变姿态下的多指手抓取爆炸物能力分析

将多指手运用于排爆机器人以提高处理爆炸物的能力。论文针对排爆机器人在作业时其姿态的不断变化对抓取爆炸物能力的影响,寻求有利于提高抓取能力的最优手指关节角,以及多指手在不同的姿态下能抓取爆炸物的最大重量,并得出抓取能力最差的位姿。论文还考虑到爆炸物容易爆炸的特点,研究接触力不超过爆炸物所能承受的极限时多指手的抓取能力,为机器人安全操作爆炸物,防止过大的夹持力而使爆炸物发生爆炸提供理论依据。     

Explosive instability of quasi-phonon triads in antiferromagnet under frequency modulated electromagnetic field

Compensation of nonlinear frequency shift of hybrid magnetoelastic waves (quasi-phonons) in the process of parametric three-boson coupling is studied theoretically and experimentally. The singular frequency modulation of electromagnetic pumping is proposed for the observation of explosive instability of quasi-phonon triads. The explosive supercritical dynamics is simulated theoretically on the basis of strong nonlinear equations of magnetoelastic dynamics and observed in α-Fe₂O₃ magnetoacoustic resonator.     

Research on the explosion characteristics of chlorine dioxide gas

The explosion characteristics of chlorine dioxide gas have been studied for the first time in a cylindrical exploder with a shell capacity of 201. The experimental results have indicated that the lower concentration limit for the explosive decomposition of chlorine dioxide gas is 9.5% （[ClO2]/[air]）, whereas there is no corresponding upper concentration limit. The maximum pressure of explosion relative to the initial pressure was measured as 0.024 MPa at 10% ClO2 and 0.641 MPa at 90% ClO2. The induction time （the time from the moment of sparking to explosion） at 10% ClO2 was 2195 ms, but at 90% ClO2 the induction time was just 8 ms. The explosion reaction mechanism of ClO2 is of a degenerate chain-branching type involving the formation of a stable intermediate （Cl2O3）, from which the chain branching occurs.     

Effects of Epoxidation and Nitration on Ballistic Properties of FOX‐7 – A DFT Study

1, 1‐Diamino‐2, 2‐dinitroethylene (FOX‐7) has received increasing attention since it was industrialized in the late 1990s. It has lower sensitivity and comparable performance to RDX. This paper presents ballistic properties of FOX‐7, its mono and dinitro derivatives and their epoxide derivatives computationally. The structures were optimized at the B3LYP/6‐31G(d, p) level and the bond lengths were calculated. The calculated data for FOX‐7 are compatible with the literature one. We have investigated the bond dissociation energies of the molecules. Mulliken electro negativities (χ_M) and chemical hardness (η) were reviewed using Frontier Molecular Orbitals at HF/6‐31G(d, p)//B3LYP/6‐31G(d, p) theoretical level. The detonation performance analyses were done using empirical Kamlet‐Jacobs equations. Additionally, power index values were calculated. All the compounds considered in the present article are powerful candidates for high energy materials.     

TATP的质子转移反应的质谱研究

利用密度泛函理论(DFT), 在B3LYP/cc-pVDZ水平上, 对三过氧化三丙酮(Triacetone triperoxide, TATP)及其质子化离子[TATP+H]+进行了构型优化和质子亲和势(Proton Affinity, PA)计算, 研究结果表明, PA(TATP)=866.73 kJ/mol大于PA(H2O)=691.0 kJ/mol, TATP与H3O+可发生质子转移反应. 在自行研制的质子转移反应质谱(Proton transfer reaction mass spectrometry, PTR-MS) 装置上, 研究了TATP与H3O+反应生成的特征离子. 当漂移管中E/N=1.4×10-15 V·cm2时, 在荷质比m/z=91, 75, 74, 59, 43等处观察到了产物离子. 降低E/N至0.5×10-15 V·cm2后, 在m/z=223处观察到了质子化产物离子([TATP+H]+), 验证了计算结果; 结合[TATP+H]+的构型, 分析了TATP质子转移反应产物离子可能的归属及其形成过程. 结合PTR-MS漂移管内E/N的改变引起m/z=223, 91, 43等离子的变化特征, 可实现TATP的准确识别和快速定量检测, 检测下限达到5.0×10-10 mol/L(±50%).     

