三氨基三硝基苯基高聚物粘结炸药热力学性质的理论计算研究

高聚物粘结炸药(PBX)的热力学性质是用于炸药结构响应、安全性评估、数值模拟分析等的重要参数.由于PBX结构的多尺度特性,完全采取实验方法精细表征这些参数存在巨大的挑战.本文运用第一性原理和分子动力学计算的方法,系统研究了三氨基三硝基苯(TATB)基高聚物粘结炸药的热力学参数和界面热传导性质.利用散射失配模型研究了TATB与聚偏二氟乙烯(PVDF)界面的热传导过程,发现热导率随温度升高而上升,并且在高温情况下接近于定值.基于分子动力学获得的TATB热导率并结合界面热导率,分析了PBX炸药的热导与颗粒尺寸的关系,当颗粒尺寸大于100 nm时,界面热阻对于PBX热导率的影响有限.     

高温高压下高能钝感炸药TATB物性及相关实验技术研究进展

1,3,5-三氨基-2,4,6-三硝基苯(TATB)作为典型的高能钝感炸药之一,在民用、军工等领域具有重要的研究价值。基于科学挑战专题,分别从实验技术和实验成果两方面详细概述了极端条件下TATB的物性研究进展,系统介绍了课题组自主设计和搭建的光谱测试系统和高温高压仪器装置,以及TATB在高压下的光吸收和结构演化规律。另外,还对低温环境下炸药的结构稳定性、高温环境下炸药的热稳定性以及压力参量对样品化学分解进程和热分解机制的影响进行了阐述和讨论。     

低温等离子体对氟橡胶表面改性

低温等离子体技术(Low Temperature Plasma technique，LTP)是近年来发展较快的一门材料表面改性技术，本研究采用LTP技术对氟橡胶进行表面改性，考察了改性后的氟橡胶应用于三氨基三硝基苯炸药(TATB)为基的PBX体系中(TATB-PBX)对PBX力学性能的影响，结果表明将LTP技术运用到PBX中，对提高PBX的综合性能是行之有效的。     

钝感高能炸药三氨基三硝基苯高温高压下热力学性质的分子动力学模拟研究

热力学性质是钝感高能炸药1, 3, 5-三氨基-2, 4, 6-三硝基苯(TATB)爆轰性质和安全性评估分析的重要参数. 由于结构的复杂性, TATB炸药尚缺乏系统的实验和理论计算结果. 结合全原子力场和分子动力学的方法, 本文系统研究了不同温度和压力条件下TATB的力学性质和热力学参数, 得到了弹性模量、德拜温度等随温度、压力的变化情况, 并与实验进行了对比分析. 结果表明: 在 0-50 GPa外部压力下, TATB晶体保持力学稳定, 弹性常数和弹性模量随压力升高而增大, 各向异性程度随压力升高而减小, 泊松比和延展性则受压力的影响较小; 随温度的升高, TATB的力学稳定性逐渐下降, 有发生力学失稳的可能, 各弹性常数随温度升高而逐渐减小, 各向异性程度也随之减小; TATB 的声速和德拜温度同样随着压力升高而增大, 平均声速从0 GPa下的1833 m/s, 增加到10 GPa 下的3143 m/s, 德拜温度由0 GPa下的254 K增加到10 GPa的587 K. TATB 热膨胀系数的计算表明, 在200-500 K 温度常压情况下, 其体热膨胀系数为35.9×10^-5 K^-1, 与实验数据符合较好.     

TATB基PBX炸药的形稳性

以TATB为基的炸药配方普遍存在着环境变化时尺寸变化较为显著的问题。因此了解并解决TATB基PBX炸药在应用当中的形稳性问题就显得至关重要。为此，详细研究TATB基PBX药柱在热循环中的尺寸变化规律，分析了不同压药方法、黏结剂性质及TATB的粒径大小等因素对TATB基PBX炸药尺寸稳定性和线膨胀系数的影响规律。     

亚微米TATB爆轰波剖面实验

用激光速度干涉技术测试炸药／窗口界面粒子速度，研究炸药的冲击起爆、爆轰反应区结构、爆轰驱动和炸药反应速率等。与普通颗粒TATB相比，亚微米TATB炸药对高压短脉冲敏感，在钝感起爆器中有应用价值。文中用VISAR技术，测试亚微米TATB在短脉冲加载下的炸药／窗口界面粒子速度，对亚微米TATB的反应区结构进行了探讨。亚微米TATB是通过重结晶-气流粉碎的方法制备的，平均颗粒度0．58μm。     

