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At least 1,639 records · Page 91

An experimental and kinetic modeling study of the pyrolysis of isoprene, a significant biogenic hydrocarbon in naturally occurring vegetation fires

Isoprene dominates the carbon flux emitted by vegetation and constitutes 40% of non-methane biogenic emissions worldwide. Despite pyrolysis experiments at temperatures above 1000 K showing a link between isoprene combustion and aromatic species formation, comprehensive mechanistic research on isoprene is scarce in the literature. Here, in this work, we carry out an experimental and theoretical study to build, for the first time, a chemical kinetic model describing isoprene pyrolysis. The formation of polycyclic aromatic hydrocarbon (PAH) precursor species, often observed in vegetation fire plumes, is partially explained by isoprene pyrolysis experiments and theoretical modeling. Molecular dynamics (MD) simulations unveil reaction pathways from allylic isoprenyl radicals to allene and cyclopentadiene (CPD) intermediates, two relevant species detected in the experiments. Rate constants for these identified pathways are calculated using variational transition state theory to update the kinetic model, which is validated against single-pulse shock tube (SPST), and jet-stirred reactor (JSR) experimental data in the temperature range of 850–1690 K. The kinetic model presents satisfactory agreement with the SPST experimental data, and a reaction pathway analysis shows that association of propargyl radicals results in benzene formation. The JSR pathway analysis also identifies the prominent reactions for CPD, benzene, styrene, and toluene formation. Our model does not reproduce the CPD experimental profiles, indicating that additional studies are necessary. Overall, our findings advance the understanding of isoprene pyrolysis and its related atmospheric pollutants in naturally occurring vegetation fires where smoldering and oxygen-deficient combustion processes are present.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Proof-of-Principle Experiment on the Dynamic Shell Formation for Inertial Confinement Fusion

In the dynamic-shell (DS) concept [Goncharov et al., Phys Rev. Lett. 125, 065001 (2020)] for laser-driven inertial confinement fusion the deuterium-tritium fuel is initially in the form of a homogeneous liquid inside a wetted-foam spherical shell. This fuel is ignited using a conventional implosion, which is preceded by a initial compression of the fuel followed by its expansion and dynamic formation of a high-density fuel shell with a low-density interior. This letter reports on a scaled-down, proof-of-principle experiment on the OMEGA laser demonstrating, for the first time, the feasibility of DS formation. A shell is formed by convergent shocks launched by laser pulses at the edge of a plasma sphere, with the plasma itself formed as a result of laser-driven compression and relaxation of a surrogate plastic-foam ball target. Three x-ray diagnostics, namely, 1-D spatially resolved self-emission streaked imaging, 2-D self-emission framed imaging, and backlighting radiography, have shown good agreement with the predicted evolution of the DS and its stability to low Legendre mode perturbations introduced by laser irradiation and target asymmetries.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulations for Planning of Liquid Hydrogen Spill Test

In order to better understand the complex pooling and vaporization of a liquid hydrogen spill, Sandia National Laboratories is conducting a highly instrumented, controlled experiment inside their Shock Tube Facility. Simulations were run before the experiment to help with the planning of experimental conditions, including sensor placement and cross wind velocity. This paper describes the modeling used in this planning process and its main conclusions. Sierra Suite’s Fuego, an in-house computational fluid dynamics code, was used to simulate a RANS model of a liquid hydrogen spill with five crosswind velocities: 0.45, 0.89, 1.34, 1.79, and 2.24 m/s. Two pool sizes were considered: a diameter of 0.85 m and a diameter of 1.7. A grid resolution study was completed on the smaller pool size with a 1.34 m/s crosswind. A comparison of the length and height of the plume of flammable hydrogen vaporizing from the pool shows that the plume becomes longer and remains closer to the ground with increasing wind speed. The plume reaches the top of the facility only in the 0.45 m/s case. From these results, we concluded that it will be best for the spacing and location of the concentration sensors to be reconfigured for each wind speed during the experiment.

08 HYDROGEN↗

Valence-bond study of the /H2, D2/ exchange reaction mechanism.

