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NASA NTRS2003

Computational and Experimental Flow Field Analyses of Separate Flow Chevron Nozzles and Pylon Interaction

A computational and experimental flow field analyses of separate flow chevron nozzles is presented. The goal of this study is to identify important flow physics and modeling issues required to provide highly accurate flow field data which will later serve as input to the Jet3D acoustic prediction code. Four configurations are considered: a baseline round nozzle with and without a pylon, and a chevron core nozzle with and without a pylon. The flow is simulated by solving the asymptotically steady, compressible, Reynolds-averaged Navier-Stokes equations using an implicit, up-wind, flux-difference splitting finite volume scheme and standard two-equation kappa-epsilon turbulence model with a linear stress representation and the addition of a eddy viscosity dependence on total temperature gradient normalized by local turbulence length scale. The current CFD results are seen to be in excellent agreement with Jet Noise Lab data and show great improvement over previous computations which did not compensate for enhanced mixing due to high temperature gradients.

Massey, Steven J.↗

NASA NTRS1991

Transverse injection into Mach 2 flow behind a rearward-facing step - A 3-D, compressible flow test case for hypersonic combustor CFD validation

A spatially-complete data set of the important primitive flow variables is presented for the complex, nonreacting, 3D unit combustor flow field employing transverse injection into a Mach 2 flow behind a rearward-facing step. A unique wind tunnel facility providing the capability for iodine seeding was built specifically for these measurements. Two optical techniques based on laser-induced-iodine fluorescence were developed and utilized for nonintrusive, in situ flow field measurements. LDA provided both mean and fluctuating velocity component measurements. A thermographic phosphor wall temperature measurement technique was developed and employed. Data from the 2D flow over a rearward-facing step and the complex 3D mixing flow with injection are reported.

Mcdaniel, James C.↗

DOE OSTI2017

A New Multiphase Equation of State for SiO 2

SiO 2 is found as α-quartz at ambient conditions. Under shock compression, it transforms into a much higher density stishovite-like phase around 20 GPa, then into a liquid phase above 100 GPa. The SESAME library contains older equations of state for α-quartz, polycrystalline quartz, and fused quartz. These equations of state model the material as a single phase; i.e., there is no high pressure phase transition. Somewhat more recently (in 1992), Jon Boettger published equations of state for α-quartz, coesite, and stishovite, along with a phase transition model to mix them. However, we do not have a multiphase EOS that captures the phase transitions in this material. Others are working on a high-accuracy model for very high pressure SiO 2 , since liquid quartz is used as an impedance matching standard above 100 GPa; however, we are focused on the 10-50 GPa range. This intermediate pressure range is most relevant for modeling the decomposition products of silicone polymers such as Sylgard 184 and SX358.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Numerical and Experimental Investigations on the Ignition Behavior of OME

On the path towards climate-neutral future mobility, the usage of synthetic fuels derived from renewable power sources, so-called e-fuels, will be necessary. Oxygenated e-fuels, which contain oxygen in their chemical structure, not only have the potential to realize a climate-neutral powertrain, but also to burn more cleanly in terms of soot formation. Polyoxymethylene dimethyl ethers (PODE or OMEs) are a frequently discussed representative of such combustibles. However, to operate compression ignition engines with these fuels achieving maximum efficiency and minimum emissions, the physical-chemical behavior of OMEs needs to be understood and quantified. Especially the detailed characterization of physical and chemical properties of the spray is of utmost importance for the optimization of the injection and the mixture formation process. The presented work aimed to develop a comprehensive CFD model to specify the differences between OMEs and dodecane, which served as a reference diesel-like fuel, with regards to spray atomization, mixing and auto-ignition for single- and multi-injection patterns. The simulation results were validated against experimental data from a high-temperature and high-pressure combustion vessel. The sprays’ liquid and vapor phase penetration were measured with Mie-scattering and schlieren-imaging as well as diffuse back illumination and Rayleigh-scattering for both fuels. To characterize the ignition process and the flame propagation, measurements of the OH* chemiluminescence of the flame were carried out. Significant differences in the ignition behavior between OMEs and dodecane could be identified in both experiments and CFD simulations. Liquid penetration as well as flame lift-off length are shown to be consistently longer for OMEs. Zones of high reaction activity differ substantially for the two fuels: Along the spray center axis for OMEs and at the shear boundary layers of fuel and ambient air for dodecane. Additionally, the transient behavior of high temperature reactions for OME is predicted to be much faster.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1978

