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DOE OSTI2024

Large-Eddy Simulation Study of Flow and Combustion Dynamics in a Full-Scale Hydrogen–Air Rotating Detonation Combustor-Stator Integrated System

In the present work, a first-of-its-kind three-dimensional (3D) large-eddy simulation (LES) study is conducted to numerically investigate the combustion dynamics as well as aero-thermal phenomena in a full-scale nonpremixed hydrogen–air rotating detonation engine (RDE) (with a diverging-shaped lower-end wall), when integrated with nozzle guide vanes (NGV) acting as the turbine stator. The wall-modeled LES framework incorporates hydrogen–air detailed chemical kinetics and adaptive mesh refinement (AMR). A comparative analysis is carried out for two operating conditions with different fuel/air mass flow rates but global equivalence ratio of unity, and considering RDE configurations without and with stator. The LES model is validated against available experimental data for the low mass flux condition with respect to detonation wave speed/height, wave dynamics, and axial static pressure distribution. Numerical results indicate significant deflagrative combustion occurring in the fill region near the inner wall due to formation of recirculation zones in the injection near-field driven by the backward facing step. The leading detonation wave is found to be trailed by an azimuthal reflected-shock combustion (ARSC) wave, consistent with experimental observations, which consumes unburned vitiated reactants that leak through the main detonation wave. The main detonation wave characteristics, such as detonation wave speed/height and combustion efficiency, do not change appreciably with the presence of NGV. A novel combustion diagnostic technique based on chemical explosive mode analysis (CEMA) is employed to quantify the fraction of heat release occurring in the detonative mode versus deflagrative mode for the simulated conditions. The exit flow is found to be nearly fully subsonic and supersonic for the low and high mass flux conditions, respectively. Further analysis of the exit flow profiles shows that the presence of NGV renders the flow more axial and significantly impacts the exit Mach number and total pressure, while the total temperature shows negligible change. In addition, the low mass flux operating point, despite exhibiting more deflagrative losses within the combustor, yields overall lower pressure drop from plenum to exhaust, which is mainly attributed to lower pressure drop across the injectors. Lastly, the rotating detonation engine-nozzle guide vanes (RDE-NGV) configuration exhibits higher total pressure loss compared to rotating detonation engine (RDE) without stator across both the mass flux conditions. In conclusion, this study extends the state-of-the-art in numerical modeling of pressure gain combustion (PGC) systems by demonstrating high-fidelity 3D reacting LES of full-scale RDE-NGV systems relevant to RDE-turbine integration for stationary power generation.

Combustion↗

DOE OSTI2025

Hypersonic Jets of Detonation Products in the Hydrodynamic Collapse of Macroscopic Voids

Localizing the energetic output from detonation waves has been a long-standing challenge in applied detonation physics. Here, energy localization is achieved via machined millimeter scale voids in pressed samples of PBX 9501, an HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane)-based plastic bonded explosive. A main mechanism of energy localization in these systems, the formation of hydrodynamic jets of dense product gases, is characterized experimentally using a semicylindrical geometry in witness plate impact experiments and streak imaging of the jet propagating into the air. The distance at which the jet is optimally developed is identified and the supersonic flow structure in the vicinity of this feature is explored using hydrocode simulations. This analysis found that most of the kinetic energy of the hydrodynamic jet arises from pressure gradients induced by geometrically mediated squeeze flow lateral to the direction of detonation propagation. This work presents a new development in the control of energetic output from detonation waves and applications to detonation wave shaping are discussed.

42 ENGINEERING↗

DOE OSTI2021

Elevated Inlet Temperature Effects on the Operation of a Rotating Detonation Combustor

This experimental work explores the impact of elevated inlet temperatures on a H2/air operated rotating detonation combustor (RDC) without a nozzle. In practical systems, the temperature of the inlet air would be higher than that found in many laboratory settings. Inlet air pre-heating up to 480 K was accomplished by using an integrated pebble-bed heater. The operation of the RDC was found to switch from a single detonation wave at ambient temperature to two, counter-rotating detonation waves at higher temperatures for some of the conditions tested. In addition, the detonation wave properties (i.e., speed and pressure ratio) were impacted by the elevated inlet temperature. The cause of the observed changes in the operation dynamics was explored by evaluating the existence of secondary waves prior to the operational mode change and the changes in the cycle-averaged inlet Mach number.