The exchange reaction of H2 with D2 to form 2 HD is important in that it is fundamentally the simplest four-body exchange reaction and should therefore represent a model system on which various theories of reactions dynamics might be tested. A number of theoretical and experimental investigations carried out on this system are reviewed. It is concluded that a Y yields T yields Y mechanism for the (H2, D2) exchange is not a low energy pathway that would make theory compatible with the shock-tube experiments of Bauer and Ossa (1966) and of Burcat and Lifshits (1967).

Freihaut, B.↗

Combined ultraviolet studies of astronomical sources

Ultraviolet spectra of non-radiataive shock waves grain destruction and elemental abundances in interstellar shocks, carbon abundance in M33 and M31 from supernova remnants, determination of the mass function in the large Magellanic cloud, UV spectra of white dwarf pulsars, stellar flares, availability of the double quasar Q 0957 + 56' AB, spectra of late-F dwarfs and their relation to rotation, dynamics of hot gas surrounding hybrid stars, high resolution study of epsilon coronae Austriual, active regions on solar-type dwarfs as a function of rotation rate and age, coordinated chromospheric synoptic observations of selected late-type stars, the two-component atmosphere of Lambda Andromedae, and activity in Hyades giants are discussed.

Dupree, A. K.↗

Improving the accuracy of central difference schemes

General difference approximations to the fluid dynamic equations require an artificial viscosity in order to converge to a steady state. This artificial viscosity serves two purposes. One is to suppress high frequency noise which is not damped by the central differences. The second purpose is to introduce an entropy-like condition so that shocks can be captured. These viscosities need a coefficient to measure the amount of viscosity to be added. In the standard scheme, a scalar coefficient is used based on the spectral radius of the Jacobian of the convective flux. However, this can add too much viscosity to the slower waves. Hence, it is suggested that a matrix viscosity be used. This gives an appropriate viscosity for each wave component. With this matrix valued coefficient, the central difference scheme becomes closer to upwind biased methods.

Turkel, Eli↗

Simulations of a molecular plasma in collisional-radiative nonequilibrium

A code for the simulation of nonequilibrium plasmas is being developed, with the capability to couple the plasma fluid-dynamics for a single fluid with a collisional-radiative model, where electronic states are treated as separate species. The model allows for non-Boltzmann distribution of the electronic states. Deviations from the Boltzmann distributions are expected to occur in the rapidly ionizing regime behind a strong shock or in the recombining regime during a fast expansion. This additional step in modeling complexity is expected to yield more accurate predictions of the nonequilibrium state and the radiation spectrum and intensity. An attempt at extending the code to molecular plasma flows is presented. The numerical techniques used, the thermochemical model, and the results of some numerical tests are described.

Cambier, Jean-Luc↗

Modeling Ionospheric Convection During a Major Geomagnetic Storm on October 22-23, 1981

Following the passage of an interplanetary shock at approximately 0500 UT, a major geomagnetic storm developed on October 22-23, 1981. Numerous auroral substorms occurred during this storm leading to an AE index greater than 1000 nT. We have used the expanding/contracting polar cap (ECPC) model (Moses et al., 1989) and data from the Dynamics Explorer 2 spacecraft to study the ionospheric electric fields for 12 consecutive traversals of the polar regions. The ECPC model can determine the voltage drops across the dayside merging and nightside reconnection gaps. We determined the relationship of the AL index (i.e., the intensity of the westward electrojet) to the nightside reconnection potential drop. An excellent linear correlation was found between the nightside reconnection gap voltage drop and the AL index. These results show that the solar wind strongly drives the magnetosphere-ionosphere system throughout the geomagnetic storm. A substantial level of dayside merging seems to occur throughout the event. Nightside reconnection varies from satellite pass to satellite pass and within the substorm recovery phase. We find that tail reconnection is an important feature of the recovery phase of substorms.

