5-酮-3-(5'-氨基-3'-偶氮异呋咱)-异呋咱和5,5'-二酮-3,3'-偶氮异呋咱的晶体结构和热稳定性

以二氰胺钠为原料,经环化、偶联、硝化三步反应分别合成了5?酮?3?(5′?氨基?3′?偶氮异呋咱)?异呋咱(BAKIF)和5,5′?二酮?3,3′?偶氮异呋咱(BDKIF)。采用溶剂挥发法从甲醇中得到了BAKIF·2H_2O和BDKIF的单晶。利用X?射线单晶衍射技术对它们的单晶结构进行了表征。用DSC?TG研究了它们的热稳定性。采用EXPLO5预测了它们的的爆轰性能。结果表明,BAKIF·2H_2O分子在173 K下晶体密度为1.645 g·cm~(-3),该晶体属于正交晶系,P2_12_12_1空间群,晶胞参数为a=4.6661(4)?,b=13.5836(10)?,c=14.8537(10)?,V=941.46(12)?~3,Z=4,μ=0.149 mm-1,F(000)=480。BDKIF分子在173 K下晶体密度为1.708 g·cm~(-3),该晶体属于三方晶系,R?3空间群,晶胞参数为a=20.4183(12)?,b=20.4183(12)?,c=4.8017(7)?,V=1733.7(3)?~3,Z=9,μ=0.153 mm~(-1),F(000)=900。5℃·min~(-1)时,BAKIF和BDKIF的放热峰温度分别为290.01℃和149.75℃。BAKIF的理论爆速和理论爆压分别为7292 m·s~(-1)和21.5 GPa,BDKIF的理论爆速和理论爆压分别为7363 m·s~(-1)和20.7 GPa,均优于TNT,认为它们是潜在的钝感含能材料。     

RDX单晶的生长诱导位错表征

采用溶剂蒸发法,以丙酮为溶剂,在一定结晶条件下可获得晶体质量好的厘米级RDX大单晶(约40 mm×40 mm×30 mm)。用高分辨X射线三晶衍射(TAXRD)摇摆曲线(ω扫描) 研究了RDX单晶的生长诱导位错,用Split Pearson Ⅶ分析函数并对摇摆曲线进行了拟合,得到(210)、(200)和(111)晶面的摇摆曲线半高宽(FWHM),其值分别为35.35 arcsec , 45.31 arcsec和77.92 arcsec,说明(111)晶面的位错密度最大,线生长速度最快; (210)晶面的位错密度最小,线生长速度最慢,RDX单晶呈现出各向异性。      

耐热炸药ZXC-20的合成与性能

以2,3,4-三氟硝基苯为原料,采用硝化、成环及再硝化三步反应合成了12,52-二氟-1^4,1^6,3^4,3^6,5^4,5^6,7^4,7^6-八硝基-2,4,6,8-四氧桥连-1,3,5,7(1,3)-杯[4]芳烃(ZXC-20)。采用溶剂挥发法得到ZXC-20·EtOH的单晶,并利用X射线单晶衍射技术表征了该单晶结构。用全自动真密度仪和综合热分析仪测定该化合物的密度和热稳定性,并采用EXPLO5 v6.01程序预测了其爆轰性能。结果表明,ZXC-20晶体属于P1空间群,晶胞参数为a=10.620(6)?,b=10.641(6)?,c=16.549(12)?。V=1524.5(16)?^3,Z=2,F(000)=788.0;在298 K下,ZXC-20的实测密度为1.912 g·cm^-3,热分解温度为333.76℃,理论爆速和理论爆压分别为8070 m·s^-1和29.5 GPa,均优于TATB,是一种潜在的含氟耐热炸药。     

