RDX晶体形貌的分子模拟与预测

用BFDH （ Bravais-Friedel-Donnary-Harker）和AE（ Attachment Energy）模型预测了α晶形黑索今（α-RDX）的晶体形貌。结果表明,形态学上重要生长面是：（111）,（020）,（002）,（200）和（210）面,其中（111）面是最重要的生长面。 RDX晶体重要生长面结构分析表明,（210）,（002）,（200）和（111）是极性晶面,而（020）是非极性晶面,其中（210）晶面极性最强。根据晶面极性预测在极性溶剂中,（210）面将成为RDX晶体形态上重要生长面,（111）面的重要性降低,而（020）面将会在晶体生长过程中逐渐消失。丙酮溶剂重结晶RDX实验表明,RDX晶体形貌上最终显露的生长面是：（210）,（111）,（002）和（200）面,而（020）面已消失。     

单晶铝孔洞生长的分子动力学模拟

用分子动力学方法模拟不同晶向单轴加载过程中,单晶铝中微纳米孔洞(约1.6 nm)的生长及周围区域的变形过程。为研究晶向对孔洞生长的影响,对具有相同初始孔洞体积分数的两个晶向进行拉伸加载,并对不同温度影响进行研究。结果表明:A晶向(x-[100],y-[010],z-[001])的形变机制主要是{111}晶面部分位错引起的堆垛层错,B晶向(x-[-110],y-[111],z-[11-2])主要是位错的移动与堆积;B晶向比A晶向的位错成核应力大;B晶向屈服应力比A晶向对温度敏感。     

RDX单晶的培养与表征

基于RDX单晶可用于其起爆机理和力学响应机制等基础研究,采用丙酮溶剂缓慢挥发法分别在室温和恒温条件下培养RDX单晶。结果表明：两种方法都可以得到厘米级的RDX单晶,在恒温条件下培养的RDX单晶质地较硬、密度较高;同时,对实验中出现的多种晶体缺陷进行了分析;应用X-射线单晶衍射法测定了恒温条件下培养的RDX晶体结构,表明其晶体属于正交晶系,空间群为Pbca,所得晶体学参数为：a=11.471(3)?,b=10.611(2)?, c=13.146(3)?,α=β=γ=90°,体积V=1600.1(6)nm3,Z=8,密度D=1.844g/cm3,F(000)=912。最终偏差因子R1=0.0309。     

硼酸酯键合剂分子结构及其与RDX晶面相互作用的理论研究

运用量子化学方法计算了5种硼酸酯键合剂（BEBA）的分子结构和分子轨道,发现5种BEBA分子硼原子所处空轨道的能级较高。利用晶面吸附模型和分子动力学方法研究了上述键合剂与RDX（210）、RDX（200）晶面之间的相互作用能,发现键合剂在不同RDX晶面上的结合模式不同且具有选择性。键合剂与RDX（200）晶面的结合能大于其与RDX（210）晶面的结合能。BEBA₁和BEBA₂能够在两个晶面上获得较好的结合能力。BEBA₅在RDX（210）和RDX（200）晶面上相对结合能力相反,即在RDX（210）/BEBA₅中结合最好。推测由于RDX（200）晶面最表层氧原子含量相对较少,有利于甲酰丙酮基上的羰基与RDX上的NO2产生诱导效应,产生很强的结合作用,抵消并补偿了由于BEBA₅中胺氮负电荷减少而造成结合能的降低。     

RDX单晶的生长及加工

单晶研究是深入认识炸药本质特性最重要、最直接的手段.对比研究炸药单晶与粉末炸药或含有缺陷的炸药的力学响应机制、起爆和爆轰机理和规律,对认识炸药降感、起爆等物理过程,为炸药安全性能预估、炸药配方和武器装药设计提供基本性能数据具有重要意义.这些性能的研究几乎都需要厘米级以上的炸药大单晶样品.RDX有α和β两种晶型,武器使用的RDX炸药为α型.由于存在多晶现象,其单晶特别是厘米级以上的大单晶生长非常困难,不同的结晶工艺可能得到不同的晶型.因此,文献对RDX单晶的生长及性能研究很少.RDX单晶的制备主要有两个关键技术,一是如何选择适当的结晶技术和正确的结晶条件,控制得到需要的α晶型;二是晶体生长过程中如何控制缺陷和应力集中并进行晶面调整.本研究以RDX为对象,研究RDX单晶的生长及加工技术,为进行单晶性能研究奠定基础.     