Feleo, Alexander↗

DOE OSTI2020

Effects of Turbulence and Temperature Fluctuations on Knock Development in an Ethanol/Air Mixture

The effects of turbulence on knock development and intensity for a thermally inhomogeneous stoichiometric ethanol/air mixture at a representative end-gas autoignition condition in internal combustion engines are investigated using direct numerical simulations with a skeletal reaction mechanism. Two- and three-dimensional simulations are performed by varying the most energetic length scale of temperature, $l_T$ , and its relative ratio with the most energetic length scale of turbulence, $l_T/l_e$ , together with two different levels of the turbulent velocity fluctuation, $u'$ . It is found that $l_T$ / $l_e$ and the ratio of ignition delay time to eddy-turnover time, $\tau _{ig}/\tau _t$ , are the key parameters that control the detonation development. An increase in either $l_T$ or $l_e$ enhances the detonation propensity by allowing a longer run-up distance for the detonation development. The characteristic length scale of the temperature field, $l_T$ , is significantly modified by high turbulence intensity achieved by a large $l_e$ and $u'$ . The intense turbulence mixing effectively distributes the initial temperature field to broader scales to support the developing detonation waves, thereby increasing the likelihood of the detonation formation. On the contrary, high turbulence intensity with a short mixing time scale, achieved by a small $l_e$ and a large $u'$ , reduces the super-knock intensity attributed to the finer broken-up structures of detonation waves. Either $\tau _{ig}/\tau _t$ less than unity or $l_e = l_T$ even with a large $u'$ is found to have no significant effect on super-knock mitigation. Finally, high turbulent intensity may induce high-pressure spikes comparable to the von Neumann spike. Overall, increased temperature and pressure by combustion heating, noticeably after the peak of heat release rate, significantly enhance the collision and interaction of multiple emerging autoignition fronts near the ending combustion process, resulting in localized high-pressure spikes.

42 ENGINEERING↗

DOE OSTI2022

Numerical Study on the Effect of Methane Doping in Hydrogen-Air Rotating Detonation Engines for Various Temperatures and Pressures

Rotating detonation engines (RDEs) have gained attention as a promising technology for future aviation engines. However, the numerical studies of these systems pose severe challenges due to the broad range of spatial and temporal scales. In this study, we use an adaptive mesh refinement based compressible, reactive solver PeleC to resolve the broad range of scales and accurately capture shock and detonation waves using high-resolution numerical schemes. Multi- species transport along with compressible Navier-Stokes equations are solved in the model along with a finite-rate based chemistry model. Embedded boundary method is used to model the complex geometry consisting of discrete fuel nozzles and the combustion chamber. The fuel consisting predominantly of hydrogen is doped with varying levels of methane while air is used as the oxidizer. For a specified total pressure and temperature, the number of stable detonation waves is found to decrease with increasing methane concentration in the fuel mixture. Additionally, no stable detonation solutions are observed for methane composition higher than 20% by volume for the range of operating conditions studied (300-900K, 10 Atm). The increased presence of high temperature zones is also indicative of higher thermal NOx emissions at low methane concentrations. The effect of fuel-air mixture composition and temperature on the detonability, detonation wave structure, mode transitions and their stability are analyzed in this study in addition to their implication on NOx emission.

