苝二酸酐与嘧啶衍生物的氢键组装

用半经验AM1方法对苝二酸酐与嘧啶衍生物的1:1及1:2氢键复合物进行理论研究,表明随着氢键数目增多,弱相互作用能变大,主体上的供电基和客体上的吸电基有利于氢键相互作用,氢键导致电子从主体流向客体.用INDO/SCI方法计算配合物的电子光谱,表明其长波吸收峰与主体相比发生兰移,各配合物的长波吸收峰位置相差不大,与实验一致.讨论吸收峰兰移的原因并对电子跃迁进行理论指认,同时得到了配合物的双质子转移势能曲线,给出了相对于N-H键的过渡态和活化能.     

类氢离子电子碰撞电离截面的扭曲波计算

在扭曲波库仑玻恩交换似近下用编制的计算程序计算了类氢离子Ｈｅ，Ｃ，Ｎｅ，Ｓｉ，Ｃａ，Ｆｅ的电子碰撞电离截面，并将结果与Ｙｏｕｎｇｅｒ的扭曲波结果作了比较。在２％以内本文的结果与Ｙｏｕｎｇｅｒ的结果一致。并详细研究了半经典交换势对电子碰撞电离截面的效应以及沿等电子数序列变化的规律     

乙醇-硫酸铵双水相萃取镉-碘化钾-丁基罗丹明B离子缔合物

以紫外-可见分光光度法为检测手段,研究了乙醇-硫酸铵双水相体系萃取镉-碘化钾-丁基罗丹明B的离子缔合物的最佳条件.在0.5mol·L-1 H2SO4介质中,镉-碘化钾-丁基罗丹明B在乙醇-硫酸铵双水相体系中形成稳定的蓝紫色缔合物.Cd2+在0-3μg/10mL范围内呈线性关系,相关系数r=0.9984,表观摩尔吸光系数ε=1.28×106L·mol-1·cm-1.在最佳萃取条件下,离子缔合物的最大萃取率可达98％,Cd2+能与干扰离子Zn2+、Fe3+、Co2+、Cu2+、Ni2+分离完全.该法不仅灵敏度高、选择性好,而且环保、简便快速、分相清晰,无需进行反萃取,具有很强的实用性.     

Gasdynamic characteristics of toroidal shock and detonation wave converging

Shock wave focusing is a fundamental problem in the shock wave research and the instantaneous impulse of high temperature and pressure generated at the focal points has been applied recently in industrial and medical researches[1]. There are several methods to create shock wave focusing, among which the more commonly-used one is to make a planar shock wave reflect from a concave surface, such as the elliptical or parabolic re- flector. Toroidal shock wave focusing has been proposed and investi…     

Optimization‐free superoscillatory lens using phase and amplitude masks

A superoscillatory focusing lens has been experimentally demonstrated by optimizing Fresnel zone plates (FZP), with limited physical insight as to how the lens feature contributes to the focal formation. It is therefore imperative to establish a generalized viable account for both FZP (amplitude mask) and binary optics (phase mask). Arbitrary superoscillatory spots can now be customized and realized by a realistic optical device, without using optimization. It is counterintuitively found that high spatial frequency with small amplitude and destructive interference are favorable in superfocusing of a superoscillation pattern. The inevitably high sidelobe is pushed 15λ away from the central subwavelength spot, resulting in significantly enlarged field of view for viable imaging applications. This work therefore not only reveals the explicit physical role of any given metallic/dielectric rings but also provides an alternative design roadmap of superresolution imaging. The robust method is readily applicable in superthin longitudinally polarized needle light, quantum physics and information theory.     

Three‐dimensional visible‐light capsule enclosing perfect supersized darkness via antiresolution

Supersized darkness in three dimensions surrounded by all light in free space is demonstrated theoretically and experimentally in the visible regime. The object staying in the darkness is similar to staying in an empty light capsule because light just bypasses it by resorting to destructive interference. A binary‐optical system is designed and fabricated based on achieving antiresolution (AR), by which electromagnetic energy flux avoids and bends smoothly around a nearly perfect darkness region. AR remains an unexplored topic hitherto, in contrast to the super‐resolution for realizing high spatial resolution. This novel scheme replies on smearing out the point spread function and thus poses less stringent limitations upon the object's size and position since the created dark (zero‐field) area reach 8 orders of magnitude larger than λ² in cross‐sectional size. It functions very well with arbitrarily polarized beams in three dimensions, which is also frequency scalable in the whole electromagnetic spectrum.     

三萜皂甙Tanguticoside A的NMR碳氢化学位移全指定

应用2D NMR技术如:DQF-COSY、HMQC、HMBC、ROESY,特别是HMQC-TOCSY技术,对三萜皂甙Tanguticoside A的¹H和¹³CNMR信号进行了全归属.     

ITER 极向场磁体支撑U 型韧性夹焊接方案优化

利用试验及数值模拟技术研究了ITER 极向场磁体支撑U 型韧性夹的焊接变形规律,模拟和实际测量的比较验证了模拟的准确性,从而得到了U 型夹焊缝变形的基本规律,并改进现有夹具类型。基于验证好的热力边界条件以及优化的夹具,对三种焊接方案的U 型韧性夹的焊接变形进行了计算,从而提出了极向场磁体支撑制造的优化方案。优化后的焊接方案将焊接变形控制在0.6mm 以内。     

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.     

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利用试验及数值模拟技术研究了ITER 极向场磁体支撑U 型韧性夹的焊接变形规律,模拟和实际测量的比较验证了模拟的准确性,从而得到了U 型夹焊缝变形的基本规律,并改进现有夹具类型。基于验证好的热力边界条件以及优化的夹具,对三种焊接方案的U 型韧性夹的焊接变形进行了计算,从而提出了极向场磁体支撑制造的优化方案。优化后的焊接方案将焊接变形控制在0.6mm 以内。