NTO·（3，5-DATr）含能离子盐和NTO/IMZ含能共晶的制备、晶体结构及性能

为改善钝感炸药3?硝基?1,2,4?三唑?5?酮(NTO)的酸性,将NTO分别与3,5?二氨基?1,2,4?三唑(3,5?DATr)、咪唑(IMZ)反应,制备得到了NTO·(3,5?DATr)含能离子盐(Ⅰ)和NTO/IMZ含能共晶(Ⅱ)。通过溶剂挥发法培养得到了单晶,利用X?射线单晶衍射仪确定了其晶体结构。晶体Ⅰ属于单斜晶系,空间群为P21/c,Mr=229.19,晶胞参数a=3.5687(7)?,b=17.245(3)?,c=14.655(3)?,β=93.79(3),V=899.9(3)?³,Z=4,D_c=1.692 g·cm^-3;晶体Ⅱ属于正交晶系,空间群为Pbcn,Mr=207.17,晶胞参数a=16.9398(16)?,b=5.6802(5)?,c=17.9111(19)?,V=1723.4(3)?³,Z=4,D_c=1.597 g·cm^-3。采用差示扫描量热法(DSC)和热失重法(TG)研究了其热分解行为,结果表明二者均具有良好的热稳定性。运用Gaussian 09程序对化合物结构进行优化并计算其生成焓,用EXPLO 5软件对二者的爆速和爆压进行了评估(Ⅰ:D=7662.3 m·s^-1,p=21.0 GPa;Ⅱ:D=6490.2 m·s^-1,p=14.6 GPa)。采用BAM方法测试了其机械感度,结果表明,二者均对撞击和摩擦钝感(IS>40 J,FS>360 N)。利用pH计测试了化合物标样的pH值,在0.01 mol·L^-1的标准溶液中NTO,Ⅰ和Ⅱ的pH值分别为2.92(22.8℃),4.10(22.7℃),4.98(22.8℃),表明盐和共晶的形成在一定程度上改善了NTO的酸性。     

4-硝基吡唑的一锅两步法合成及其晶体结构

以吡唑为原料,在98%发烟硝酸/20%发烟硫酸体系下通过一锅两步法合成了4-硝基吡唑(4-NP),采用红外光谱、核磁共振波谱、高分辨质谱、元素分析等手段对目标产物进行了结构表征。用X-射线单晶衍射仪测定了其单晶结构。研究了物料比、反应温度、反应时间对产品收率的影响。结果表明,较佳的合成工艺为:n(发烟硝酸)∶n(发烟硫酸)∶n(浓硫酸)∶n(吡唑)=1.5∶3∶2.1∶1,反应温度为50℃,反应时间1.5 h,收率最高为85%。4-NP的单晶结构属于三斜晶系,空间群为P-1,晶胞参数为a=8.0329(11)?,b=9.6305(8)?,c=9.9036(8)?,α=74.393(7)°,β=81.560(9)°,γ=83.196(9)°,V=727.40(13)?~3,Z=6,ρ=1.549 mg·mm~(-3),μ=0.132 mm~(-1),F(000)=348。     

3,4-二（3-氰基氧化呋咱基）氧化呋咱合成、晶体结构与性能

以3,4-二氰基氧化呋咱为原料,利用氰基的多步官能团转化合成了联三氧化呋咱含能化合物3,4-二(3-氰基氧化呋咱基)氧化呋咱(BCTFO).利用红外光谱、核磁共振、元素分析对产物结构进行了表征,结合GIAO法理论模拟,完成了13C NMR和15N NMR谱的归属研究.首次培养了适合单晶X-射线衍射分析的BCTFO单晶,测试结果发现BCTFO属于单斜晶系,空间群为C2/c,a=19.742(4)?,b=8.851(2)?,c=29.275(7)?,V=4951.3(19)?3,Z=8,ρ=1.75 g?cm-3,F(000)=2600,S=1.043,R1=0.0491,wR2=0.1375.基于实测密度(ρ=1.76 g?cm-3)和预估生成焓(ΔfH(s)=806.7 kJ?mol-1),利用Explo5(V6.04)软件预估BCTFO的爆速(D)和爆压(P)分别为8086 m·s-1和27.3 GPa.采用差示扫描量热仪(DSC)和热重分析仪(TG)研究了BCTFO的热分解过程,其热分解峰温为235.4℃.按BAM标准方法测试BCTFO的感度,其撞击感度为16 J,摩擦感度为330 N.     

