First-Principle Calculations of the Adsorption, Dissociation and Diffusion of Hydrogen on the Mg(0001) Surface

First-principle pseudopotential plane wave calculations and the Nudged Elastic Band method based on density functional theory (DFT) have been used in this article to study the dissociation of molecular hydrogen on a Mg(0001) surface and the subsequent diffusion of atomic hydrogen into the magnesium substrate. First, the dissociation pathway of H2 and the relative barrier were investigated. It was shown that physical adsorption rather than chemisorption of molecular hydrogen was observed in the calculation of the dissociation process of molecular hydrogen. Also, the diffusion process of atomic hydrogen on Mg(0001) was presented. The surface effect, which affected the diffusion of hydrogen obviously, was observed. Finally, comparing the values of the activation energies for the steps of dissociation, diffusion, and desorption, our calculation further showed that the dissociation of H2 and the desorption of hydride were the rate-limiting steps.     

应力波和动光弹等差条纹的分析与判读

介绍了动光弹的基本原理，并从理论上回答了动光弹应用中的一些问题，如惯性力可否忽略等．并在总结回顾动光弹等差条纹级次判读方法的基础上，提出了把应力波理论与等差条纹分析判读相结合的方法，这样不仅使条纹判读的概念更清晰，而且可提高条纹分析和级次判读的准确性．     

新型多有源区隧道再生光耦合大功率半导体激光器

针对大功率半导体激光器面临的主要困难,提出并实现了一种隧道再生多有源区耦合大光腔 高效大功率半导体激光器机理.该机理能有效地解决光功率密度过高引起的端面灾变性毁坏 、热烧毁和光束质量差等大功率激光器存在的主要问题.采用低压金属有机化合物气相淀积 方法生长了以碳和硅作为掺杂剂的GaAs隧道结、GaAs/InGaAs 应变量子阱有源区和新型多有 源区半导体激光器外延结构,并制备了高性能大功率980nm激光器件.三有源区激光器外微分 量子效率达2.2,2A驱动电流下单面未镀膜激光输出功率高达2.5W. 关键词： 半导体激光器 大功率 金属有机化合物气相沉积     

焊缝超声相控阵检测数据深度学习降噪方法

超声相控阵检测技术在焊缝检测中具有广泛的应用.超声相控阵检测技术检测信号中常混入噪声导致检测成像时难以分辨真实的缺陷特征.这些噪声主要为无关的反射信号和局部相关的结构噪声,传统的超声图像降噪方法难以有效滤除这些噪声,且存在计算效率低、参数优化复杂等问题.该文提出了一种基于深度学习的焊缝超声相控阵检测技术检测S扫图像的降...     

Enantioselective Nazarov reactions through catalytic asymmetric proton transfer

The development of catalytic asymmetric Nazarov reactions that require only 10 mol % of chiral Lewis acid and proceed with ee's between 72% and 97% is described.     

Efficient Nazarov cyclizations of 2-alkoxy-1,4-pentadien-3-ones

Expeditious and high-yielding Nazarov cyclizations of 2-alkoxy-1,4-pentadien-3-ones are described. An example of a catalytic asymmetric Nazarov cyclization is presented. [reaction: see text]     

A new procedure to enols of 2-acylmethyl-4,4-dimethyl-2-oxazolines underultrasonically dispersed potassium system

Various enols of 2-acylmethyl-4,4-dimethyl-2-oxazolines were prepared in moderate yields via ultrasonically catalyzed reactions of 2,4,4-trimethyl-2-oxazoline with arenecarboxylic esters in the presence of UDP-t-BuCl-i-Pr2NH system.     

STRUCTURE OF YINGZHAOSU C AND D

The structures of yingzhaosu C(3) and D(4) have been determined by spectroscopicanalysis in combination with chemical degradation.     

高吸收ZnSe多晶无镜光学双稳的实验观测

本文对具高吸收的ZnSe多晶材料的增加吸收型光学双稳性进行了实验观测,发现在介质的吸收远高于过去提出的理论判据时,仍能获得双稳输出,并测定了阈值开关功率与光斑尺寸及样品厚度的关系.采用分层模型分析实验结果,定性地解释了实验现象.