孔洞缺陷对B炸药性能影响的理论计算

为探究孔洞缺陷及其大小对B炸药性能的影响,建立了3种空位缺陷浓度一致但孔洞大小不同的B炸药缺陷模型.采用分子动力学方法,计算得到了不同B炸药模型与感度、结合能、爆轰性能和力学性能相关的参数并进行了比较.结果表明,缺陷模型的键连双原子作用能和内聚能密度下降了9.93～23.88 kJ·mol~(-1)和0.0082～0.0254 kJ·cm~(-3),表明孔洞缺陷的存在使B炸药更敏感,且孔洞越大,敏感程度越高.缺陷模型的结合能下降了368.43～391.46 kJ·mol~(-1),表明孔洞缺陷导致B炸药的稳定性下降,且孔洞越大,稳定性越差.孔洞缺陷对B炸药的爆轰性能影响比较微弱,受密度下降的影响,爆速和爆压轻微下降.孔洞缺陷导致B炸药的弹性模量、体积模量、剪切模量和柯西压分别下降0.21～1.24 GPa、0.23～1.46 GPa;0.08～0.48 GPa以及0.09～0.44 GPa,体积模量与剪切模量的比值几乎不变,表明孔洞缺陷导致B炸药的抗变形能力和延展性变差.     

炸药粉点火与快速反应临界条件的确定

 在爆炸激波管中利用我们研制的测温技术、回收技术及光谱技术研究了三氨基三硝基苯（TATB）、黑索金（RDX）、梯恩梯（TNT）粉在不同激励条件下的反应程度。研究表明：TATB炸药的临界点火温度和压力最高,其次是TNT,RDX最小。测量结果与国外的结果进行了比较。     

利用电磁法研究HMX与TATB混合钝感炸药的冲击起爆特性

为研究含有少量奥克托金(HMX)且以三氨基三硝基苯(TATB)为基的高能钝感炸药PBX-3的冲击起爆反应增长规律,采用火炮驱动蓝宝石飞片的方法和铝基组合式电磁粒子速度计技术进行了一维平面冲击实验。通过实验测量撞击表面及内部不同深度处的冲击波后粒子速度,得到PBX-3炸药的Hugoniot关系。根据冲击波示踪器所测数据绘制了炸药到爆轰的时间-距离(x-t)图,获得了反映炸药冲击起爆性能的Pop关系。将入射压力为12.964 GPa时达到爆轰的6条速度曲线修整成相同零点,通过读取6条曲线的分离点即反应区末端的C-J点,计算出化学反应区时间和宽度。     

TATB炸药在丙烯腈-苯乙烯共聚物溶液中的吸附行为

塑料黏结炸药(PBX)的生产过程，实质上是炸药在高分子黏结剂溶液中吸附黏结剂而黏结成粒的过程。本文通过吸附热力学和吸附动力学两方面研究了丙烯腈-苯乙烯共聚物(AS)溶液在不同粒径TATB炸药表面的吸附行为，吸附热力学与吸附动力学研究结果吻合。研究结果对于了解高聚物黏结剂在炸药表面的吸附机理及对造粒过程某些参数的选择具有一定的指导意义。     

Self-organization of five species in a cyclic competition game

Cyclic competition game models, particularly the “rock–paper–scissors” model, play important roles in exploring the problem of multi-species coexistence in spatially ecological systems. We propose an extended “rock–paper–scissors” game to model cyclic interactions among five species, and find that two of the five can coexistent when biodiversity disappears, which is different from the “rock–paper–scissors” game. As the number of fingers is five, we named the new model the “fingers” game, where the thumb, forefinger, middle finger, ring finger, and little finger cyclically dominate their subsequent species and are dominated by their former species. We investigate the “fingers” model in two ways: direct simulations and nonlinear partial differential equations. An important finding is that the number of species in a cyclic competition game has an influence on the emergence of biodiversity. To be specific, the “rock–paper–scissors” model is in favor of maintaining biodiversity in comparison with the “fingers” model when the variables (population size, reproduction rate, selection rate, and migration rate) are the same. It is also shown that the mobility and reproduction rate can promote or jeopardize biodiversity.     

Experimental study on downstep in Chinese intonation

Downstep in pitch contour of Chinese Putonghua is examined using subtly designed sentences by controlling tone combinations. The results show both automatic and nonautomatic downstep phenomena exist in Chinese. In non-automatic downstep, low tones compress downwards the pitch range of the following syllables. and the main influence of downstep is on topline. Low tone not only lower the topline behind it, but also raise the high tones before it, the effects are compatible with each other. In automatic downstep, the topline of pitch contour in intonational phrase is presented as a linear downtrend, but it differs among speakers due to the effect of personal stress practice. In comparison with downstep phenomenon in other tone or non-tone languages, the downstep ratio in Chinese is not constant, and the domain of downstep is not limited within the adjacent tones.     

