A model for semiconductor quantum dot molecule based on the current spin density functional theory

Based on the current spin density functional theory, a theoretical model of three vertically aligned semiconductor quantum dots is proposed and numerically studied. This quantum dot molecule (QDM) model is treated with realistic hard-wall confinement potential and external magnetic field in three-dimensional setting. Using the effective-mass approximation with band nonparabolicity, the many-body Hamiltonian results in a cubic eigenvalue problem from a finite difference discretization. A self-consistent algorithm for solving the Schrödinger-Poisson system by using the Jacobi-Davidson method and GMRES is given to illustrate the Kohn-Sham orbitals and energies of six electrons in the molecule with some magnetic fields. It is shown that the six electrons residing in the central dot at zero magnetic field can be changed to such that each dot contains two electrons with some feasible magnetic field. The Förster-Dexter resonant energy transfer may therefore be generated by two individual QDMs. This may motivate a new paradigm of Fermionic qubits for quantum computing in solid-state systems.     

Determination of shear strength values according to EN 408

This paper presents the results of 382 shear tests carried out according to EN 408. The test pieces consisted of spruce (Picea abies) and varied in density and ring width orientation (radial, tangential and at an angle of 45° to the steel plates). In addition pieces containing pith and knots were tested. The paper discusses problems observed when using this test configuration and shows that the test results do not support the characteristic shear strength values as given in EN 338. Moreover, the test results do not support the relationship between characteristic shear strength and characteristic bending strength as given in EN 384.

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Résumé Cet article présente les résultats de 382 essais de cisaillement menés conformément à EN 408. Les éprouvettes d’essai sont en épicéa (Picea abies) et présentent une variabilité en termes de masse volumique et d’orientation des cernes d’accroissement (radiale, tangentielle, à un angle de 45° par rapport aux plaques métalliques). Des éprouvettes supplémentaires contenant du cœur et des nœuds ont également été testées. L’article évoque les problèmes qui ont été mis en évidence lors de l’utilisation de ce dispositif expérimental et montre que les résultats expérimentaux ne sont pas en accord avec les valeurs caractéristiques de résistance au cisaillement données dans EN 338. De plus, ces résultats ne confirment pas la relation entre résistance caractéristique au cisaillement et résistance caractéristique à la flexion telle que stipulée dans EN 384.

     

神经网络用于三元分子混合物密度与粘度的预测

以二元系实验为基础，利用反向转播算法训练神经网络，构造混合物组成，温度等与物性关系的模型，用于对４个三元混合物体系（１）邻二甲苯－间二甲苯－对二甲苯；（２）四氯化碳－环己烷－２－丙醇；（３）甲醇－丙酮－水；（４）水－甲醇－乙二醇的密度和５个三元混合物体系（１）信甲苯－间二甲苯－对二甲苯；（２）四氯化碳－环己烷－２－丙醇；（３）氯仿－２－丙醇－２－丁醇；（４）甲醇－丙酮－水；（５）乙醇－甲醇－水的粘     

Prediction of Final Product Properties After Cocurrent Spray Drying

The effect of drying and atomization conditions on the physical properties of powders for agglomerate-like materials and skin-forming material are studied in this article. A neural model is used for powder bulk and tapped density predictions.     

First-principles study of the tensile and fracture of the Al/TiN interface

Employing the density functional theory, we investigate the tensile and fracture processes of the Al/TiN(0 0 1) interface. The simulation presents directly the strain–stress relationship, the ideal tensile strength and the process of bond breaking of the system. Through the analysis of deformation, we find that the softer Al layers deform larger than the harder TiN layers during the tensile process. And fracture occurs between the interface and the sub-interface Al layers. In addition, the results show that during the tensile process, the ripple of the interfacial TiN layer decreases gradually with the increment of the strain. Charge transfer was detected from the Al to TiN layers near the interface area during the tensile process by means of charge density and density of states analyses. The charge transfer affects the fracture process. Compared to our previous study of the Al/TiN(1 1 1) interface, the Al/TiN(0 0 1) interface has smaller work of adhesion and larger tensile strength than the Al/TiN(1 1 1) interface. Our investigation shows that the fractures of the Al/TiN(0 0 1) and (1 1 1) interface systems both happen in the Al layers near the interface.     

速度密度 10m/s住宅

本文通过一次参加日本《新建筑》国际住宅竞赛的经历，就未来高密度城市环境中住宅的生存状态进行了探讨。并试图用以速度来定义密度的方式探索当私密性与公共交往之间出现不可调和的矛盾时一种新的解决之道。     

填充料细度对水工沥青混凝土性能的影响

近年来沥青混凝土作为防渗材料，在我国水工建筑中得到了广泛应用。与道路工程的沥青混凝土不同的是，水工沥青混凝土具有良好的粘弹性及抗渗性。目前，国家规范对填充料的细度尚无明确规定，通过调整沥青混凝土的填充料细工，对沥青混凝土的各项性能进行了系统的试验和分析，研究表明：适宜的填充料细度及掺量，能有效地改善沥青混凝土性能，提高其抗渗性。     

液位定量式灌装机的灌装精度概率模型与可靠度计算模型

描述了控制液位定量式灌装机的灌装时间与灌装精度的关系，推导出实际灌装时间的理论计算公式。针对实际存在的各种随机变量对灌装时间的影响，建立了灌装时间的概率模型，提出基于灌装时间随机误差的灌状精度以及灌装精度可靠度概念，并相应建立出灌装精度概率模型与灌装精度可靠度计算模型。     

仿真含裂隙地层地震记录的研究

本文介绍了含裂隙地层二维介质的三分量波动方程和吸收边界条件，叙述了不同裂隙性质地层的仿真单炮记录和横波叠加时间剖面的正演方法，给出了模型及实际的横波叠加剖面仿真实例。     

Adsorption and decomposition of H2S on Pd(1 1 1) surface: a first-principles study

Gradient-corrected density functional theory was used to investigate the adsorption of H₂S on Pd(1 1 1) surface. Molecular adsorption was found to be stable with H₂S binding preferentially at top sites. In addition, the adsorption of other S moieties (SH and S) was investigated. SH and S were found to be preferentially bind at the bridge and fcc sites, respectively. The reaction pathways and energy profiles for H₂S decomposition giving rise to adsorbed S and H were determined. Both H₂S_(ad) → SH_(ad) + H_(ad) and SH_(ad) → S_(ad) + H_(ad) reactions were found to have low barriers and high exothermicities. This reveals that the decomposition of H₂S on Pd(1 1 1) surface is a facile process.