悬浮RDX炸药粉尘爆轰的数值模拟

用两相流模型对悬浮RDX炸药粉尘爆轰波进行了数值模拟。RDX炸药颗粒在爆轰波阵面后的高温高速气流中加速并升温,颗粒表面发生熔化。参考液滴在高速气流作用下剥离的效应,假设炸药熔化部分在高速气流的作用下发生剥离,破碎成极小的颗粒,瞬时发生分解反应,释放出能量支持爆轰波传播。数值模拟了在不同粒径和浓度的悬浮RDX炸药粉尘中爆轰波的发展与传播过程,得到了爆轰波流场中气-固两相的物理量分布,并确定了爆轰波参数。在较低的RDX粉尘浓度条件下,爆轰波阵面压力的峰值曲线出现振荡。当RDX粉尘浓度在80~150 g/m3时,数值模拟得到的爆轰波阵面压力峰值曲线的振荡是规则的;当RDX粉尘浓度为70 g/m3时,爆轰波阵面压力峰值曲线出现不规则振荡。     

以RDX为基的含铝炸药中铝粉粒度和氧化剂形态对加速金属能力的影响

利用激光速度干涉仪研究了含微米铝粉和纳米铝粉复合炸药加速金属平板的能力,结果表明纳米铝粉的引入能够获得更大的金属平板自由面速度,其反应时间比微米复合含铝炸药缩短35.1%。研究了氧化剂的形态对含铝炸药性能的影响,用物理化学手段获得的RDX/AP复合粒子复合粒子制作的含铝炸药加速金属平板的能力优于机械混合RDX/AP的含铝炸药,前者的反应时间也比后者短。此外,还研究了以富氧炸药取代RDX获得的含铝炸药的性能,结果表明其加速金属平板的速度比RDX/Al复合炸药提高10%。     

Theoretical studies on the structure,sensitivity, density,thermodynamic properties and detonation performance of dinitrobitriazoles

Azodinitro- and dinitroethylene-bridged bitriazoles are of interest in the contest of high explosives, and were found to have true local energy minima at the B3LYP/aug-cc-pVDZ level of theory. The optimised structures, vibrational frequencies and thermodynamic quantities for bitriazoles were obtained in the ground state. Kamlet–Jacobs equations were used to evaluate the performance of bitriazoles based on the predicted density and the calculated heat of explosion. Detonation properties (D = 8.12 to 9.23 km s^?1 and P = 28.0 to 39.83 GPa) of bitriazoles were found to be promising compared with those of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX, D = 8.75 km s^?1 and P = 34.7 GPa) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX, D = 8.96 km s^?1 and P = 35.96 GPa). The fusion of azoles particularly appears to be a promising area for investigation, since it may lead to the desirable consequences of higher heat of explosion, higher density and thus improved detonation performance.     

An MPI parallel level-set algorithm for propagating front curvature dependent detonation shock fronts in complex geometries

We present a parallel, two-dimensional, grid-based algorithm for solving a level-set function PDE that arises in Detonation Shock Dynamics (DSD). In the DSD limit, the detonation shock propagates at a speed that is a function of the curvature of the shock surface, subject to a set of boundary conditions applied along the boundaries of the detonating explosive. Our method solves for the full level-set function field, φ(x, y, t), that locates the detonation shock with a modified level-set function PDE that continuously renormalises the level-set function to a distance function based off of the locus of the shock surface, φ(x, y, t)=0. The boundary conditions are applied with ghost nodes that are sorted according to their connectivity to the interior explosive nodes. This allows the boundary conditions to be applied via a local, direct evaluation procedure. We give an extension of this boundary condition application method to three dimensions. Our parallel algorithm is based on a domain-decomposition model which uses the Message-Passing Interface (MPI) paradigm. The computational order of the full level-set algorithm, which is O(N ⁴), where N is the number of grid points along a coordinate line, makes an MPI-based algorithm an attractive alternative. This parallel model partitions the overall explosive domain into smaller sub-domains which in turn get mapped onto processors that are topologically arranged into a two-dimensional rectangular grid. A comparison of our numerical solution with an exact solution to the problem of a detonation rate stick shows that our numerical solution converges at better than first-order accuracy as measured by an L1-norm. This represents an improvement over the convergence properties of narrow-band level-set function solvers, whose convergence is limited to a floor set by the width of the narrow band. The efficiency of the narrow-band method is recovered by using our parallel model.     

