Xe54+离子与Xe原子碰撞过程中的辐射电子俘获及退激发辐射的理论研究

基于多组态Dirac-Fock理论方法和冲量近似, 对Xe⁵⁴⁺与Xe在197 MeV/u碰撞能量下, 炮弹离子的俘获及退激发过程进行了理论研究. 计算了炮弹离子从中性靶原子俘获一个电子到nl (n=1, 2, 3, 4, 5; l=s, p, d) 轨道上的辐射电子俘获截面和相应的辐射光子能量, 以及俘获末态退激发辐射跃迁的能量和概率. 结合这些计算结果, 进一步模拟了碰撞产生的炮弹离子的退激发X射线谱的结构, 并与兰州重离子加速器装置上的最新实验观测结果进行了比较, 符合得很好.     

电子束放射照相的特性与参数优化

短脉冲强激光产生的电子束具有源尺寸小、脉宽窄、准单能谱等特点, 在放射照相诊断中具有独特作用. 本文通过分析电子在材料中散射并采用蒙特卡罗方法数值模拟, 研究了100 keV到几百MeV能量电子束对有厚度起伏或存在界面的靶的透视, 并与质子、X射线束透视结果比较, 给出了电子束放射照相的特性与参数优化: 基于电子在材料中非弹性散射或能量损失, 选用能量使其射程与靶厚度接近的电子束来诊断靶厚度不均匀性; 基于电子在材料中的弹性散射, 选用射程超过靶厚度的电子束来诊断靶界面.     

Fast Doping of Cu into ZnSe NCs by Hydrazine Promoted Cation Exchange in Aqueous Solution at Room Temperature

Controllable doping is an effective way of tuning the properties of semiconductor nanocrystals (NCs). In this work, a simple strategy of fast doping Cu ions into ZnSe NCs under ambient conditions was proposed. The principle of doping is based on hydrazine (N₂H₄) promoted cation exchange reaction. By direct addition of Cu ion stock solution into the preformed ZnSe NCs, Cu doped ZnSe NCs can be obtained. Furthermore, the emission of doped NCs can be tuned by changing the amount of impurity ion addition. The cation exchange reaction is facilitated by three factors: 1) N₂H₄ addition, 2) fast impurity ions, and 3) partial stabilizer removal. The proposed cation exchange reaction in aqueous solution could be an alternate route for NC doping as well as synthesis of ionic NCs.     

Theoretical kinetic study on the decomposition of 1,5‐diaminotetrazole

1,5‐Daminotetrazole (DAT) is of much interest because of the practical significance and the diversity of characteristics. The study on the decomposition pathway and the kinetics of DAT has been performed based on the quantum chemistry theory. The minimum energy path (MEP) calculation has shown that NH₂N₃ and NH₂CN are the initially detected products of DAT. And the structures of reactant, products and transition state were optimized with MP2 methods using 6‐311G** basis sets, and the energies were refined using CCSD(T)/6‐311G** levels of theory. The calculated rate constants were obtained using the conventional transition‐state theory (TST) and the canonical variational transition‐state theory (CVT) methods. The calculation results indicated that the energy barrier of decomposition reaction is 47.98 kcal mol^?1 and the variational effect is small. In addition, the rate constants and the Arrhenius experience formula of DAT decomposition have been obtained between 200 and 2500 K temperature regions. The fitted three‐parameter expressions calculated using the TST and CVT methods are (TST) and (CVT). This work may provide the theoretical support for further experimental synthesis and testing. Copyright © 2015 John Wiley & Sons, Ltd.     

结构动力学方程数值积分的三参数算法

本文提出计算结构动力响应的三参数单步数值积分法,它具有无条件稳定性质,并具有合适的算法阻尼.通过分析及与其他数值积分法比较,说明本文算法的精度有所提高.     

简单柔性机械臂的构造性逆动力学方法

本文提出了适于简单柔性机械臂的一种基于谱分析的构造性逆动力学方法。数值模拟和实验结果表明，这种方法提供的开环输入力矩，不仅可以实现机械臂特定的刚体转动，而且可以有效地减弱柔性对机械臂精确定位的影响。     

考虑中间主应力效应的损伤钢管混凝土构件承载力分析

混凝土三参数统一强度理论在Haigh-Westgaard空间的偏平面上的边界线为十二边形,通过调整中间主应力的影响系数消除角点的奇异性,根据相关流动准则推导基于标量损伤的弹塑性本构方程,考虑了混凝土材料的随动强化效应,结合塑性损伤理论给出了应力计算的数值方法,编制了相应的Fortran语言程序,并将其用于钢管混凝土构件承载能力的计算,计算结果验证了所用模型的预测能力。     

自适应结构多工况下强度控制的研究

对自适应超静定桁架结构的强度控制问题进行了研究，把模型从单一工况推广到了多工况，实现了理论的完整性，定义了结构工作状态系数， 分析了作动器的联入对结构强度的影响，利用超静定桁架的耦合特性和作动器的调节功能，把强度控制问题转化为数学规划问题，方法简单有效。