Moses, J. J.↗

Interaction of Strong Transient Interplanetary Disturbances with the Dayside Magnetosphere

The objective of the investigation was to gain an understanding of the complex response of the magnetosphere to strong transient interplanetary disturbances. Because the project was only funded for a year, the investigation focused on only one of the three topics proposed in the original three year proposal. We investigated the response of the dayside auroral region to strong transient interplanetary disturbances. The method of the investigation was to use three-dimensional magnetohydrodynamic (MHD) simulations that employ measurements of the solar wind conditions upstream the bow shock to model actual events and then to compare the simulation results with observations from spacecraft located at downstream locations. We modeled an event that occurred on July 14,2000, for which both CLUSTER and IMAGE simultaneous observations were available. The event was marked by high solar wind dynamic pressure and a strong IMF By component. Comparisons showed a very good agreement between intensifications in the auroral emissions measured by IMAGE

Berchem, Jean↗

Numerical Study of Flow Augmented Thermal Management for Entry and Re-Entry Environments

The use of a flow augmented thermal management system for entry and re-entr environments is one method for reducing heat and drag loads. This concept relies on jet penetration from supersonic and hypersonic counterflowing jets that could significantly weaken and disperse the shock-wave system of the spacecraft flow field. The objective of this research effort is to conduct parametric studies of the supersonic flow over a 2.6% scale model of the Apollo capsule, with and without the counterflowing jet, using time-accurate and steady-state computational fluid dynamics simulations. The numerical studies, including different freestream Mach number angle of attack counterflowing jet mass flow rate, and nozzle configurations, were performed to examine their effect on the drag and beat loads and to explore the counternowing jet condition. The numerical results were compared with the test data obtained from transonic blow-down wind-tunnel experiments conducted independently at NASA MSFC.

Cheng, Gary C.↗

Turbulence Simulations of Transonic Flows over NACA-0012 and OAT15A Airfoils

Three different simulation approaches, namely unsteady Reynolds-averaged Navier-Stokes (URANS), delayed detached-eddy simulation (DDES), and wall-modeled large-eddy simulation (WMLES) are employed to simulate transonic flow over an NACA-0012, OAT15A airfoils at different angles of attack covering pre- and post-buffet-onset regimes. The freestream Mach number is 0.75, and the Reynolds number based on the chord length is 10 and 3million, respectively. The NASA FUN3D solver is used for the simulations, which is an unstructured, compressible flow solver. The URANS simulations are performed using the Spalart-Allmaras (SA) model with the compressibility correction, the DDES predictions are based on the SA model, and the WMLES are performed using an equilibrium wall-model. The unsteady RANS simulations, only with the compressibility correction, predict the pre- and post- buffet characteristics, which compare well with the experimental results. DDES results predicted a lower buffet onset angle compared to experiment. The predicted shock locations are upstream of the locations predicted by URANS. Using a fine grid in the spanwise direction, WMLES predictions show buffeting consistent with the experiment.

Computational Fluid Dynamics↗

Turbulence Simulations of Transonic Flows over NACA-0012 and OAT15A Airfoils

Three different simulation approaches, namely unsteady Reynolds-averaged Navier-Stokes (URANS), delayed detached-eddy simulation (DDES), and wall-modeled large-eddy simulation (WMLES) are employed to simulate transonic flow over an NACA-0012, OAT15A airfoils at different angles of attack covering pre- and post-buffet-onset regimes. The freestream Mach number is 0.75, and the Reynolds number based on the chord length is 10 and 3million, respectively. The NASA FUN3D solver is used for the simulations, which is an unstructured, compressible flow solver. The URANS simulations are performed using the Spalart-Allmaras (SA) model with the compressibility correction, the DDES predictions are based on the SA model, and the WMLES are performed using an equilibrium wall-model. The unsteady RANS simulations, only with the compressibility correction, predict the pre- and post- buffet characteristics, which compare well with the experimental results. DDES results predicted a lower buffet onset angle compared to experiment. The predicted shock locations are upstream of the locations predicted by URANS. Using a fine grid in the spanwise direction, WMLES predictions show buffeting consistent with the experiment.

Computational Fluid Dynamics↗

Dynamics of the inverse pinch.

Experiments are performed on the plasma produced in a large inverse pinch using argon with no applied magnetic fields or preheating. A direct observation is made of the precursor ionization which initially raises the electron temperature and electrical conductivity. Calculations show that most of the mass is entrained in the current sheet, but that less than complete sweeping occurs at the lower velocities. The shock which is embedded in the current sheet closely resembles an ordinary gasdynamic shock. Consideration of the shock jump condition derived from the induction equation is shown to determine the frequent inability of the shock to separate from the current sheet.