Statistical analysis of cellular detonation dynamics from numerical simulations: one-step chemistry

In this paper, two methods are developed for statistically analysing the nonlinear cellular dynamics from numerical simulations of gaseous detonations, one use of which is the systematic determination of detonation cell sizes from such simulations. Both these methods rely on signed vorticity records in which the individual families of transverse waves are captured independently. The first method involves an automated extraction of the main triple-point tracks from the vorticity records, allowing statistical analysis of the spacings between neighbouring tracks. The second method uses the autocorrelation function to spectrally analyse the vorticity records. These methods are then employed for a preliminary analysis of the cellular dynamics of the standard, idealized one-step chemistry model. Evidence is found for ‘cell size doubling’ bifurcations in the one-step model as the cellular dynamics become more irregular (e.g. as the activation is increased). It is also shown that the statistical models converge slowly due to systematic ‘shot-to-shot’ variation in the cellular dynamics for fixed parameters with different initial perturbations. Instead, it appears that a range of equally probable cell sizes can be obtained for given parameters.     

Structure and detonation performance of a novel HMX/LLM‐105 cocrystal explosive

Intermolecular interactions and properties of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐ tetrazocine (HMX) / 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) cocrystal were studied by using the dispersion‐corrected density functionals (ωB97XD, B97D) and meta‐hybrid functional (M062x) methods. Binding energies, heats of formation, thermodynamic properties, atoms in molecules, and natural bond orbital analysis were performed to investigate HMX/LLM‐105 complexes. Results show that the main intermolecular interactions between HMX and LLM‐105 are CH…O, NH…O, N…O, and O…O interactions. In addition, Monte Carlo simulation was employed to predict the crystal structure of HMX/LLM‐105 cocrystal. The HMX/LLM‐105 cocrystal is most likely to crystallize in C2/c space group, and its corresponding cell parameters are Z = 8, a = 41.63 Å, b = 6.77 Å, c = 45.63 Å, ß = 164.55°, and ρ = 1.99 g/cm³. Detonation velocity and pressure of HMX/LLM‐105 cocrystal are 8.95 km/s, 37.69GPa, a little lower than those of HMX (9.10 km/s, 37.76GPa). However, according to the net charges of nitro group, HMX/LLM‐105 cocrystal exhibits less sensitive than HMX. Finally, bond dissociation energy calculation shows that HMX/LLM‐105 complexes are thermally stable. Considering thermal stability, sensitivity, and detonation performance, HMX/LLM‐105 cocrystal meets the requirements of insensitive high energy density materials. Copyright © 2013 John Wiley & Sons, Ltd.     

Crossed Beam Study on the F+D2→DF+D Reaction at Hyperthermal Collision Energy of 23.84 kJ/mol

We presented an experimental apparatus combining the H-atom Rydberg tagging time-of-flight technique and the laser detonation source for studying crossed beam reactions athyperthermal collision energies. The preliminary study of the F+D₂→DF+D reaction at hyperthermal collision energy of 23.84 kJ/mol was performed. Two beam sources were used in this study: one is the hyperthermal F beam source produced by a laser detonation process, and the other is D₂ beam source generated by liquid-N₂ cooled pulsed valve. Vibrational state-resolved di erential cross sections (DCSs) of product for the title reaction were determined. From the product vibrational state-resolved DCS, it can be concluded that products DF(v'=0, 1, 2, 3) are predominantly distributed in the sideway and backward scattering directions at this collision energy. However, the highest vibrational excited product DF(v'=4), is clearly peaked in the forward direction. The probable dynamical origins for these forward scattering products were analyzed and discussed.     

煤油氧气脉冲爆震火箭发动机爆震特性

脉冲爆震火箭发动机(PDRE)是一种利用脉冲式爆震波产生高温、高压燃气发出的冲量来产生推力的推进系统.与常规液体火箭发动机相比,脉冲爆震火箭发动机具有更高的性能,并且结构更简单.本文以航空煤油为燃料、氧气为氧化剂、压缩氮气为隔离气体,并利用电磁阀控制燃料、氧化剂和隔离气体的间歇式供给.利用低的点火能量(50mJ),在内径50mm,长度1.1m的爆震管内进行了大量的多循环爆震试验,研究煤油氧气电磁阀脉冲爆震火箭发动机的爆震波特性.研究结果为进一步研究气液两相多次爆震燃烧机理提供了依据,为研制工程应用的PDRE提供理论和实践基础.     

多脉冲激光对K9玻璃的表面损伤实验研究

 实验研究了波长为1 064 nm、脉宽为10 ns、重复频率为1 Hz的激光脉冲对K9玻璃的表面损伤特点,给出了脉冲透过能量随激光脉冲作用次数变化的规律。采用3维立体显微镜对损伤形貌进行观察,发现K9玻璃的损伤表面呈环状分布,分为烧蚀区、微裂纹区和断裂区。随着激光脉冲个数的增加,损伤由点状破坏演变为损伤区,微裂纹逐渐增长,损伤面积逐渐增大。基于激光支持的爆轰波理论分析,激光与脆性材料的相互作用可引起微裂纹的大量增长。在多脉冲激光的作用下,K9玻璃损伤的累积效应明显,表面损伤阈值明显降低,表面裂纹增长明显,损伤面积逐渐增大;但随着激光脉冲的继续增加,这种损伤趋于稳定。