automatic mesh refinement↗

DOE OSTI2023

Linear shaped-charge jet optimization using machine learning methods

Linear shaped charges are used to focus energy into rapidly creating a deep linear incision. The general design of a shaped charge involves detonating a confined mass of high explosive (HE) with a metal-lined concave cavity on one side to produce a high velocity jet for the purpose of striking and penetrating a given material target. This jetting effect occurs due to the interaction of the detonation wave with the cavity geometry, which produces an unstable fluid phenomenon known as the Richtmyer–Meshkov instability and results in the rapid growth of a long narrow jet. We apply machine learning and optimization methods to hydrodynamics simulations of linear shaped charges to improve the simulated jet characteristics. The designs that we propose and investigate in this work generally involve modifying the behavior of the detonation waves prior to interaction with the liner material. These designs include the placement of multiple detonators and the use of metal inclusions within the HE. In conclusion, we are able to produce a linear shaped-charge design with a higher penetration depth than the baseline case that we consider and accomplish this using the same amount of or less HE.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Numerical Analysis of Combustion Dynamics in a Full-Scale Rotating Detonation Rocket Engine using Large Eddy Simulations

Large eddy simulations (LES) using detailed chemistry and leveraging adaptive mesh refinement (AMR) are performed to gain insights into the combustion dynamics within a full-scale methane-oxygen non-premixed rotating detonation rocket engine (RDRE) employing impinging discrete injection schemes. In particular, a comparative analysis of two operating conditions corresponding to the same global equivalence ratio but different mass flow rates is carried out to investigate the resultant impact on detonation wave characteristics and RDRE global performance. Multiple co-rotating detonation waves with spatially-distributed wave structure and preferential alignment with the inner wall of the annulus (due to asymmetry in fuel distribution) are encountered under both conditions. Both cases exhibit pre-detonation deflagrative burning in the fill region, while one of the cases shows higher susceptibility to backflow into the feed plenums due to lower plenum pressures. Furthermore, heat release analysis shows that the thrust obtained from the RDRE is closely linked to the distribution of total heat release between detonative and deflagrative combustion. On the other hand, combustion efficiency is associated with the fraction of heat release occurring in fuel-rich versus fuel-lean regions within the RDRE.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Mass flow rate effect on a rotating detonation combustor with an axial air injection

Changing the flow rate of reactants being injected into a rotating detonation combustor (RDC) results in interesting behavior of the system. Prior studies have found that an increase in mass flow rate gradually increases the detonation wave speed before splitting the wave into multiple fronts. Here, the focus of this study is in understanding the physics of such behavior through a combination of experiments and numerical simulations. For this purpose, the axial air inlet-based RDC geometry is used. In the experiments, the wave velocity increased similar to prior studies. Corresponding full-scale simulations show that increase in mass flow rate by increasing pressure of the feed plenums shortens the recovery time of the injectors. This causes a more uniform fuel–air mixture to form prior to the arrival of the detonation wave. As a result, a more ideal detonation is observed, which leads to an increased wave velocity. Details of the detonation structure and variation with mass flow rate are analyzed. The presence and variation of the different deflagration zones in such non-premixed RDCs are also discussed.

42 ENGINEERING↗

DOE OSTI2020

Steady detonation propagation in thin channels with strong confinement

We examine asymptotically the dynamics of two-dimensional, steady detonation wave propagation and failure for a strongly confined high explosive (HE), in which the width of the explosive is small relative to the reaction zone length. An energy balance equation is derived, which shows how the longitudinal acceleration of subsonic flow behind the detonation shock is influenced both by chemical reaction and by the effects of HE boundary streamline deflection, specifically via the induced rate of change of mass flux through the detonation wave. The latter serves to either counteract or reinforce the acceleration of longitudinal flow, depending on the sign of the gradient of the boundary streamline deflection at the detonation shock. The analysis is valid for general equations of state and chemical reaction rates in the HE. The asymptotically derived form of the energy equation represents an eigenvalue problem for the determination of the steady detonation propagation speed, solved via a shooting method. We explore specific results for ideal and stiffened equations of state, along with a pressure-dependent reaction rate for which changes in the pressure exponent and reaction order are also studied. We consider the influences of both straight and curved HE boundary streamline shapes. The asymptotic analysis reveals significant physical insights into how detonation propagation and failure are affected by strong confinement.