Reynolds number and pressure gradient effects on compressible turbulent boundary layers

A detailed investigation of attached supersonic turbulent boundary layers over an extensive range of Reynolds numbers (12 x 10 to the 6th to 314 x 10 to the 6th) is presented. Experimental measurements were obtained for adverse pressure gradients ranging in magnitude from those of previous investigations to those approaching separation. The measurements include mean values of surface pressure and skin-friction, mean-flow profiles, and profiles of the three turbulent velocity fluctuation components and turbulent shear stress. Numerical solutions, employing three turbulence models of various degrees of complexity have been compared with the details of the measured flow fields. Generally, it was found that the more sophisticated turbulence models are superior to a mixing length model for predicting the Reynolds number and pressure gradient effects. However, some details of the turbulent fluctuations as well as the exact Reynolds number trends indicated by the data were not accurately predicted with any of the turbulence models considered.

Acharya, M.↗

NASA NTRS1992

Turbulent reacting flow computations including turbulence-chemistry interactions

A two-equation (k-epsilon) turbulence model has been extended to be applicable for compressible reacting flows. A compressibility correction model based on modeling the dilatational terms in the Reynolds stress equations has been used. A turbulence-chemistry interaction model is outlined. In this model, the effects of temperature and species mass concentrations fluctuations on the species mass production rates are decoupled. The effect of temperature fluctuations is modeled via a moment model, and the effect of concentration fluctuations is included using an assumed beta-pdf model. Preliminary results obtained using this model are presented. A two-dimensional reacting mixing layer has been used as a test case. Computations are carried out using the Navier-Stokes solver SPARK using a finite rate chemistry model for hydrogen-air combustion.

Narayan, J. R.↗

NASA NTRS2000

CVS Filtering of 3D Turbulent Mixing Layers Using Orthogonal Wavelets

Coherent Vortex Simulation (CVS) filtering has been applied to Direct Numerical Simulation (DNS) data of forced and unforced time-developing turbulent mixing layers. CVS filtering splits the turbulent flow into two orthogonal parts, one corresponding to coherent vortices and the other to incoherent background flow. We have shown that the coherent vortices can be represented by few wavelet modes and that these modes are sufficient to reproduce the vorticity probability distribution function (PDF) and the energy spectrum over the entire inertial range. The remaining incoherent background flow is homogeneous, has small amplitude, and is uncorrelated. These results are compared with those obtained for the same compression rate using large eddy simulation (LES) filtering. In contrast to the incoherent background flow of CVS filtering, the LES subgrid scales have a much larger amplitude and are correlated, which makes their statistical modeling more difficult.

Schneider, Kai↗

NASA NTRS2015

Development of a Premixed Combustion Capability for Scramjet Combustion Experiments

Hypersonic air-breathing engines rely on scramjet combustion processes, which involve high speed, compressible, and highly turbulent flows. The combustion environment and the turbulent flames at the heart of these engines are difficult to simulate and study in the laboratory under well controlled conditions. Typically, wind-tunnel testing is performed that more closely approximates engine testing rather than a careful investigation of the underlying physics that drives the combustion process. The experiments described in this paper, along with companion data sets being developed separately, aim to isolate the chemical kinetic effects from the fuel-air mixing process in a dual-mode scramjet combustion environment. A unique fuel injection approach is taken that produces a nearly uniform fuel-air mixture at the entrance to the combustor. This approach relies on the precombustion shock train upstream of the dual-mode scramjet combustor. A stable ethylene flame anchored on a cavity flameholder with a uniformly mixed combustor inflow has been achieved in these experiments allowing numerous companion studies involving coherent anti-Stokes Raman scattering (CARS), particle image velocimetry (PIV), and planar laser induced fluorescence (PLIF) to be performed.

