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91.
Computational design and screening of promising energetic materials: Novel azobis(tetrazoles) with ten catenated nitrogen atoms chain
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Piao He Jian‐Guo Zhang Le Wu Jin‐Ting Wu Tong‐Lai Zhang 《Journal of Physical Organic Chemistry》2017,30(10)
Density functional theory methods were used to study on 2 N10 compounds, 1,1′‐azobis(tetrazole) and 1,1′‐azobis(5‐methyltetrazole). We systematically investigated 10 novel substituted azobis(tetrazoles) with 10 catenated nitrogen atoms and various energetic groups (–CF3 1 , –C(NO2)3 3 , –N3 5 , –NH2 6 , –NHNH2 7 , –NHNO2 8 , –NO2 9 , –OCH3 10 , –OH 11 , –ONO2 12 ). The optimized geometry, frontier molecular orbitals, electrostatic potential, Infrared and nuclear magnetic resonance spectrum were calculated for inspecting the molecular structure and stability as well as chemical reactivity. The effects of different substituents on the density, enthalpy of formation, heat of explosion, detonation velocity and pressure, and sensitivity of the azobis(tetrazole) derivatives have been investigated. Compound 9 with nitro was found to have remarkable detonation performances (D = 9.61 km/s, P = 42.14 GPa), which are close to the excellent explosive CL‐20. Results show that compounds 1 , 3 , 4 , 7 , 9 , 11, and 12 have high potential to replace RDX. It is surprising that compounds 1 , 3 , 9, and 12 possess better energetic properties than HMX. These novel substituted azobis(tetrazoles) with unique N10 structure may be promising candidates of HEDMs with outstanding performance and acceptable sensitivities. 相似文献
92.
基于高阶累积量矩阵组正交联合对角化的高分辨方位估计方法 总被引:1,自引:0,他引:1
该文提出了一种基于高阶累积量矩阵组正交联合对角化的高分辨方位估计方法。该方法构造了一组高阶累积量矩阵共同来辨识阵列流型矩阵的列空间,进而进行DOA估计。并通过对高阶累积量矩阵组进行联合对角化,得到联合对角化矩阵和对角化后的矩阵组,并重新定义了空间谱。新方法可以处理相干声源,适用于有色噪声环境,且较仅使用单个高阶累积量矩阵的算法具有更高的分辨力,更低的均方根误差和更高的鲁棒性。 相似文献
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94.
We propose and analyze a priority queuing scheme that gives priority in the same class of calls according to their total resource requirements (TRRs). The proposed scheme gives a higher priority to the calls that have a lower TRR over the calls that have a higher TRR. The numerical results show that the proposed priority queuing scheme provides better performance than the traditional queuing schemes in call blocking probability. 相似文献
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Electromagnetic (EM) communication is considered as a suitable physical layer choice for SeaWater. SeaWater EM communication presents advantages over acoustic and optical in shallow water and deep oceans.Theoretical analysis of EM wave propagation in SeaWater helps us to estimate maximum distance covered in SeaWater at multiple depth points up to 5500 m. Mathematics of EM propagation in SeaWater (conducting medium) shows dependence on f (Hz), ? (F/m), and σ(S/m) of transmission medium. This paper presents channel characteristics of EM waves propagation at 1 to 20 MHz frequency through SeaWater based on real time data of SeaWater T (C°) and S(ppt) for averaged decades from 1955 to 2012 up to 5500 m.We estimated SeaWater σ (S/m), ?r (F/m) (using Stogryns model), α (Np/m) (using Helmholtz model), Z(ohms), fT(Hz), vp(m/second), τ(second), and Pr(dBm) (using Maxwell equations and Friis law). Analysis of these parameters against multiple depths of SeaWater and frequencies shows that we can not assume constant σ (S/m) (4), ?r (F/m) (81), fT (Hz) (888 MHz),vp(m/second) (3.33?107), and τ (second) (8.2?10?12) for SeaWater. Estimated Pr(dBm) helped us to analyze that for lower transmission frequencies (means higher ) and for lower σ(S/m), Pr(dBm) decays linearly. While for higher frequencies (means lower ) and for higher σ(S/m), Pr(dBm) faces sudden exponential decay. That negates sudden exponential delay (in general) of Pr(dBm) in SeaWater; it was only possible by assuming constant SeaWater ?r (F/m) and σ(S/m). Our paper illustrates radio frequency communication for SeaWater in 1 to 20 MHz range and also provides comprehensive performance analysis using MATLAB simulation tool. 相似文献
97.
针对中长波红外双波段系统的元件数量多、结构复杂等问题,分析了环形孔径超薄成像系统的结构特点,给出了系统初始结构遮拦比的计算方法,并设计了一种适用于中长波红外双波段的共光路环形孔径超薄成像系统,焦距为50 mm、全视场为14°、F数为1。系统仅由单一光学元件构成,结构简单且光路紧凑,其轴向尺寸与焦距的比值为0.48。在空间频率20 lp/mm处,中波红外3~5 μm波段的全视场调制传递函数大于0.45,长波红外8~10 μm波段的全视场调制传递函数大于0.30,同时实现了?40~80 ℃温度范围内的红外双波段无热化。通过公差分析可知该系统具备可加工性,且基底材料为红外硫系玻璃,可以通过精密模压的方法进行批量化生产。该研究为低成本、小型化红外双波段系统的实现提供了新的思路。 相似文献
98.
We recently developed a constitutive model for magnetic dispersions by modeling the magnetic particles as rigid dumbbells dispersed in a solvent. The theory yielded a constitutive equation in which the stress tensor could be expressed as a function of the velocity gradient, an orientational order tensor, S, an average alignment vector, J, and any imposed external magnetic field, H. The constitutive equation is used here to predict material functions for steady shear flow (shear-rate dependent viscosity and first normal stress coefficient) as well as those for unsteady shear flows (stress growth upon inception of steady shear and small-amplitude oscillatory shear). The importance of effects of concentration, equilibrium nematic ordering in the dispersion, and anisotropy in the hydrodynamic drag are emphasized. Comparisons with available experimental data on viscosity for magnetic inks under steady shear flow and inception of steady shear flow show reasonably good agreement. 相似文献
99.
Lee SG Zhang YJ Piao JY Yoon H Song CE Choi JH Hong J 《Chemical communications (Cambridge, England)》2003,(20):2624-2625
Introduction of imidazolium ionic liquid pattern to the catalyst not only avoided catalyst leaching but also increased the stability of catalyst in ionic liquid, and thus, the Rh-complex of 1,4-bisphosphine bearing two imidazolium salt moieties was successfully immobilized in an ionic liquid and reused several times for the hydrogenation of an enamide without significant loss of catalytic efficiency. 相似文献
100.