Vibrational spectroscopy standoff detection of explosives

Standoff infrared and Raman spectroscopy (SIRS and SRS) detection systems were designed from commercial instrumentation and successfully tested in remote detection of high explosives (HE). The SIRS system was configured by coupling a Fourier-transform infrared interferometer to a gold mirror and detector. The SRS instrument was built by fiber coupling a spectrograph to a reflective telescope. HE samples were detected on stainless steel surfaces as thin films (2–30 μg/cm²) for SIRS experiments and as particles (3–85 mg) for SRS measurements. Nitroaromatic HEs: TNT, DNT, RDX, C4, and Semtex-H and TATP cyclic peroxide homemade explosive were used as targets. For the SIRS experiments, samples were placed at increasing distances and an infrared beam was reflected from the stainless steel surfaces coated with the target chemicals at an angle of ∼180° from surface normal. Stainless steel plates containing TNT and RDX were first characterized for coverage distribution and surface concentration by reflection–absorption infrared spectroscopy. Targets were then placed at the standoff distance and SIRS spectra were collected in active reflectance mode. Limits of detection (LOD) were determined for all distances measured for the target HE. LOD values of 18 and 20 μg/cm² were obtained for TNT and RDX, respectively, for the SIR longest standoff distance measured. For SRS experiments, as low as 3 mg of TNT and RDX were detected at 7 m source–target distance employing 488 and 514.5 nm excitation wavelengths. The first detection and quantification study of the important formulation C4 is reported. Detection limits as function of laser powers and acquisition times and at a standoff distance of 7 m were obtained.     

Estimation of spinodals from the density profile of the vapor–liquid interface

An extension of a recently proposed method for the calculation of the spinodals in pure fluid systems from the interfacial properties is elaborated, which requires the density profile as only input. The foundation of this approach is the so-called Fuchs-transformation which gives an estimate for the tangential pressure profile from the density profile. Using molecular dynamics simulation data for argon and carbon dioxide as well as lattice Boltzmann simulation data for the argon-like Shan–Chen fluid, the accuracy of the approach is analyzed. The Fuchs-transformation is qualitative, however it is possible to estimate the temperature–density projection of the spinodal. Depending on the underlying correlation function for the interfacial density profile reasonable results are obtained for the liquid and the vapor spinodal. The advantage of this method is that equilibrium data can be used to estimate the spinodal which is experimentally impossible to access because it is a highly non-equilibrium property. In the final consequence of this approach only the coexistence vapor and liquid densities are required to estimate the temperature–density projection of the spinodals.     

The nature of explosive percolation phase transition

In this Letter, we show that the explosive percolation is a novel continuous phase transition. The order-parameter-distribution histogram at the percolation threshold is studied in Erd?s-Rényi networks, scale-free networks, and square lattice. In finite system, two well-defined Gaussian-like peaks coexist, and the valley between the two peaks is suppressed with the system size increasing. This finite-size effect always appears in typical first-order phase transition. However, both of the two peaks shift to zero point in a power law manner, which indicates the explosive percolation is continuous in the thermodynamic limit. The nature of explosive percolation in all the three structures belongs to this novel continuous phase transition. Various scaling exponents concerning the order-parameter-distribution are obtained.     

具有对流项的一类非线性椭圆型问题爆炸解的精确渐近行为

设Ω是RN中的有界光滑区域．应用Karamata正规变化理论和摄动方法.构造比较函数．得到了问题的解在边界附近的精确渐近行为和解的唯一性,其中g在无穷远处以指数1 ρ(ρ>0)正规变化．b在Ω内非负非平凡并且允许在边界为0．     

炸药敏化剂的分子结构、电子结构和生成热的理论研究

在HF/6-31G*和B3LYP/6-31G*基组水平上, 对硝酸乙酯(EN)、硝酸正丙酯(NPN)、硝酸异丙酯(IPN)、硝酸异辛酯(EHN)和四甘醇二硝酸酯(TEGDN)五种炸药敏化剂进行理论计算, 研究了标题物的分子结构、电子结构和能量等方面的性质. 基于Mulliken布居和键长分析, 五种硝酸酯分子的热分解始于O2—N3键的断裂, 且由Mulliken电荷分布推知分子热解产生NO2气体. 在分析前线轨道能(EHOMO, ELUMO)和能量差(ΔE)的基础上对五种硝酸酯的相对热稳定性大小进行了评估. 由等键反应获得的EN、IPN、NPN、EHN和TEGDN的标准生成热分别是-155.972、-190.896、-175.279、-272.376和-790.733 kJ·mol-1.