Computational studies on two novel energetic nitrogen‐rich compounds based on tetrazolone

Two novel energetic nitrogen‐rich compounds 1,4‐diaminotetrazol‐5‐one ( DATO ) and 1,4‐dinitrotetrazol‐5‐one ( DNTO ) were proposed first and studied by quantum chemistry method with B3LYP/6‐31G* level of theory. The optimized geometry, IR predicted spectrum and thermochemical parameters, frontier molecular orbitals and molecular electrostatic potential were calculated for inspecting the electronic structure, molecular stability and chemical reactivity. The important macroscopic properties including density, enthalpy of formation, detonation parameters and impact sensitivity have been predicted as well. As a result, two designed compounds DATO and DNTO possess positive enthalpy of formation (395.79 and 342.77 kJ/mol), impressive detonation parameters (D = 8.80 km/s, P = 33.69 GPa; D = 8.89 km/s, P = 34.98 GPa) superior to the remarkable explosive RDX, acceptable sensitivities and might be promising candidates of energetic materials. Copyright © 2015 John Wiley & Sons, Ltd.     

干涉型光纤传感器相位生成载波解调方法改进与研究

提出了基于干涉型光纤传感器的相位生成载波解调方法（PGC）的改进方法,通过算法上的改进和增加抗混叠滤波器,有效地改善了解调结果,并大大降低了系统的采样频率,结论对设计干涉型光纤传感器解调系统有重要的参考意义     

飞秒脉冲振幅和相位的无干涉条纹重构法测量

对作者所提出的无干涉条纹直接电场重构测量飞秒脉冲的振幅和相位的新方法作出进一步理论分析，并通过实验测量说明该方法的优越性.该方法克服了传统的SPIDER方法的弊病，能得到一组无干涉条纹的图像，排除传统方法必须使用傅里叶变换滤波消除干涉条纹而引进的系统误差，使得该方法能够采用较简便设备且能较准确测量飞秒脉冲强度轮廓和相位.最后给出同一条件下新方法和传统SPIDER方法分别重构的脉冲强度自相关曲线与实验测量结果的比较，以说明新方法的有效性和优越性.     

傅里叶变换中红外光谱法检测脑膜瘤的研究

采用傅里叶变换衰减全反射中红外光谱法检测了24例液氮冻存的脑膜瘤离体样品(其中良性肿瘤12例,有恶性倾向的肿瘤12例),对得到的红外光谱进行整理分析,发现不同类型脑膜瘤组织(如纤维型脑膜瘤和内皮型脑膜瘤)的红外光谱存在着差异,并且同一种类型的脑膜瘤组织,其恶性倾向的程度不同,他们的红外光谱也表现出较为明显的区别,因此,我们可以从各个特征吸收峰的峰位、峰形及峰强等信息的变化来区分脑膜瘤,并可以初步鉴别脑膜瘤的性质;研究结果发现,通过某些特征吸收峰(如1 160cm-1)峰位的变化来鉴别脑膜瘤的性质与病理诊断结果的符合率大于85%,说明傅里叶变换衰减全反射中红外光谱法有可能发展成为一种对样品无损伤、快速的脑肿瘤诊断新方法。     

神龙二号热阴极注入器束流调试

神龙二号注入器是一台感应叠加型强流脉冲电子束源,采用热阴极工作模式,为神龙二号加速器提供间隔可调的三脉冲电子束。该注入器的束流调试采取PIC模拟和实验调试交互验证、互相促进的方式,先是通过束斑测量确定引导线圈磁场的加载范围,然后通过PIC方法逐级梳理阳极段束线各线圈的磁场配置,再通过束斑测量加以确认。通过这种束流调试方法,获得了保持束流脉冲平顶完整通过的三种磁场配置,以适应下游加速段束流传输的不同要求。讨论了影响束流调试效果的因素,认为提升神龙二号注入器性能的关键是进一步改进大面积热阴极发射的均匀性。     

Probing Proteins in Solution by Xe NMR Spectroscopy

The interaction of xenon with different proteins in aqueous solution is investigated by ¹²⁹Xe NMR spectroscopy. Chemical shifts are measured in horse metmyoglobin, hen egg white lysozyme, and horse cytochrome c solutions as a function of xenon concentration. In these systems, xenon is in fast exchange between all possible environments. The results suggest that nonspecific interactions exist between xenon and the protein exteriors and the data are analyzed in term of parameters which characterize the protein surfaces. The experimental data for horse metmyoglobin are interpreted using a model in which xenon forms a 1:1 complex with the protein and the chemical shift of the complexed xenon is reported (Locci et al., Keystone Symposia “Frontiers of NMR in Molecular Biology VI”, Jan. 9–15, 1999, Breckenridge, CO, Abstract E216, p. 53; Locci et al., XeMAT 2000 “Optical Polarization and Xenon NMR of Materials”, June 28–30, 2000, Sestri Levante, Italy, p. 46).     

基于光子筛的软X光谱仪

 介绍了采用新型软X光谱学光子筛作为分光元件的软X光谱仪的原理和结构参数设计。新谱仪理论测量范围为100 eV~2 keV,光谱分辨力达0.35 nm。应用该谱仪在SILEX-Ⅰ装置上测量了飞秒激光与固体铜靶相互作用产生的X射线发射谱。实验结果表明,该谱仪主要性能指标达到设计要求,适合于激光与等离子体相互作用产生的软X射线研究。     

140GHz大功率交错双栅行波管的设计和模拟研究

采用交错双栅结构,结合带状电子注,研究了一种工作在140 GHz频段的大功率行波管. 本振模数值计算表明该结构具有良好的色散特性和耦合阻抗.针对所采用的慢波结构, 提出了慢波过渡结构、输入输出耦合器和集中衰减器,保证了行波管的良好工作. 利用三维大信号模拟计算的方法得到的结果显示,当电子注直流功率为5.115 kW,输入信号功率为0.1 W时, 所研究的行波管能在132-152 GHz范围内提供大于300 W的峰值功率,其中在138 GHz时得到最大功率546 W, 对应增益为37.37 dB.当在0.027-0.46 W内调节输入信号功率,可以保持该行波管在128-152 GHz 频带内得到大于440 W的峰值功率,对应的电子效率大于8.6%. 结果显示该行波管将在大功率短毫米波领域具有重要意义和潜在应用价值.