42 ENGINEERING↗

DOE OSTI2024

A block-spectral adaptive H-/$p$-refinement strategy for shock-dominated problems

An adaptive H-/p-refinement strategy using a novel sensor is devised and tested in a block-spectral compressible Euler code equipped with adaptive-mesh refinement (AMR) and high-order flux-reconstruction numerics. At each Gauss quadrature point (or solution point) within each spectral block (or mesh element) the discrete velocity jump ΔU = ∂U/∂y 1 Δy 1 + ∂V/∂y 2 Δy 2 + ∂W/∂y 3 Δy 3 is calculated and normalized by the local speed of sound, a. Here, the grid spacing, Δx i , is calculated in each direction as the distance between auxiliary Gauss-Lobatto points, staggered relative to the solution points. The polynomial order is increased from p = 0 to p = p max in regions of weak compression, (ΔU/a) crit < ΔU/a < 0 and kept at p = p max in regions of flow expansion ΔU/a ≥ 0, while staying at the H = 0 base mesh level. Regions experiencing strong compressions, i.e. ΔU/a < (ΔU/a) crit , are H-refined up to H = H max where H max is applied at the location of maximum compression, ΔU/a = min(ΔU/a) in the domain, while keeping p = 0 to guarantee robustness and monotonicity of the solution in the H refined region. The critical value of (ΔU/a) crit = -0.06 is found to effectively separate smooth and non-smooth solution regions, supported by a 1D detonation initiation test case in ideal gas and a shock-to-detonation transition in high explosives. Using this value, the Sod shock tube, Shu-Osher problem, double Mach reflection and a 2D detonation in a high-explosive are simulated with the proposed adaptive H-/p-refinement. In the Sod shock tube case, p-refinement resolves the (weak) contact discontinuity while H-refinement enhances the grid resolution in the shock exploiting the monotonicity of the p = 0 reconstruction. For the Shu-Osher problem, p-refinement captures the small-scale oscillations trailing the shock that would be otherwise attenuated, while H-refinement triggered by the ΔU-sensor appropriately tracks the shock. In the double Mach reflection problem, H-refinement confines the numerical diffusion around the reflected shock while p-refinement recaptures many physical features trailing the shock. Finally, in the 2D high-explosive detonation case, H-refinement follows the leading shock and resolves the curvature of the detonation wave, while p-refinement adds resolution to the trailing reaction zone. Finally, the proposed methodology is tested in a detonation-wave propagation test case in high-explosives with numerical predictions comparing favorably against experiments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Numerical and boundary condition effects on the prediction of detonation engine behavior using detailed numerical simulations

High-fidelity numerical simulations of an experimental rotating detonation engine with discrete fuel/air injection were conducted. A series of configurations with different feed-plenum pressures but with constant equivalence ratio were studied. Detailed chemical kinetics for the hydrogen/air system is used. A resolution study for the full rotating detonation engine (RDE) system simulation is also conducted. Two kinds of boundary conditions, a total pressure boundary and a constant mass flow rate boundary, are used to assess the effects of the inlet boundary. As mass flow rate is increased, the total pressure boundary causes more error in the axial pressure distribution while the constant mass flow rate gives a better solution for all cases ran. The simulations confirm experimental findings, and reproduce qualitative as well as some of the quantitative trends. These results demonstrate that a) fuel-air mixing is highly non-uniform within the detonation chamber, leading to variations in local equivalence ratio, b) the fuel and oxidizer injectors experience significant backflow as the detonation wave passes over, but recover at different rates which further augments the inefficiencies in mixing, and c) parasitic combustion in the mixing region makes the detonation wave weak by extending the reaction zone across the wave.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Explosively driven Richtmyer–Meshkov instability jet suppression and enhancement via coupling machine learning and additive manufacturing

