Effect of hydrogen introduced by channelling implantation on the microstructures in silicon wafers

High-resolution transmission electron microscopy has been employed to study the platelet defects before annealing and the extended defects generated by annealing in the channelling-implanted silicon wafers. It has been found that there apparently appear platelet defects of quite great size and spacing at the maximum projected range of ions (R _max). Additionally, the cracks induced by annealing at 550 °C are generated around R _max instead of the average projected range of ions (R _p) as it is in the non-channelling-implanted samples. Moreover, after annealing at 1000 °C, cracks without branches and cavities arranging in a single array, different from the forked cracks and cavities arranged in several arrays in the non-channelling-implanted samples, are observed in the channelling-implanted silicon wafers. It is suggested that those special microstructure characteristics are ascribed to the channelling effect of implanted hydrogen ions.     

基于交换耦合模型纳米双相(硬磁/软磁)自旋体系的磁性

采用MonteCarlo方法对由异类自旋组成混合Heisenberg自旋体系进行了数值计算,以模拟和预测基于交换耦合模型纳米双相(硬磁软磁)磁性体系的磁性.区别于以往所报道的那些直接针对硬磁NdFeB与软磁纳米αFe复合磁体的微磁学计算工作,着眼于符合Heisenberg模型的两类完全不同的原子自旋集团(硬磁自旋和软磁自旋)之间的直接交换耦合作用,模拟计算了由这两类自旋组成的复合自旋体系的内禀矫顽力Hc、剩余磁化强度Mr、最大磁能级(M×H)max等宏观磁性参量随软磁自旋集团的尺度和体积百分比、两类自旋集 关键词： Heisenberg模型 MonteCarlo模拟 纳米复合磁体 Nd-Fe-B     

Implementation of a Nonzero-order Joint Transform Correlator Using Interferometric Technique

The implementation of a nonzero-order joint transform correlator using the double port Mach-Zehnder interferometric technique is proposed and demonstrated. This approach provides on-line processing for directly removing the zero-order components of a joint power spectrum in one step and performs the nonzero-order optical correlation. Experimental results are presented and discussed.     

基于比例积分控制原理预测钻井全过程原始地层温度的新方法研究

应用比例积分控制原理将瞬态传热模型预测结果与出口 温度实测数据逐步进行反馈可准确预测原始静态地层温度. 为此, 本文基于井下各控制组件质量、动量及能量守恒原理, 建立了实际井身结构与钻具组合条件下循环和停止循环期间井筒-地层温度分布全瞬态传热模型, 应用全隐式有限差分法进行求解, 并引入比例积分控制原理对比分析实测温度与预测温度的误差范围进而精确、 快速获取原始地层温度. 结合一口深井基础数据计算表明, 套管下入深度改变了井筒-地层间热交换效率, 进而影响了近井壁地层温度分布状况; 同时, 钻井过程中循环和停止循环作业过程改变了井下各控制组件的初始条件与边界条件, 致使近井壁原始地层温度分布距离产生变化. 建立的数学模型和研究方法可为石油钻井、地热井开采及地球深部原始地层温度信息准确、 经济、快速获取提供理论基础. 关键词： 原始地层温度 循环与停止循环 瞬态传热模型 比例积分控制原理     

KDP晶体固-液界面吸附行为的分子模拟研究

通过构建晶体表面-KDP分子界面吸附结构模型, 采用分子动力学和密度泛函计算方法研究KDP分子在(001)和(010)面吸附的物理化学过程, 考察了温度对物理吸附行为的影响. 研究表明: KDP晶体表面的吸附过程和生长习性主要由化学吸附主导, 化学吸附能的计算表明[K-O₈]基元在(001)界面的结合能是(010)界面结合能的2.86倍; 在饱和温度附近, [H₂PO₄]^-阴离子在KDP界面的物理结合能随温度的变化呈现振荡特征, 溶液中有较多的离子团簇形成, 溶液变得很不稳定; 当温度从323 K降低至308 K时, 水分子在界面的结合能总体呈下降趋势, 而KDP分子在界面的吸附能总体呈上升趋势, 脱水过程是水分子和[H₂PO₄]^-阴离子在固液界面边界层竞争吸附的结果. 研究结果对确足晶体生长界面动力学过程发展和完善晶体生长理论有重要意义. 关键词： 分子动力学 双层结构模型 结合能     

