Detonation propagation in a compressible medium wherein the energy release has been made spatially inhomogeneous is examined via numerical simulation. The inhomogeneity is introduced via step functions in the reaction progress variable, with the local value of energy release correspondingly increased so as to maintain the same average energy density in the medium, and thus a constant Chapman Jouguet (CJ) detonation velocity. A one-step Arrhenius rate governs the rate of energy release in the reactive zones. The resulting dynamics of a detonation propagating in such systems with one-dimensional layers and two-dimensional squares are simulated using a Godunov-type finite-volume scheme. The resulting wave dynamics are analyzed by computing the average wave velocity and one-dimensional averaged wave structure. In the case of sufficiently inhomogeneous media wherein the spacing between reactive zones is greater than the inherent reaction zone length, average wave speeds significantly greater than the corresponding CJ speed of the homogenized medium are obtained. If the shock transit time between reactive zones is less than the reaction time scale, then the classical CJ detonation velocity is recovered. The spatio-temporal averaged structure of the waves in these systems is analyzed via a Favre averaging technique, with terms associated with the thermal and mechanical fluctuations being explicitly computed. The analysis of the averaged wave structure identifies the super-CJ detonations as weak detonations owing to the existence of mechanical non-equilibrium at the effective sonic point embedded within the wave structure. The correspondence of the super-CJ behavior identified in this study with real detonation phenomena that may be observed in experiments is discussed. * Corresponding author: andrew.higgins@mcgill.ca 2

Detonation propagation in the limit of highly spatially discretized energy sources is investigated. The model of this problem begins with a medium consisting of a calorically perfect gas with a prescribed energy release per unit mass. The energy release is collected into sheet-like sources that are now embedded in an inert gas that fills the spaces between them. The release of energy in the first sheet results in a planar blast wave that propagates to the next source, which is triggered after a prescribed delay, generating a new blast, and so forth. The resulting wave dynamics as the front passes through hundreds of such sources is computationally simulated by numerically solving the governing one-dimensional Euler equations in the lab-fixed reference frame. Two different solvers are used: one with a fixed uniform grid and the other using an unstructured, adaptively refined grid enabling the limit of highly concentrated, spatially discrete sources to be examined. The two different solvers generate consistent results, agreeing within the accuracy of the measured wave speeds. The average wave speed for each simulation is measured once the wave propagation has reached a quasi-periodic solution. The effect of source delay time, source energy density, specific heat ratio, and the spatial discreteness of the sources on the wave speed is studied. Sources fixed in the lab reference frame versus sources that convect with the flow are compared as well. The average wave speed is compared to the ideal Chapman-Jouguet (CJ) speed of the equivalent homogenized media. Velocities in excess of the CJ speed are found as the sources are made increasingly discrete, with the deviation above CJ being as great as 15%. The deviation above the CJ value increases with decreasing values of specific heat ratio γ. The total energy release, delay time, and whether the sources remain lab-fixed or are convected with the flow do not have a significant influence on the deviation of the average wave speed away from CJ. A simple, ad hoc analytic model is proposed to treat the case of zero delay time (i.e., source energy released at the shock front) that exhibits qualitative agreement with the computational solutions and may explain why the deviation from CJ increases with decreasing γ. When the sources are sufficiently spread out so as to make the energy release of the media nearly continuous, the classic CJ solution is obtained for the average wave speed. Such continuous waves can also be shown to have a time-averaged structure consistent with the classical ZND structure of a detonation. In the limit of highly discrete sources, temporal averaging of the wave structure shows that the effective sonic surface does not correspond to an equilibrium state. The average state of the flow leaving the wave in this case does eventually reach the equilibrium Hugoniot, but only after the effective sonic surface has been crossed. Thus, the super-CJ waves observed in the limit of highly discretized sources can be understood as weak detonations due to the...