The ability to control the behavior of fluid instabilities at material interfaces, such as the shock-driven Richtmyer–Meshkov instability, is a grand technological challenge with a broad number of applications ranging from inertial confinement fusion experiments to explosively driven shaped charges. In this work, we use a linear-geometry shaped charge as a means of studying methods for controlling material jetting that results from the Richtmyer–Meshkov instability. A shaped charge produces a high-velocity jet by focusing the energy from the detonation of high explosives. The interaction of the resulting detonation wave with a hollowed cavity lined with a thin metal layer produces the unstable jetting effect. By modifying the characteristics of the detonation wave prior to striking the lined cavity, the kinetic energy of the jet can be enhanced or reduced. Modifying the geometry of the liner material can also be used to alter jetting properties. We apply optimization methods to investigate several design parameterizations for both enhancing or suppressing the shaped-charge jet. This is accomplished using 2D and 3D hydrodynamic simulations to investigate the design space that we consider. We also apply new additive manufacturing methods for producing the shaped-charge assemblies, which allow for the experimental testing of complicated design geometries obtained through computational optimization. We present a direct comparison of our optimized designs with experimental results carried out at the High Explosives Application Facility at Lawrence Livermore National Laboratory.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Cylinder Test

In 1941 G.I. Taylor proposed the cylinder test as an experiment to determine the properties of explosive products. The test consists of a hollow metal cylinder containing an unreacted cylindrical charge of explosives. The charge is detonated at one end of the cylinder and, as the detonation wave propagates, the product gas expands behind it. As the product gas is produced, the pressure acting on the metal increases and begins to push the walls outward. Consider the time at which the detonation wave has reached the halfway point between the two ends of the cylinder. In front of the wave nothing has changed and the metal tube has the same initial radius. Behind the wave, the radius of the tube has expanded. The farther behind the wave a section of tube is, the larger its radius has become. The longer the wall is exposed to the pressurized gas, the more it expands, so that the radius is largest where the detonation was initiated. The metal most commonly used for this experiment is soft copper. Its material properties are well known and soft copper is also easy to shape with precision machining. During the cylinder test the radial expansion of the cylinder is measured over time and this data is used to determine the amount of work applied to the cylinder wall by the product gas as a function of time. Since volume increases in this problem, the time dependence can be seen as a volume dependence. The volume dependent work yields a path in thermodynamic space. The cylinder test experiment can be modeled using simulation. The simulation gives you the answer, but it cannot tell you why. The goal of the proposed work is to use analytic analysis methods to give insight into the simulation solution.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Modification of Richtmyer–Meshkov instabilities via layered explosive charge design

In this numerical study, we investigate the effects of layered high explosive (HE) charge design on Richtmyer–Meshkov instability (RMI) in metal plates with sinusoidal surface features. The detonation wave from the HE induces a shock in the metal target that subsequently interacts with the surface features; this results in vortex formation and ultimately RMI. Here, we seek to modify RMI by altering the detonation wave characteristics. The modification is investigated in a twofold manner: first, by varying the initial design of the unconfined surface of the target and second, by varying the charge design and composition. Within a limited scope of this design space, a wide variety of behaviors related to RMI growth are observed. Mechanistic actions, including exaggerated front curvature, behind these modifications are proposed. Charge designs, which modify RMI the most for a select target design, are then presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2023

Use of Convolutional Neural Network Image Classification and High-Speed Ion Probe Data Toward Real-Time Detonation Characterization in a Water-Cooled Rotating Detonation Engine

As rotating detonation engines (RDEs) progress in maturity, the importance of monitoring advancements toward development of active control becomes more critical. Experimental RDE data processing at time scales which satisfy real-time diagnostics will likely require the use of machine learning. This study aims to develop and deploy a novel real-time monitoring technique capable of determining detonation wave number, direction, frequency, and individual wave speeds throughout experimental RDE operational windows. To do so, the diagnostic integrates image classification by a convolutional neural network (CNN) and ionization current signal analysis. Wave mode identification through single-image CNN classification bypasses the need to evaluate sequential images and offers instantaneous identification of the wave mode present in the RDE annulus. Here, real-time processing speeds are achieved due to low data volumes required by the methodology, namely one short-exposure image and a short window of sensor data to generate each diagnostic output. The diagnostic acquires live data using a modified experimental setup alongside Pylon and PyDAQmx libraries within a python data acquisition environment. Lab-deployed diagnostic results are presented across varying wave modes, operating conditions, and data quality, currently executed at 3–4 Hz with a variety of iteration speed optimization options to be considered as future work. These speeds exceed that of conventional techniques and offer a proven structure for real-time RDE monitoring. The demonstrated ability to analyze detonation wave presence and behavior during RDE operation will certainly play a vital role in the development of RDE active control, necessary for RDE technology maturation toward industrial integration.

