Influence of chemical kinetics on spontaneous waves and detonation initiation in highly reactive and low reactive mixtures

Understanding the mechanisms of explosions is important for minimising devastating hazards. Due to the complexity of real chemistry, a single-step reaction mechanism is usually used for theoretical and numerical studies. The purpose of this study is to look more deeply into the influence of chemistry on detonation initiated by a spontaneous wave. The results of high-resolution simulations performed for one-step models are compared with simulations for detailed chemical models for highly reactive and low reactive mixtures. The calculated induction times for H₂/air and for CH₄/air are validated against experimental measurements for a wide range of temperatures and pressures. It is found that the requirements in terms of temperature and size of the hot spots, which can produce a spontaneous wave capable to initiate detonation, are quantitatively and qualitatively different for one-step models compared to detailed chemical models. The time and locations when the exothermic reaction affects the coupling between the pressure wave and spontaneous wave are considerably different for a one-step and detailed models. The temperature gradients capable to produce detonation and the corresponding size of hot spots are much shallower and, correspondingly, larger than those predicted using one-step models. The impact of the detailed chemical model is particularly pronounced for the methane-air mixture. In this case, not only the hot spot size is much greater than that predicted by a one-step model, but even at the elevated pressure, the initiation of detonation by a temperature gradient is possible only if the temperature outside the gradient is rather high, so that can ignite a thermal explosion. The obtained results suggest that the one-step models do not reproduce correctly the transient and ignition processes, so that interpretation of the simulations performed using a one-step model for understanding mechanisms of flame acceleration, DDT and the origin of explosions must be considered with great caution.     

Density-based kinetics for mesoscale simulations of detonation initiation in energetic materials

In this work we present one- and two-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard ‘Ignition and Growth’ models. The deposition term is based on previous results of simulations of void collapse at the microscale, modelled at the mesoscale as hot spots. For an isolated hot spot in a homogeneous medium, it is found that a critical size of the hot spots exists. If the hot spots exceed the critical size, initiation of detonation can be achieved. For sub-critical hot-spot sizes, we show that it takes a collection of hot spots to achieve detonation. We also carry out two-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no detonation and detonation depends on the number density of the hot spots, the initial radius of the hot spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term.     

Multi-dimensional mesoscale simulations of detonation initiation in energetic materials with density-based kinetics

In this work we present multi-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using density-based kinetics, while the deposition term is based on simulations of void collapse at the microscale, modelled at the mesoscale as hot spots. We carry out two- and three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that transition between no-detonation and detonation depends on the number density of the hot spots, the packing fraction, and the post-shock pressure of an imposed shock. In particular, we show that, for a fixed post-shock pressure, there exists a critical value of the number density of hot spots, such that when the number density is below this value a detonation wave will not develop. We highlight the importance of morphology to initiation by comparing with a homogeneous counterpart, and we compare relevant length scales by examining their corresponding power spectra. We also examine the effect of packing fraction and show that at low post-shock pressures there is significant variation in the initiation times, but that this variation disappears as the post-shock pressure is increased. Finally, we compare three-dimensional simulations with the experimental data, and show that the model is capable of qualitatively reproducing the trends shown in the data.     

Influence of quantum effects on the initiation of ignition and detonation

A theoretical analysis that allows one to quantify the quantum corrections to the rate constants of endothermic reactions associated with an increase in the high-energy tails of the momentum distribution functions at high pressures due to a manifestation of the uncertainty principle for the energy of the colliding particles at a high collision frequency is performed. The initiation of ignition of hydrogen-oxygen mixtures is investigated and special series of experiments on the initiation of detonation waves of condensation in carbon suboxide and acetylene at elevated pressures near the low-temperature limits have been carried out. The experimentally observed deviations in the Arrhenius dependences of the induction periods of the initiation of hydrogen ignition and detonation waves of condensation are shown to be well described by the proposed quantum corrections.     