立方钙钛矿RbZnF3电子、弹性和光学性质的第一性原理研究

基于密度泛函理论和赝势平面波方法研究了立方钙钛矿RbZnF3的电子结构和光学性质;利用静水有限应变技术计算研究了RbZnF3弹性常数Cij、体积弹性模量B和剪切模量G随压力的变化关系。基态下,RbZnF3晶格常数a和体积弹性模量B0计算值与实验值以及其他理论值一致。根据能带结构、总态密度以及分波态密度分析可知：基态下立方钙钛矿结构RbZnF3为间接带隙半导体材料,带隙为3.57eV,与其他计算结果比较,本文计算结果偏低,这是由于局域密度近似(LAD)或广义梯度近似(GGA)交换关联函数的局限性所致。基态下RbZnF3的Mulliken电荷分布和集居数说明：RbZnF3属于共价键和离子键所形成的混合键化合物;RbZnF3的电荷总数主要来源于Rb 4s和4p轨道,Zn 3d轨道,以及F 2s和2p轨道。电荷主要从Rb, Zn原子向F原子转移。同时,本文还计算研究了RbZnF3的光学介电函数、吸收系数、复折射率、能量损失谱和反射系数等光学性质。     

Highly efficient diode-pumped actively Q-switched Nd:YAG-SrWO(4) intracavity Raman laser

A highly efficient diode-pumped actively Q-switched intracavity Raman laser with SrWO(4) as the Raman-active medium is presented. As high as 23.8% diode-to-Stokes optical conversion efficiency is obtained with an incident pump power of 7.17 W and a pulse repetition rate of 15 kHz.     

Optical properties of Dy ions in sodium gadolinium tungstates crystal

Dy³⁺-doped NaGd(WO₄)₂ crystal with sizes of about Φ20×40 mm² was grown by the Czochralski technique along the (0 0 1) orientation. Polarized absorption spectra, fluorescence spectra, and fluorescence decay curve of Dy³⁺-doped NaGd(WO₄)₂ have been recorded at room temperature. Based on the Judd-Ofelt (J-O) theory, the intensity parameters from the measured line strengths were evaluated. The J-O parameters were used to predict radiative transition probabilities, radiative lifetimes and branching ratios for various excited levels of Dy³⁺-doped NaGd(WO₄)₂ crystal. The luminescent quantum efficiency of the ⁴F_9/2 level was determined to be approximately 63% for this material. The emission cross-section of the ⁴F_9/2→⁶H_13/2 transition was estimated by using the Füchtbauer-Ladengurg method.     

NO dissociation pathways on Rh(1 0 0), (1 1 0), and (1 1 1) surfaces: A comparative density functional theory study

The chemisorption and dissociation pathways of NO on the Rh(1 0 0), (1 1 0), and (1 1 1) surfaces are studied by the plane-wave density functional theory (DFT) with CASTEP program. In addition, the electronic and geometrical effects that affect the NO dissociation reactions have been investigated in detail. The calculation results are presented as following: The effective activation energies of the best NO dissociation pathways on the Rh(1 0 0), the Rh(1 1 0), and the Rh(1 1 1) are 0.63, 0.66 and 1.77 eV, respectively. The activity of the Rh planes for NO dissociation is in the order of Rh(1 0 0) ≈ Rh(1 1 0) > Rh(1 1 1). The low dissociation barrier for Rh(1 0 0) and Rh(1 1 0) is associated with the existence of a lying-down NO structure which acts as a precursor for dissociation. By Mulliken population analysis and structure analysis, both electronic and geometrical effects are found to affect the NO dissociation reactions, but the geometrical effect exceed the electronic. The energy decomposition scheme has been used to provide further insight into the NO dissociation reactions. Based on the calculations, the interaction energy between N and O in the transition state on the Rh(1 1 1) is found much larger than that on the Rh(1 0 0) and the Rh(1 1 0). The major differences of should originate from the variation of the bonding competition effect.