高致密球形黑索今晶体结构对高聚物粘结炸药安全性能的影响

为探索炸药晶体结构对其安全性能的影响,通过分子动力学模拟和实验相结合的方法开展高致密球形黑索今（RDX）晶体结构对高聚物粘结炸药（PBX）安全性能影响的研究。采用X射线 单晶衍射测试高致密球形RDX的晶体结构,并根据晶体结构数据,通过分子动力学模拟方法对比高致密球形RDX和普通RDX基PBX的安全性能。为验证分子动力学模拟结果的准确性,制备以高致密球形RDX和普通RDX为基的浇注PBX,采用直接起爆法和卡片式隔板法测试浇注PBX的雷管感度和冲击波感度。分子动力学模拟与实验结果表明：高致密球形RDX是内部缺陷少、形状趋于球形的单晶体,晶胞密度较普通RDX提高2.6%;高致密球形RDX基PBX比普通RDX基PBX的结合能提高289.30 kJ/mol,内聚能密度提高0.022 kJ/cm³、引发键最大键长减小0.02 ,高致密球形RDX基PBX的安全性能更好;在配方比例相同条件下,高致密球形RDX基浇注PBX的雷管感度和冲击波感度比普通RDX基PBX确实有所降低,与分子动力学模拟结果相符,验证了模拟计算的准确性。     

4-羟基-3,5-二硝基吡唑胍盐的合成、晶体结构及性能

为了获得性能优良的含能材料,以4-氯吡唑为原料,经硝化、水解、酸化及成盐反应合成了一种新型含能离子盐4-羟基-3,5-二硝基吡唑胍盐(DNPOG),采用红外光谱、核磁共振分析及元素分析对其结构进行了表征,培养得到了DNPOG单晶,晶体结构为三斜晶系,空间群为P-1,相对分子质量Mr=233.17 g·cm-1,晶胞参数a=4.8958(5)?,b=8.1933(8)?,c=11.9669(11)?,Z=2,晶体密度Dc=1.750 g·cm-3;计算研究了DNPOG晶体中的氢键及π-π共轭作用对其分子间相互作用力的贡献,其氢键占比为47％;采用差式扫描量热仪(DSC)和热失重仪(TG)研究了其热分解特性,其第一分解峰温为212.5℃;研究了DNPOG爆轰与安全性能,爆速7871 m·s-1、爆压23.8 GPa、生成焓为-160.2 kJ·mol-1、撞击感度20 J、摩擦感度240 N.研究结果表明,DNPOG为层状堆积,热稳定性较好、感度较低,是一种性能优良的低感炸药.     

4,4′-二(氯偕二硝基甲基)-3,3′-偶氮呋咱的晶体结构和热稳定性

为了获得4,4'-二(氯偕二硝基甲基)-3,3'-偶氮呋咱(BCNAF)的晶体结构,以4,4'-二氰基-3,3'-偶氮呋咱为原料,经三步合成了BCNAF。以无水甲醇为溶剂,采用溶剂挥发法获得了目标化合物的黄色块状单晶。利用X-射线单晶衍射技术对单晶结构进行了表征。结果表明,该分子在293(2)K下晶体密度为1.869 g·cm~(-3),单晶结构为单斜晶系,空间群为P2_1/n,晶胞参数为a=7.5846(14),b=8.4227(15),c=12.324(2),β=90.880(4)°,V=787.2(2)~3,Z=2,μ=0.494 mm~(-1),F(000)=440。分子结构高度对称,分子间存在的π-π堆积作用以及卤键作用,可以提高BCNAF的稳定性。用差热扫描量热对晶体进行热分析,结果表明其分解温度为142℃。基于Guassian 09和等键反应计算得到其固相生成热为816.5 k J·mol~(-1),优于RDX。采用EXPLO5预测其理论爆速为8400 m·s~(-1),爆压为30.8 GPa,与RDX相当。     