Quantum effects of nonlinear spin waves in ferromagnets

We investigate a squeezed thermal spin state of nonlinear spin waves in Heisenberg ferromagnets. In this state, the magnon system possesses a new kind of quasiparticle, the dressed magnon, whose mass is a monotonically decreasing function of temperature. The noise of one spin component in the squeezed thermal spin state can be below the noise level in the vacuum state. The magnon system undergoes a first-order phase transition from the normal state to the squeezed thermal spin state. The critical temperature is much lower than the Curie temperature. A possible detection scheme based on a polarized neutron-scattering technique is suggested.     

Controlled detonation initiation in hypersonic flow

Experimental evidence of controlled detonation initiation and propagation in a hypersonic flow of premixed hydrogen-air is presented. This controlled detonation initiation is created in a hypersonic facility capable of producing a Mach 5 flow of hydrogen-air. Flow diagnostics such as high-speed schlieren and OH* chemiluminescence results show that a flame deflagration-to-detonation transition occurs as a combined result of turbulent flame acceleration and shock-focusing. The experimental results define three new distinct regimes in a Mach 5 premixed flow: deflagration-to-detonation transition (DDT), unsteady compressible turbulent flames, and shock-induced combustion. A two-dimensional implicit-LES (ILES) simulation, which solves the compressible, reactive Navier-Stokes equations on an adapting grid is conducted to provide additional insight into the local physical mechanism of detonation transition and propagation.     

Effect of debris fragments on direct initiation of spherical detonation waves in stoichiometric oxygen/hydrogen mixtures

Paper reports a result of experiments of spherical shock waves generated by explosions of micro-explosives weighing from 1 to 10 mg ignited by the irradiation of Q-switched laser beam and direct initiation to a spherical detonation wave in stoichiometric oxygen/hydrogen mixtures at 10–200 kPa. We visualized the interaction of debris particles ejected micro-explosives’ surface with shock waves by using double exposure holographic interferometry and high-speed video recording. Upon explosion, minute inert debris launched supersonically from micro-charge surface precursory to shock waves initiated spherical detonation waves. To examine this effect we attached 0.5–2.0 μm diameter SiO₂ particles densely on micro-explosive surfaces and observed that the supersonic particles, significantly promoted the direct initiation of spherical detonation waves. The domain and boundary of detonation wave initiations were experimentally obtained at various initial pressures and the amount of micro-charges.     

On the mechanism of hotspot initiation of detonation

A mechanism of the initiation of hotspots in heterogeneous solid high explosives was considered. It was demonstrated that the growth of hotspots may be associated with the propagation of a thermal wave in the deflagration regime only at an early stage of the process. The growth at later stages occurs in the reactive shock regime, a finding that renders the assumption about a very high deflagration wave velocity redundant.     

Formation of nitrogen oxides in detonation waves

Based on detailed kinetic calculations and experimental data, it is demonstrated that the emission of nitrogen oxides from detonation burner units (DBUs) is significantly lower than that from powerful conventional burners with similar characteristics. Under certain conditions, realized largely in DBUs with rotating detonation, the main component of the nitrogen oxides may turn out to be N₂O.     

Numerical resolution of pulsating detonation waves

The canonical problem of the one-dimensional, pulsating, overdriven detonation wave has been studied for over 30 years, not only for its phenomenological relation to the evolution of multidimensional detonation instabilities, but also to provide a robust, reactive, high-speed flowfield with which to test numerical schemes. The present study examines this flowfield using high-order, essentially non-oscillatory schemes, systematically varying the level of resolution of the reaction zone, the size and retention of information in the computational domain, the initial conditions, and the order of the scheme. It is found that there can be profound differences in peak pressures as well as in the period of oscillation, not only for cases in which the reaction front is under-resolved, but for cases in which the computation is corrupted due to a too-small computational domain. Methods for estimating the required size of the computational domain to reduce costs while avoiding erroneous solutions are proposed and tested.     