Rockwell, Robert D.↗

DOE OSTI2018

Astrophysical gyrokinetics: turbulence in pressure-anisotropic plasmas at ion scales and beyond

Here, we present a theoretical framework for describing electromagnetic kinetic turbulence in a multi-species, magnetized, pressure-anisotropic plasma. The turbulent fluctuations are assumed to be small compared to the mean field, to be spatially anisotropic with respect to it and to have frequencies small compared to the ion cyclotron frequency. At scales above the ion-Larmor radius, the theory reduces to the pressure-anisotropic generalization of kinetic reduced magnetohydrodynamics (KRMHD) formulated. At scales at and below the ion-Larmor radius, three main objectives are achieved. First, we analyse the linear response of the pressure-anisotropic gyrokinetic system, and show it to be a generalization of previously explored limits. The effects of pressure anisotropy on the stability and collisionless damping of Alfvénic and compressive fluctuations are highlighted, with attention paid to the spectral location and width of the frequency jump that occurs as Alfvén waves transition into kinetic Alfvén waves. Secondly, we derive and discuss a very general gyrokinetic free-energy conservation law, which captures both the KRMHD free-energy conservation at long wavelengths and dual cascades of kinetic Alfvén waves and ion entropy at sub-ion-Larmor scales. We show that non-Maxwellian features in the distribution function change the amount of phase mixing and the efficiency of magnetic stresses, and thus influence the partitioning of free energy amongst the cascade channels. Thirdly, a simple model is used to show that pressure anisotropy, even within the bounds imposed on it by firehose and mirror instabilities, can cause order-of-magnitude variations in the ion-to-electron heating ratio due to the dissipation of Alfvénic turbulence. Our theory provides a foundation for determining how pressure anisotropy affects turbulent fluctuation spectra, the differential heating of particle species and the ratio of parallel and perpendicular phase mixing in space and astrophysical plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

A Scaling Study for Incompressible Multispecies Solver in Vertex-CFD

Multispecies incompressible flows occur widely in engineering and environmental applications, such as chemical reactors, fuel cells, ocean mixing, and biomedical systems. However, accurately resolving the complex transport and mixing phenomena associated with multiple interacting species remains computationally challenging, especially for large-scale problems. In this study, we present a robust, high-performance computing--enabled multispecies incompressible Navier–Stokes solver integrated within the Vertex-CFD framework. Our solver employs a fully coupled, implicit, finite element--based formulation that accurately captures the advection, diffusion, and interaction of multiple species in incompressible flows by leveraging the Kokkos library for parallel computing to achieve high computational efficiency. For pressure coupling, the entropically damped artificial compressibility method is utilized. We validated the solver against canonical test cases, including multispecies advection, diffusion, and Bateman systems; the results demonstrate second- and third-order spatial accuracy and consistent convergence. Additionally, we demonstrated the strong and weak scaling study results obtained on the leadership-class high-performance computing system, Frontier at Oak Ridge National Laboratory.

Oz, Furkan [ORNL] (ORCID:0000000265831724)↗

DOE OSTI2021

Oxidation behaviors of matrix-grade graphite during water vapor ingress accidents for high temperature gas-cooled reactors

Water ingress into cores of high temperature gas-cooled reactors (HTGRs) can cause serious safety problems in graphitic components, especially for matrix graphite, which is more vulnerable than nuclear graphite. Here in this study, oxidation behaviors of a matrix-grade graphite, ARB-B1, were investigated under simulated water ingress accidental conditions. The oxidation tests were conducted in water vapor/helium mixed atmospheres at elevated temperatures up to 1200 °C. Oxidation rates and activation energy were evaluated by mass loss measurements. The activation energy was 121.5 kJ/mol in the considered temperature range, indicating only one oxidation regime-in-pore diffusion assisted by cracks. The cracks originated from the fabrication process, acting as penetration paths for the oxidant, played an important role in the oxidation behaviors. Ungraphitized binder oxidation occurred at all temperatures, while apparent oxidation of filler particles started from 1100 °C. Moreover, oxidation effects on compressive properties and hardness of the matrix graphite were discussed in terms of oxidized microstructures. This first detailed study on matrix graphite oxidation in water vapor provides important kinetics knowledge and microstructural and mechanical data for accidental scenarios of HTGRs as well as for development of new matrix graphite materials.

