图形衬底对多周期InGaAs量子点自组装生长的影响

量子点器件技术广泛应用于量子计算和光电器件上.成核位置的均匀性、有序性和尺寸一致性,可以有效提高光电器件性能.为了实现阵列量子点的可控性,本文采用湿法刻蚀制备图形化衬底,理论上解释了铟原子在图形化衬底上成核现象,产生有序的量子点分布特征,发现图形衬底的缺陷诱导在平台边缘和沟壑边缘成核,形成较大的量子点.在Stranski-Krastanow模式下图形衬底制备多周期量子点,发现多周期生长可以弱化台阶结构对量子点分布的限制作用.     

Quantum Chemistry-based Molecular Dynamics Simulations as a Tool for the Assignment of ESI-MS/MS Spectra of Drug Molecules

In organic mass spectrometry, fragment ions provide important information on the analyte as a central part of its structure elucidation. With increasing molecular size and possible protonation sites, the potential energy surface (PES) of the analyte can become very complex, which results in a large number of possible fragmentation patterns. Quantum chemical (QC) calculations can help here, enabling the fast calculation of the PES and thus enhancing the mass spectrometry-based structure elucidation processes. In this work, the previously unknown fragmentation pathways of the two drug molecules Nateglinide (45 atoms) and Zopiclone (51 atoms) were investigated using a combination of generic formalisms and calculations conducted with the Quantum Chemical Mass Spectrometry (QCxMS) program. The computations of the de novo fragment spectra were conducted with the semi-empirical GFNn-xTB (n=1, 2) methods and compared against Orbitrap measured electrospray ionization (ESI) spectra in positive ion mode. It was found that the unbiased QC calculations are particularly suitable to predict non-evident fragment ion structures, sometimes contrasting the accepted generic formulation of fragment ion structures from electron migration rules, where the “true” ion fragment structures are approximated. For the first time, all fragment and intermediate structures of these large-sized molecules could be elucidated completely and routinely using this merger of methods, finding new undocumented mechanisms, that are not considered in common rules published so far. Given the importance of ESI for medicinal chemistry, pharmacokinetics, and metabolomics, this approach can significantly enhance the mass spectrometry-based structure elucidation processes and contribute to the understanding of previously unknown fragmentation pathways.     

粘性可压混合层时间稳定性对称紧致差分求解

基于可压扰动方程组的一阶改型 ,将高精度对称紧致格式引入边值法数值线性稳定性分析。对所获非线性离散特征值问题给出了一个通用形式二阶迭代局部算法 ,实现了时间模式和空间模式的统一求解 ,并将扰动特征值及其特征函数同时得到。据此分析了可压平面自由混合层时间稳定性 ,涉及二维 /三维扰动波、粘性 /无粘扰动波、第一 /第二模态、特征函数、伪特征值谱等。研究表明 ,压缩性效应和粘性效应对最不稳定扰动波数和增长率呈相似的减抑作用 ;在 Mc=1附近 ,从高波数段开始 ,粘性效应可强化二维不稳定扰动波由第一模态向第二模态的过渡     

Elastic impact on finite Timoshenko beam

In this paper the analytical solutions of the impact of a particle on Timoshenko beams with four kinds of different boundary conditions are obtained according to Navier's idea, which is further developed. The initial values of the impact forces are exactly determined by the momentum conservation law. The propagation of the longitudinal and transverse waves along the beam, especially, the effects of boundary conditions on the characteristics of the reflected waves, are investigated in detail. Some results are compared with those by MSC/NASTRAN.     

LINEAR ACTIVE STRUCTURES AND MODES (Ⅰ)--BASIC CONCEPTS AND PROPERTIES

Some basic concepts about the active structures were firstly explained, and the main subjects to study in the field of active structure dynamics were synthesized. For the linear active structures, the annotations on the modes were done in detail. The physical meanings of the right and left eigenvectors were explained. The right eigenvectors are the modal shapes and the modal responses of an active structure depend on the left ones. The adjoint structure of an active structure was defined and the reciprocity theorem was interpreted. For two active structures, which are adjoint to each other and with the reciprocal gain-matrices, the right and left eigenvector are reciprocal. The relationship between an active structure and the corresponding passive structure is expressed with the transfer functions, which is employed to resolve the estimation problems.     

复模态理论在近海平台中的应用

运用复模态理论对考虑海洋平台结构与流体相互作用而引起的非经典阻尼问题进行了理论分析。水中耦合阻尼矩阵运用复模态解法，可以不必近似对角化。推导了随机波浪荷载作用下结构各种反应的能量谱密度函数及结构反应的统计特性，得到了结构反应的均方差和峰值的表达式。针对某典型平台在随机波浪荷载作用下动力反应用复模态法进行了计算并与运用实模态方法多重叠代方法的结果进行了比较。     

A GEOMETRIC THEORY IN INVESTIGATION ON MODE LOCALIZATION AND FREQUENCY LOCI VEERING PHENOMENA

According to the mapping theory in complex plane,the geometric features of eigen fre-quency loci of systems undergoing free vibrations are investigated.It is concluded that the phenomenaof curve coalescence and veering can be described in a unified manner from the singularities of map-ping from the complex parameter plane onto the complex frequency plane.The formation of a branchpoint in the parameter space is the foundation of explaining localization and veering phenornena.Bythe use of condensation to reduce the dimension of a system,the scope of application of the geometrictheory is widely expanded.The theory is applied to examples to verify the validity of the proposed ap-proach.The present work is an improvement and extension of recent work by M.S.Traintafyllou etal.,     

结构模态分析的有限元并行模拟

以子结构模态综合分析为基础,提出一种求解大型结构特征值问题的并行解法．采用子结构模态综合算法,结构特征模态采用子空间迭代方式并行求解．这种子空间迭代法的子结构并行计算的实施是利用子结构的刚度阵和质量阵而不必完全组集系统刚度阵和质量阵求解综合系统的特征值问题．数值结果表明这种求解大型结构特征值问题的并行算法是可行有效的．     

Diffuse mode bifurcation of soil causing convection-like shear investigated by group-theoretic image analysis

Diffuse mode bifurcation of soil under plane-strain compression test is shown, by means of an image analysis based on group-theoretic bifurcation theory, to trigger convection-like shear and to precede shear band formation. First digital photos of Toyoura sand specimens are processed by PIV (particle image velocimetry) to gather digitized images of deformation. Next bifurcation from a uniform state is detected by expanding these images into the double Fourier series and finding a predominant harmonic diffuse bifurcation mode based on that theory. This harmonic bifurcation mode, which is the mixture of a few harmonic functions, expresses complex convection-like shear. Last bifurcation from a non-uniform state is detected by decomposing each image into a few images with different symmetries to extract non-harmonic diffuse bifurcation modes. Diffuse modes of bifurcation, which hitherto were hidden behind predominant uniform compressive deformation, have thus been made transparent by virtue of the group-theoretic image analysis proposed. A possible course of deformation suggested herein is the evolution of diffuse mode bifurcation with a convection-like bifurcation mode breaking uniformity and symmetry, followed by the formation of shear bands through localization.     

模糊桁架结构在模糊激励下的动力响应分析

研究了模糊参数桁架结构在模糊荷载激励下的动力响应分析问题. 不仅模糊桁架结构的物 理参数、几何尺寸具有模糊性，而且外载荷幅值也具有模糊性时，从Duhamel积分式出发，利用模糊因子法、区间运算和振型叠加法求出了结构动力响应模糊变量的表达式. 最后通过算例考察了结构参数和作用荷载的模糊性对结构动力响应的影响，表明所提出的计算模型和 分析方法是正确与可行的.