Contrastive analysis on tone between Putonghua and Taiwan Mandarin

The differences of the pitch and duration of Chinese syllables between Putonghua （PTH） and Taiwan Mandarin （TM） were studied. The speech materials to be used are not only isolated syllables, but also sentences. The results reveal that： For the isolated syllables, T1 and T2 in TM are influenced by Minnan dialect, therefore their pitch are lower than those in PTH. T3 is fall-rise in PTH, while it is fall in TM. Moreover, the syllable duration sequence for different tone is T3〉T2〉T1〉T4 in PTH, while it is T1〉T2〉T3〉T4 in TM. For the syllables in sentences, T2 is mid-rise in PTH, while it is mid-level in TM. And the T3 is longer than T4 but shorter than T1 or T2 in PTH, while it is the shortest in TM. Furthermore the effects of prosodic phrase boundary on duration for different tones are almost the same in PTH, but the lengthening part of T1 or T2 is longer than that of T3 or T4 in TM.     

Abelian-Higgs phase of SU(2) QCD and glueball energy

It is shown that SU(2) QCD admits an dual Abelian-Higgs phase, with a Higgs vacuum of a type-Ⅱ superconductor. This is done by using a connection decomposition for the gluon field and the random-direction approximation. Using a bag picture with soft wall, we presented a calculational procedure for the glueball energy based on the recent proof for wall-vortices [Nucl. Phys. B 741(2006)1].     

Signal generation in an isotropic medium in scanning electron acoustic microscope

Based on the research in Ref. [5][Materials Science and Engineering, 1989; A122： 57 63], an improved model of heat source is set up, the different modes of Lamb wave in an isotropic sample generated by a chopped electron beam at frequency f are obtained with integral transform and normal function expansion method, and the output signal of PZT coupled at the back surface of the sample is found out. The generation mechanism of SEAM （Scanning Electron Acoustic Microscopy） signal is discussed. It shows that the SEAM is a near field imaging technique with high spatial resolution and its best lateral spatial resolution is about 2√2α （α is the radius of the focused electron beam）. Some of experimental results of SEAM images are presented in the paper and it shows that the spatial resolution of SEAM is better than 0.5 μm and smaller than the thermal diffusion length of the sample. Therefore the character of near field imaging in SEAM is also proved experimentally.     

High efficiency filtering using two-dimensional photonic crystal coupled cavity structures

Transmission spectra of coupled cavity structures (CCSs) in two-dimensional (2D) photonic crystals (PCs) are investigated using a coupled mode theory, and an optical filter based on CCS is proposed. The performance of the filter is investigated using finite-difference time-domain (FDTD) method, and the results show that within a very short coupling distance of about 3λ, where λ is the wavelength of signal in vacuum, the incident signals with different frequencies are separated into different channels with a contrast ratio of 20 dB. The advantages of this kind of filter are small size and easily tunable operation frequencies.     

Real-time restoration of rotational blurred image using gradient-loading

The key to the restoration of rotational motion blurred image is how to restore the image under a low cost and to correct the irreversibility of the degradation function matrix.Based on the special qualities of degradation function matrix and precise deduction in space-domain, we present a new approach using gradient-loading for restoration of rotational blurred image.By easily adding a gradient operator, the irreversibility of the original matrix is corrected and can be applied for inverse filtering then.Gradientloading is the optimized approach which combines the advantages of both the approaches using constrained least square filtering and traditional diagonal-loading.Compared with the approach using least square filtering, its peak signal-to-noise ratio (PSNR) is improved from 3.18 to 6.46dB, while the computing time is reduced to 1/2-1/3.Experimental results demonstrate the effectiveness, noise-resistibility, robustness, and low complexity of this approach, which make it more suitable for real-time environment.     

All-Optical Logic Device Using Bent Nonlinear Tapered Y-Junction Waveguide Structure

We propose an all-optical logic device made of a bent tapered Y-junction waveguide with a Kerr-type nonlinear interface. It could provide an AND gate, OR gate, and exclusive-OR (XOR) gate. We could obtain different transmission results by adjusting the bending angle. The numerical simulation results show that the device functions as AND, OR, and XOR gates.     

Real-time, continuous-wave terahertz imaging by a pyroelectric camera

Real-time, continuous-wave terahertz (THz) imaging is demonstrated. A 1.89-THz optically-pumped farinfrared laser is used as the illumination source, and a 124 × 124 element room-temperature pyroelectric camera is adopted as the detector. With this setup, THz images through various wrapping materials are shown. The results show that this imaging system has the potential applications in real-time mail and security inspection.