Weisbach, M. F.↗

Model reduction for hypersonic aerodynamics via conservative LSPG projection and hyper-reduction

High-speed aerospace engineering applications rely heavily on computational fluid dynamics (CFD) models for design and analysis due to the expense and difficulty of flight tests and experiments. This reliance on CFD models necessitates performing accurate and reliable uncertainty quantification (UQ) of the CFD models. However, it is very computationally expensive to run CFD for hypersonic flows due to the fine grid resolution required to capture the strong shocks and large gradients that are typically present. Furthermore, UQ approaches are “many-query” problems requiring many runs with a wide range of input parameters. One way to enable computationally expensive models to be used in such many-query problems is to employ projection-based reduced-order models (ROMs) in lieu of the (high-fidelity) full-order model. In particular, the least-squares Petrov–Galerkin (LSPG) ROM (equipped with hyper-reduction) has demonstrated the ability to significantly reduce simulation costs while retaining high levels of accuracy on a range of problems including subsonic CFD applications. This allows computationally inexpensive LSPG ROM simulations to replace the full-order model simulations in UQ studies, which makes this many-query task tractable, even for large-scale CFD models. This work presents the first application of LSPG to a hypersonic CFD application. In particular, we present results for LSPG ROMs of the HIFiRE-1 in a three-dimensional, turbulent Mach 7.1 flow, showcasing the ability of the ROM to significantly reduce computational costs while maintaining high levels of accuracy in computed quantities of interest.

Fluid Dynamics↗

Double sided measurements and associated error bars for planar samples or subassemblies

Many of the high energy density (HED) experiments use targets with planar components usually in a multilayer stack as the physics package which is at the heart of the experiment. The physics package contains the sample part under study as well as other components as shown in Fig. 1, that when exposed to the laser drive applies pressure onto or shock the main component to take it to the desired state in the phase diagram. These other components may include the ablator, pusher, x-ray pre-heat shield, window or other special components. The components are usually glued together. Currently, experiments on NIF and Omega in the Dynamic Materials campaign use several platforms such as Diffraction, EOS and Strength (Ref 1-3) which all use such planar stack physics packages.

42 ENGINEERING↗

The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

Grossman, B.↗

CFD code evaluation for internal flow modeling

Research on the computational fluid dynamics (CFD) code evaluation with emphasis on supercomputing in reacting flows is discussed. Advantages of unstructured grids, multigrids, adaptive methods, improved flow solvers, vector processing, parallel processing, and reduction of memory requirements are discussed. As examples, researchers include applications of supercomputing to reacting flow Navier-Stokes equations including shock waves and turbulence and combustion instability problems associated with solid and liquid propellants. Evaluation of codes developed by other organizations are not included. Instead, the basic criteria for accuracy and efficiency have been established, and some applications on rocket combustion have been made. Research toward an ultimate goal, the most accurate and efficient CFD code, is in progress and will continue for years to come.

Chung, T. J.↗

Interface Instabilities in the Interstellar Medium

In the present communication, we reexamine two limiting cases of star-forming mechanisms involving self-gravity, thermodynamics, and velocity fields, that we believe must be ubiquitous in the ISM -- the generally oblique collision of supersonic gas streams or turbulent eddies. The general case of oblique collisions has not yet been examined. However, two limiting cases have been studied in detail: (1) The head-on collision of two identical gas streams that form dense, cool accretion shocks that become unstable and may form Jeans mass clouds, which subsequently undergo collapse. (2) Linearly unstable tangential velocity discontinuities, which result in Kelvin-Helmholtz (K-H) instabilities and related phenomena. The compressible K-H instabilities exhibit rich and unexpected behaviors. Moreover a new thermal-dynamic (T-D) mode was discovered that arises from the coupling of the perturbed thermal behavior and the unperturbed flow. The T-D mode has the curious characteristic that it may be strongly unstable to interface modes when the global modes in either medium are absolutely thermally stable. In the present communication additional models of case 1 are described and discussed, and self-gravity is added in the linear theory of tangential discontinuities, case 2. We prove that self-gravity fundamentally changes the behavior of interfacial modes -- density discontinuities (or steps) are inherently unstable on roughly the free-fall timescale of the denser medium to perturbations of all wavelengths.

Hunter, J. H., Jr.↗