4，8-二（2，4，6-三硝基-3，5-二氨基苯基）双呋咱并吡嗪的合成与性能

为探索兼具良好耐热性能和安全性能的新型含能材料,以1-氯-2,4,6-三硝基-3,5-二氨基苯和4H,8H-双呋咱并吡嗪为原料,经取代反应合成了4,8-二(2,4,6-三硝基-3,5-二氨基苯基)双呋咱并吡嗪(NADFP)。采用核磁共振(氢谱、碳谱)、红外光谱、元素分析等测试方法对化合物结构进行了表征。通过溶剂挥发法培养获得NADFP与N,N’-二甲基甲酰胺(DMF)溶剂合物的单晶NADFP·DMF,利用X-射线单晶衍射法进行解析。结果表明,NADFP·DMF属单斜晶系,P2₁/c空间群,a=7.854(3)?,b=18.466(6)?,c=11.093(3)?,ρ=1.640 g·cm^-3。使用Hirshfeld表面分析法计算了分子内/分子间作用力,显示氢键占比高达53.5%。采用差示扫描量热法(DSC)和热失重法(TG/DTG)研究了NADFP的热分解性能,结果显示热分解峰温为337.2℃和368.8℃。研究了NADFP的理论爆轰性能和机械感度,密度为1.81 g·cm^-3,固相生成热827.1 kJ·mol     

Nitrosation and Nitration of Tetraacetyldibenzylhexaazaisowurtzitane

Tetraacetyldibenzylhitane (TADBIW) was subjected to debenzylation by nitrosating with inorganic materials available commercially to synthesize tetraacetyldinitrosohexaazaisowurtzitane (TADNSIW). TADNSIW was purified, and its structure was determined by FTIR, 1H NMR, MS and element analysis. The debenzylation reaction of TADBIW gave quantitative benzaldehyde as a by-product. This indicates that the reaction produces an imine cation as an intermediate. Hexanitrohexaazaisowurtzitane (HNIW) was prepared from unpurified TADNSIW with the yield over 96.0 % and the purity more than 98.0 %. And the mechanism of the reaction from TADNSIW to HNIW is proposed to be oxidation of nitroso and nitration of acetyl on the molecule of TADNSIW, This reaction system involved is simple, and the reaction can complete within a short time and under mild conditions. The product can be easily to separate and the waste disposed readily.     

A Robust Algorithm for Watermarking 2D Vector Maps with Low Shape-Distortions

The technique of watermarking has been introduced into 2D vector maps for many potential applications such as protecting the copyright of important GIS （geographical information system） data and tracing the data source of military maps. In most previous works, although the validity of the map data could be preserved during the embedding procedure, the shape-distortions of the map elements are usually neglected which would tend to degrade the invisibility of the watermarking schemes. A shape-preserving algorithm for watermarking 2D vector maps is presented in this paper. A 1D distance sequence extracted from the original map is adopted as the cover data instead of 2D coordinates. A watermark bit is represented by changing the distributions of the cover data. The embedding procedure induces lower shape-distortions than in former works. Experimental results indicate better invisibility of the proposed scheme, as well as its robustness to certain attacks such as map simplification, interpolation, additive noise and most geometric transforms.     

Open Rule-setting System Applied to Conceptual Design of Engines

Open rule-setting method advanced in this paper concentrates on providing designers of engines with a convenient way to express their design innovations and develop the expected prototypes in the early CAD stage, and constitute effective models for the following analysis process of CAE and CAPP. The problems arisen in the process of conceptual design with the traditional experience-based development method are analyzed. Based on those analyses, open rule-setting method is presented and some associated technical problems are discussed. The functional framework of open rule-setting system was built as software engineering methods. The speciality of the engine product as a kind of complex product and the requirement of the engine product based on its structural particularity to rule-setting system are considered carefully. A demonstration is supplied to illustrate how the open rule-setting method enhances the efficiency and quality of the engine conceptual design.     