RDX/Al体系热作用下的反应分子动力学研究

采用Reax FF反应分子动力学方法研究RDX分子和包覆有氧化铝薄层的铝粉在热作用下的初始化学反应过程。研究结果表明,无论是Al(111)还是Al_2O_3(1-12)均能引发RDX分子的分解,但RDX/Al_2O_3(1-12)/Al(111)体系在300 K可以稳定存在。RDX分子及其产物的存在增加了Al(111)晶面的稳定性,使体系势能降低,而使Al_2O_3体系势能升高,主要原因是RDX分子中氧原子和铝原子之间存在较强相互作用。新建立的含C、H、O、N和Al 5种元素的力场适用于含铝炸药,这为微观角度揭示RDX/Al体系在冲击作用下的化学反应过程提供了合适的方法。     

粉末X射线衍射内标法研究丙酮溶液中β-HMX的晶习

为了研究β-HMX晶体在丙酮溶液中的晶习,采用丙酮溶剂挥发法制备了β-HMX大单晶,利用粉末Ge O_2作为内标物质,通过粉末X射线衍射内标法,确定了β-HMX晶体所有显露面的晶面指数,从实验上建立了β-HMX在丙酮溶液中的晶习模型,并与文献报道的利用不同生长模型模拟得到的晶习模型进行了比较。β-HMX晶体各个显露面的晶面指数分别为(1 0 0)、(0 1 1)、(-1 1 1)和(0 2 0),其中(1 0 0)晶面为最优生长面,其次为(0 1 1)、(-1 1 1)晶面,再次为(0 2 0)晶面,与溶剂校正后的AE模型模拟得到的β-HMX晶体在丙酮溶液中的晶习模型相符。丙酮分子与β-HMX晶体的(1 1 0)和(0 2 0)晶面的相互作用较弱,导致随晶体生长,(1 1 0)和(0 2 0)晶面逐渐消失,证明溶剂环境对HMX的晶体形貌具有很大的影响。     

3-硝基-1,2,4-三唑-5-酮、1,1-二氨基-2b,2-二硝基乙烯和黑索今对β-奥克托金晶体形貌影响的分子动力学模拟研究

采用Material Studio软件和分子动力学(MD)方法模拟了β-奥克托金(HMX)晶体生长形貌。采用双层结构模型,模拟了钝感含能化合物3-硝基-1,2,4-三唑-5-酮(NTO)、1,1-二氨基-2,2-二硝基乙烯(FOX-7)和黑索今(RDX)对β-HMX晶体形貌的影响,以及3种分子对于β-HMX晶面的附着包覆作用。研究结果表明,3种分子都可附着在β-HMX的生长晶面上,其中FOX-7可以较为均匀地附着在β-HMX晶面,有望实现高能钝感包覆,但是对于β-HMX晶体形貌的影响不大;NTO与RDX分子在β-HMX各晶面的结合能存在差异,可一定程度控制HMX的晶形,其中RDX可以使β-HMX晶体形貌趋于球形化。     

双(2,2,2-三硝基乙基)胺的晶体形貌预测及控制

按照文献方法制备了双(2,2,2-三硝基乙基)胺(BTNA),并通过元素分析、红外和差示扫描量热分析对其结构进行了表征。利用Materials Studio软件中Growth Morphology方法模拟了BTNA的晶体形态和结晶习性,分析了重要晶面的结构与溶剂的关系。结果表明,在极性溶剂中(111)晶面将成为形态学上最重要的晶面,(002)、(102)及(020)的显露面将有所增加,(200)、(021)晶面的重要性降低。而在非极性或弱极性溶剂中,弱极性晶面的重要性增加。采用弱极性溶剂二氯甲烷对BTNA进行了重结晶,扫描电镜结果表明重结晶后的晶体比直接水中制备的晶体的形貌规则化、长径比变小。实验结果与理论预测吻合。     

HMX晶体形貌预测

采用附着能(AE)和BFDH(Bravais-Friedel-Donnary-Harker)模型预测了HMX的β和α晶型的晶体形貌,确定了形态学上重要的生长晶面,β-HMX为(020)、(011)、(10-2)、(11-1)、(100),α-HMX为(040)、(220)和(111).各个晶面的表面结构分析表明,(100)和(111)为强极性晶面,(020)、(011)、(11-1)以及(220)为极性晶面,而(10.2)和(040)为非极性晶面.据此可预测在强极性的质子溶剂中,(100)和(111)将成为形态学上重要的晶面,(020)、(011)、(11-1)以及(220)的显露面可能增加,(10-2)和(040)面则将变小甚至消失,而在非极性溶剂中则可能刚好相反.     

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.     

Method for Measuring Velocity of Warhead Fragments Based on Photoelectric Detection

For measuring velocity and impacting position of single fragment of warhead, a non-contact measuring method is proposed, in which a six-light-screen array, a position indicator, a multi-channel chronograph and a computer are used.The principle of measurement is described. The key device of the system is a light screen array sensor which consists of six light screens allocated with certain geometrical parameters. When the fragment flies through the light screen array, the time of passing through each of the screens is recorded by the multi-channel chronograph. According to the time data and the geometrical parameters of the array, the velocity vector and the location of the fragment can be calculated immediately. The presented method can be used to locate the fragment and to measure the real velocity on its flying direction. It can also be used to measure the velocity of a fragment swarm after the system is engineered further.     

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.     

数码电子雷管中影响点火头性能因素分析

阐述了数码电子雷管中,点火药剂细结晶三硝基间苯二酚铅（LTNR）的制备工艺;从点火药剂的种类、加入黏合剂的质量分数、桥丝直径、点火头的电阻值、防潮漆的蘸涂等方面对点火头性能的影响因素进行了探讨;通过震动试验、并联起爆试验、延期精度检测与考核,试验结果表明：一次性合成的细结晶LTNR是制造数码电子雷管点火头较为理想的点火药剂,按技术要求生产的点火头性能指标能够满足行业标准要求。     

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.     

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.