodes is taken into account. As an illustrating example we apply the NEGF-STM method to the Si(001)-(2×1):H surface with sub-surface P doping and discuss the results in comparison to the Bardeen and Tersoff–Hamann methods.     

Some theoretical aspects of elastic wave modeling with a recently developed spectral element method

A spectral element method has been recently developed for solving elastodynamic problems. The numerical solutions are obtained by using the weak formulation of the elastodynamic equation for heterogeneous media, based on the Galerkin approach applied to a partition, in small subdomains, of the original physical domain. In this work, some mathematical aspects of the method and the associated algorithm implementation are systematically investigated. Two kinds of orthogonal basis functions, constructed with Legendre and Chebyshev polynomials, and their related Gauss-Lobatto collocation points are introduced. The related integration formulas are obtained. The standard error estimations and expansion convergence are discussed. An element-by-element pre-conditioned conjugate gradient linear solver in the space domain and a staggered predictor/multi-corrector algorithm in the time integration are used for strong heterogeneous elastic media. As a consequence, neither the global matrices nor the effective force vector is assembled. When analytical formulas are used for the element quadrature, there is even no need for forming element matrix in order to further save memory without losing much in computational efficiency. The element-by-element algorithm uses an optimal tensor product scheme which makes this method much more efficient than finite-element methods from the point of view of both memory storage and computational time requirements. This work is divided into two parts. The first part mainly focuses on theoretical studies with a simple numerical result for the Che-byshev spectral element, and the second part, mainly with the Legendre spectral element, will give the algorithm implementation, numerical accuracy and efficiency analyses, and then the detailed modeling example comparisons of the proposed spectral element method with a pseudo-spectral method, which will be seen in another work by Lin, Wang and Zhang.     

Development of an integrated optical system for warpage and hermeticity test of microdisplay

We have developed an integrated optical system to measure the warpage of a microdisplay product at post-packaging die-attach temperature and to test its hermeticity after manufacturing. This system is constructed based on the principle of Twyman/Green (T/G) interferometry and Newton interferometry. T/G interferometry is used to characterize warpage of the microdisplay's base-plate, while Newton interferometry is used to characterize the gap variance between face-plate and base-plate of the microdisplay. With these measurements, deformation and shape of the microdisplay can be comprehensively determined during its manufacturing process, which is critical for its quality test and reliability evaluation. Delicate mechanical system was designed to facilitate the optics integration and alignment. To evaluate the performance of the optical system itself, warpage of a sample was re-measured with Tailor–Hobson profilometer whose resolution is 10 nm, the results from these two testing systems agree well with each other. Some application examples of the integrated testing system were presented to verify its work efficiency.     

Neutral Community Theory: How Stochasticity and Dispersal-Limitation Can Explain Species Coexistence

Neutral community theory explains biodiversity, i.e. the coexistence of several species, as the result of a stochastic balance between immigration and extinction on a local level, and between speciation and extinction on a regional level. The most popular model, presented by Hubbell in 2001, has seen many analytical developments in recent years, which can be used in model analysis, model testing and model comparison. We review these developments here, and present alternative derivations and shine previously unnoticed lights on them.     

基于改进格林元的压裂水平井动态分析方法

以建立高效的动态分析方法为出发点,以边单元作为求解点,改进传统的格林元方法,减少未知数和求解矩阵维度;并提出基于改进格林元的加密网格加密方法,保证考虑复杂裂缝网络的压裂水平井动态模拟的早期精度.退化模型与半解析解、数值模拟结果进行对比,验证本文基于加密网格的改进格林元方法的准确性和动态分析的高效性.最后进行动态响应的敏感性分析,结果表明：①格林元方法是一种高精度的动态模拟方法,将求解节点设置在网格的边上可以提高压裂水平井动态模拟的速度;②改进格林元方法的加密基于叠加原理,不需要通过插值近似,其求解精度高.在相同加密网格条件下,基于本文改进格林元方法的加密效果比有限差分加密效果更佳;③复杂裂缝导流能力、改造区渗透率提高倍数、改造区大小等参数对压裂水平井动态特征影响较大,在动态分析和参数反演时,应着重考虑这些因素的影响.     

Comparative study of optical analysis methods for thin films

Three popular optical analysis methods (the transfer-matrix method, the Tinkham formula, and Beer's law) have been used for analyzing the optical spectra of thin films. While the transfer-matrix method is an accurate method, the Tinkham formula and Beer's law are approximate methods. Here we investigated the three methods using measured transmittance spectra of insulating transition-metal dichalcogenide (TMD) thin films on a quartz substrate. Three different semiconducting 2H-TMD systems (MoS₂, MoSe₂, and MoTe₂) were measured and analyzed. The optical conductivities obtained from the measured transmittance spectra using the transfer-matrix method and Tinkham formula and the absorption coefficients obtained using the transfer-matrix method and Beer's law were compared. The comparisons show some discrepancies. The reasons for the discrepancies between the results obtained via the two different methods were examined and the application limitations of the Tinkham formula and Beer's law were discussed.     

水平层状介质中电磁场并矢Green函数的一种快速新算法

本文利用提取直射波并结合自适应数字滤波等技术提出一种计算水平层状介质中电磁场并矢Green函数的快速算法. 首先将谱域Green函数中表征均匀介质作用的直射波提取出来并对其积分进行解析计算,这种处理降低了谱域Green函数的奇异性,可在很大程度上缩短其积分收敛区间. 然后在将谱域Green函数剩余部分对应积分转化为三个快速下降积分的基础上,引入一种自适应数字滤波算法对其进行快速求解. 最后通过具体算例验证了本文所述算法的有效性. 关键词： 并矢Green函数 快速算法 水平层状介质     

Morphological and ultrastructural characterization of the alimentary canal in Japanese wax scale (Ceroplastes japonicus Green)

The morphology and ultrastructure of the alimentary canal in the adult female of the Japanese wax scale, Ceroplastes japonicus Green (Hemiptera: Coccoidea: Coccidae), was investigated using light microscopy, scanning electron microscopy and transmission electron microscopy. The results showed that the foregut was subdivided into a sclerotized pharynx and an oesophagus. A pair of salivary glands attached in the middle of the foregut. The loop-shaped midgut was narrow and longer than the foregut and its inner wall lined with a thick layer of epithelia. The hindgut was divided into a narrower ileum and a broader rectum, with the well-developed filter chamber enclosed in the anterior rectum. Malpighian tubules consisted of two brownish-yellow moniliform tubules with pores, approximately 1 μm in diameter, scattered on the outer surface and many spherical crystals inside the tubules.     

传感器的补偿及回归精度分析

本文讨论了传感器输入与输出的关系以及所采取的线性补偿及非线性补偿方法，得出了经验公式及回归精度。     

高斯-谢尔模型光束通过杨氏双缝衍射后的解析传输公式

 通过将杨氏双缝窗口函数表示为复高斯函数叠加的方法,从Collins公式出发推导出了高斯-谢尔模型(GSM)光束通过杨氏双缝和ABCD光学系统后光强的近似解析表达式。利用该公式作了数值计算,通过与Collins公式计算结果进行比较,确定了该公式的适用范围,研究了相干长度和双缝中心遮拦比对解析公式适用范围的影响,并对该公式的应用前景作了展望。