Aluminum oxidation in shock and detonation waves

Experimental data on the detonation velocity of aluminized explosives and the temperature of the material behind the shock wave front in condensed media, including aluminum-oxidizer mixtures were examined. It was demonstrated that the oxidation of aluminum to the highest oxide behind the front of shock and detonation waves is limited by the dissociation of aluminum oxides at temperatures above 3.5 kK.     

Formation of detonation waves in channels and interaction of the waves with penetrable screens

Two-dimensional channel flows with shock waves resulting from the detonation of a combustible gas mixture are considered. Conditions for detonation and the parameters of the shock waves are determined. The feasibility of reducing the shock wave intensity and loads on the structure by mounting a set of mesh screens in the channel is investigated. The numerical computation of detonation initiation in an air-hydrogen mixture and subsequent passage of shock waves through the mesh screens is carried out. Basic quantitative characteristics of shock wave reduction depending on the mesh screen penetrability and mutual arrangement of variously penetrable screens are obtained.     

Quantum waves in zinc

The effect of quantization of charge carriers in a magnetic field on the wave properties of zinc is investigated theoretically. It is shown that the cyclotron absorption by holes in the microwave range acquires a clearly manifested quantum structure: the absorption as a function of the magnetic field has the form of a sequence of narrow quantum peaks separated by deep minima. The suppression of cyclotron absorption at the minima is so strong that the propagation of an electron doppleron—the mode characterized by strong damping under classical conditions and not observed in zinc—becomes possible.     

Effect of thermal pressure in converging detonation waves

Propagation of converging detonation waves in various explosives is studied using the equation of state, which considers both the thermal and elastic pressures. It is seen that the rate of increase of thermal pressure is higher than that of the elastic pressure during convergence. The present equation of state is better since it also gives the variation of temperature, whereas the polytropic form of the equation of state is independent of temperature. It is seen that the total detonation pressure is slightly greater than the elastic pressure. Results are compared with those reported elsewhere.     

Generation of magnetic field by detonation waves

The generation of a magnetic field by a system of detonation waves in a condensed explosive is reported. The convergence of the detonation waves, which exhibit a high conductivity in the chemical reaction zone, increases the magnetic field at the axis of the system. The fact of magnetic field generation is demonstrated experimentally. Features of the new method of magnetic cumulation are discussed. A simple compression model that qualitatively agrees with experimental data is proposed.     

Oblique detonation waves stabilized in rectangular-cross-section bent tubes

Oblique detonation waves, which are generated by a fundamental detonation phenomenon occurring in bent tubes, may be applied to fuel combustion in high-efficiency engines such as a pulse detonation engine (PDE) and a rotating detonation engine (RDE). The present study has experimentally demonstrated that steady-state oblique detonation waves propagated stably through rectangular-cross-section bent tubes by visualizing these waves using a high-speed camera and the shadowgraph method. The oblique detonation waves were stabilized under the conditions of high initial pressure and a large curvature radius of the inside wall of the rectangular-cross-section bent tube. The geometrical shapes of the stabilized oblique detonation waves were calculated, and the results of the calculation were in good agreement with those of our experiment. Moreover, it was experimentally shown that the critical condition under which steady-state oblique detonation waves can stably propagate through the rectangular-cross-section bent tubes was the curvature radius of the inside wall of the rectangular-cross-section bent tube equivalent to 14–40 times the cell width.     

Quantum waves in noble metals

A theoretical study is presented of the effect of hole energy quantization in a dc magnetic field on microwave penetration through a noble-metal plate. It is shown that quantization results in strong oscillations of cyclotron absorption. Between the absorption peaks, the damping decreases sufficiently to enable propagation of unique quantum waves. Excitation of such waves in a metallic plate gives rise to sharp oscillations of its surface resistance with magnetic field. The shape of these oscillations is also very unusual. Fiz. Tverd. Tela (St. Petersburg) 41, 1354–1360 (August 1999)