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Two-dimensional, meso-resolved numerical simulations are performed to investigate the complete shock-to-detonation transition (SDT) process in a mixture of liquid nitromethane (NM) and air-filled, circular cavities. The shock-induced initiation behaviors resulting from the cases with neat NM, NM with an array of regularly spaced cavities, and NM with randomly distributed cavities are examined. For the case with randomly distributed cavities, hundreds of cavities are explicitly resolved in the simulations using a diffuse-interface approach to treat two immiscible fluids and GPUenabled parallel computing. Without invoking any empirically calibrated, phenomenological models, the reaction rate in the simulations is governed by Arrhenius kinetics. For the cases with neat NM, the resulting SDT process features a superdetonation that evolves from a thermal explosion after a delay following the passage of the incident shock wave and eventually catches up with the leading shock front. For the cases wherein mesoscale heterogeneities are explicitly considered, a gradual SDT process is captured. These two distinct initiation behaviors for neat NM and heterogeneous NM mixtures agree with experimental findings. Via examining the global reaction rate of the mixture, a unique time scale characterizing the SDT process, i.e., the overtake time, is measured for each simulation. For an input shock pressure less than approximately 9.4 GPa, the overtake time resulting from a heterogeneous mixture is shorter than that for neat NM. This sensitizing effect is more pronounced for lower input shock pressures. A random distribution of cavities is found to be more effective in enhancing the SDT process than a regular array of cavities. Statistical analysis on the meso-resolved simulation data provides more insights into the mechanism of energy release underlying the SDT process. Possible directions towards a quantitatively better agreement between the experimental and meso-resolved simulation results are discussed. arXiv:1905.05727v2 [physics.comp-ph]

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An analog to the equations of compressible flow that is based on the inviscid Burgers equation is utilized to investigate the effect of spatial discreteness of energy release on the propagation of a detonation wave. While the traditional Chapman-Jouguet (CJ) treatment of a detonation wave assumes that the energy release of the medium is homogeneous through space, the system examined here consists of sources represented by δ-functions embedded in an otherwise inert medium. The sources are triggered by the passage of the leading shock wave following a delay that is either of fixed period or randomly generated. The solution for wave propagation through a large array (10 3 -10 4 ) of sources in one dimension can be constructed without the use of a finite difference approximation by tracking the interaction of sawtooth-profiled waves for which an analytic solution is available. A detonation-like wave results from the interaction of the shock and rarefaction waves generated by the sources. The measurement of the average velocity of the leading shock front for systems of both regular, fixed-period and randomized sources is found to be in close agreement with the velocity of the equivalent CJ detonation in a uniform medium wherein the sources have been spatially homogenized. This result may have implications for the applicability of the CJ criterion to detonations in highly heterogeneous media (e.g., polycrystalline, solid explosives) and unstable detonations with a transient and multidimensional structure (e.g., gaseous detonation waves).

The morphology of flame fronts propagating in reactive systems composed of randomly positioned, pointlike sources is studied. The solution of the temperature field and the initiation of new sources is implemented using the superposition of the Green's function for the diffusion equation, eliminating the need to use finite-difference approximations. The heat released from triggered sources diffuses outward from each source, activating new sources and enabling a mechanism of flame propagation. Systems of 40000 sources in a 200×200 two-dimensional domain were tracked using computer simulations, and statistical ensembles of 120 realizations of each system were averaged to determine the statistical properties of the flame fronts. The reactive system of sources is parameterized by two nondimensional values: the heat release time (normalized by interparticle diffusion time) and the ignition temperature (normalized by adiabatic flame temperature). These two parameters were systematically varied for different simulations to investigate their influence on front propagation. For sufficiently fast heat release and low ignition temperature, the front roughness [defined as the root mean square deviation of the ignition temperature contour from the average flame position] grew following a power-law dependence that was in excellent agreement with the Kardar-Parisi-Zhang (KPZ) universality class (β=1/3). As the reaction time was increased, lower values of the roughening exponent were observed, and at a sufficiently great value of reaction time, reversion to a steady, constant-width thermal flame was observed that matched the solution from classical combustion theory. Deviation away from KPZ scaling was also observed as the ignition temperature was increased. The features of this system that permit it to exhibit both KPZ and non-KPZ scaling are discussed.