42 ENGINEERING↗

DOE OSTI2026

Concept of Dynamic Heat Insulation for Rotating Detonation Engines

This work introduces a new class of materials concept to dynamically reduce instantaneous heat fluxes in Rotating Detonation Engine (RDE) combustor chamber walls. The high-frequency and high-amplitude surface heat fluxes observed in RDEs arise from large instantaneous temperature differences between the detonation shockwave and chamber wall surface. These temperature gradients drive substantial energy loss and reduce the chamber gas pressure, ultimately limiting the cycle’s thermodynamic efficiency. This work introduces a concept for dynamically insulating the combustion chamber surfaces using surface layers or coatings with low thermal time scale. With such coatings, the surface temperature may follow the fluctuations of the cyclic detonation wave temperature, thus reducing the instantaneous heat flux therefore cycle-mean heat flux. To analyze these cyclic thermal phenomena, a one-dimensional analytical conduction solver was utilized with the capability to handle multilayered structures. Parametric modeling was performed using transient heat flux boundary conditions representative of a hydrogen–air RDE across a broad range of coating thermal properties and engine conditions. The coating effectiveness scaled with the product of thermal time constant and detonation wave frequency and the results were non-dimensionalized to guide future materials development. This strategy may offer benefits in increasing material survivability, reducing cooling requirements, and enhancing pressure gain.

heat transfer↗

DOE OSTI2021

Re-calibration of PBX9501 SURF model

PBX 9501 is a plastic bonded explosive composed of 95 wt % HMX and a binder; see [Gibbs and Popolato, 1980, pp. 109–119]. SURF is a reactive burn model for shock initiation and propagation of detonation waves. It has previously been calibrated for PBX 9501. Here the SURF model is recalibrated for PBX 9501; specifically, lot 730-010 at ρ = 1.837 g/cc 3 . The new calibration uses the Davis reactants and products EOS calibrated for the AWSD model [Aslam et al., 2020]. The burn rate in the shock initiation regime is fit to the Pop plot from 5 embedded gauge shock-to-detonation transition (SDT) experiments from [Gustavsen et al., 1999, see fig 12 and table 5]. In the propagation regime, the burn rate is fit to curvature effect data (detonation speed as function of front curvature); see [Aslam, 2007]. Also the burn parameters are adjusted to fit the gap-stick experiment [Hill et al., 2018]. Simulating the detonation wave speed in this experiment requires a model that is accurate for initiation with complex shock loading; in particular, a pressure decreasing gradient behind a curved lead shock. This is more difficult than calibrating to the standard SDT experiments which are 1-D and driven by a sustained shock. Simulations of the gap-stick experiment for PBX 9501 with the SURF model will be discussed in a subsequent report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2024

Equivalence Ratio Scans in a Rotating Detonation Engine

Published data for run times exceeding a few seconds in rotating detonation engines (RDEs) is rare, but long duration tests are necessary to understand both transient and persistent phenomena in RDE operation. Previous work has noted different detonation wave modes at different equivalence ratios. In the current study, multiple long-duration runs with constant air flow rate and variable equivalence ratio are conducted in a hydrogen-fueled, water-cooled RDE. Analysis of the capillary tube averaged pressure (CTAP) data reveals a strong correlation with equivalence ratio as well as a small time dependency due to transient thermal processes. Ion probe measurements are used to analyze detonation wave frequencies and modes, both of which are strongly dependent on the equivalence ratio. Mode transitions are observed to occur consistently as the equivalence ratio is traversed between 0.55 and 0.60. These transitions are also found to be a function of the direction of changing equivalence ratio (ascending or descending) and time.

Boyette, Wesley R.↗