Research on Linux Network Device Driver

By analyzing the working principle of Linux network device driver, discussing the Linux network driver structure and its key technologies, the general network driver structure and its design methodologies in Linux system are summarized. Through modifying the network device driver of Linux device driver 3rd version snull, c and improving the COW technology, the Zero-Copy technology in Linux （kernel version 2.6.11 ） is implemented. In the end, the success test tells us that the thorough analysis of network device driver is the foundation of many applications, and it also provides a certain improvement to a lot of real applications, even to military application development.     

Improvement and Experiment of the Reamer in Vibra Cutter Against Wave Edge of Titanium Sheet Alloy Parts

By analyzing the influencing factors of part quality making of sheet alloy of titanium by vibra cutter, the shape of upper reamer is set as cylinder and wedge-shaped form, and the lower reamer as plain and hemicycle form, and its main structural parameters are defined as well. Then it is validated further that such improved vibra cutter reamer can be used to process curve-edged parts of titanium alloy sheet. The experimental result shows that the titanium alloy sheet parts processed by above equipment have no sharpen angles for convex parts and evident crevasse of concave-edged part. In summary, such improvement can eliminate the free-waved edge and improve the manufacture quality of titanium alloy sheet parts greatly.     

Experimental Study on the Small Flyer Initiating Behavior of Fine-grained Explosives

The initiating behavior of fine-grained explosives by small flyer is studied. The diameter of small flyer in this device is 1 ram. The test results indicate that the granularity of explosives has great effect on its flyer initiating sensitivity.The flyer initiating sensitivity of the fine-grained explosives is higher and the critical initiating energy is lower than that of common explosives. For common explosive, the flyer initiating sensitivity increases as the density is reduced. But for the fine-grained explosive, the test results are exactly opposite.     

Stability of the Third Generation Intensifier under Illumination

The stability under illumination of transmission-mode GaAs photocathode sealed in the third generation intensifier is investigated by use of spectral response testing instruments. The variations of spectral response with the illumination times under weak and intense illumination are compared. The variations of photoemission performance parameters are also characterized. The results show that during initial several weak illuminations photocathode behaves no evident decay and a maximum sensitivity is achieved, while under intense illumination the sensitivity of photocathode begin to decrease largely at the first illumination. The calculated performance parameters show that the variation of surface escape probability with illumination times is a direct cause of instability of photocathode. It is also found that under intense illumination peak wavelength is moved towards short-wave and peak response is decreased, which shows that the ability of long-wave response of photocathode is decreased.     

Algorithm for Multi-laser-target Tracking Based on Clustering Fusion

Multi-laser-target tracking is an important subject in the field of signal processing of laser warners. A clustering method is applied to the measurement of laser warner, and the space-time fusion for measurements in the same cluster is accomplished. Real-time tracking of multi-laser-target and real-time picking of multi-laser-signal are introduced using data fusion of the measurements. A prototype device of the algorithm is built up. The results of experiments show that the algorithm is very effective.     

Robust Graded Sliding Mode Tracking Control for Low Speed Spinning Ballistic Missiles

The nonlinear dynamic model of spinning ballistic missiles is established during the first boosting phase of the missile. Based on the conventional backstepping sliding mode control and the assumption of a two time-scale separation of missile dynamics, a graded sliding mode controller is designed with two sub-sliding surfaces which have invariability to external disturbances and parameter perturbations, and a matrix which comprises three first order low pass filters is introduced to prevent ＂explosion of terms＂. Owing to the upper bounds of the uncertainties are difficult to obtain in advance, adaptive laws are introduced to estimate the values of the uncertainties in real-time. Eventually, the numerical simulation results given to show the proposed controller can ensure the steady flight of missiles.     

A Study on the Estimation of Aeroheating upon the Warhead Nose at Supersonic Speed

An expression for estimating the aeroheating on a warhead nose at different supersonic speeds is proposed by incorporating CFD （computational fluid dynamics） and the least-square method. Compared with the traditional estimation formula, the expression is more accurate, convenient and can be used in the optimized design of warheads. The error from the result obtained in the test of a ball cartridge flight is less than 3 %. It satisfies the engineering requirements.