36 MATERIALS SCIENCE↗

DOE OSTI2017

First-principles equation of state and shock compression predictions of warm dense hydrocarbons

We use path integral Monte Carlo and density functional molecular dynamics to construct a coherent set of equations of state (EOS) for a series of hydrocarbon materials with various C:H ratios (2:1, 1:1, 2:3, 1:2, and 1:4) over the range of 0.07–22.4gcm –3 and 6.7 × 10 3 – 1.29 × 10 8 K. The shock Hugoniot curve derived for each material displays a single compression maximum corresponding to K-shell ionization. For C:H = 1:1, the compression maximum occurs at 4.7-fold of the initial density and we show radiation effects significantly increase the shock compression ratio above 2 Gbar, surpassing relativistic effects. The single-peaked structure of the Hugoniot curves contrasts with previous work on higher-Z plasmas, which exhibit a two-peak structure corresponding to both K- and L-shell ionization. Analysis of the electronic density of states reveals that the change in Hugoniot structure is due to merging of the L-shell eigenstates in carbon, while they remain distinct for higher-Z elements. Lastly, we show that the isobaric-isothermal linear mixing rule for carbon and hydrogen EOS is a reasonable approximation with errors better than 1% for stellar-core conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1975

A numerical method for solving the Navier-Stokes equations with application to shock-boundary layer interactions

A numerical method for solving the compressible form of the unsteady Navier-Stokes equations is described. This method was originally presented in 1970 and has since been modified during the development of computer programs at Ames for implementing models that account for the effects of turbulence in shock-induced separated flows. Although this paper does not describe the turbulence models themselves, a complete description of the basic numerical method is given with emphasis on the choice of a computational mesh for high Reynolds number flows, finite-difference approximations for mixed partial derivatives, extension of the Courant-Friedrichs-Lewy stability condition for viscous flows, mesh boundary conditions, and numerical smoothing for strong shock-wave calculations.

Maccormack, R. W.↗

DOE OSTI2023

Experimental results from the characterization of a 32-channels mixed-signal processor for the GAPS experiment

This work describes the experimental results obtained from the characterization of a 32-channels readout ASIC that is the core of a module composed by 4 Lithium-drifted Silicon, Si(Li), detectors. The module is the building block of a tracker in an upcoming balloon experiment. The activity is carried out within the General AntiParticle Spectrometer (GAPS) international collaboration, whose objective is the indirect detection of dark matter through the detection of antiparticles present in cosmic rays at low energies. The balloon flight is foreseen in 2024 from the McMurdo station in Antarctica. The ASIC is designed in a 180 nm CMOS technology and has 32 low-noise analog readout channels featuring a dynamic compression of the signal, an 11-bit SAR ADC, and a digital back-end section responsible for channel setting and for sending digital information to the data acquisition system of the tracker. This work has a twofold goal: it intends on the one hand to verify the performance of the circuit, on the other to select at least 300 good samples to be used for the assembly of the GAPS Si(Li) tracker.

Riceputi, Elisa↗

NASA NTRS2017

Zoledronate Prevents Simulated Weightlessness-Induced Bone Loss in the Cancellous Compartment While Blunting the Efficacy of a Mechanical Loading Countermeasure

Astronauts using high-force resistance training while weightless show a high-turnover remodeling state within the skeletal system, with resorption and formation biomarkers being elevated. One countermeasure for the skeletal health of astronauts includes an antiresorptive of the bisphosphonate (BP) drug class. We asked, does the combination of an anti-resorptive and high-force exercise during weightlessness have negative effects on bone remodeling and strength? In this study, we developed an integrated model to mimic the mechanical strain of exercise via cyclical loading (CL) in mice treated with the BP Zoledronate (ZOL) combined with hind limb unloading (HU) to simulate weightlessness. We hypothesized that ZOL prevents structural degradation from simulated weightlessness and that CL and ZOL interact to render CL less effective. Thirty-two C57BL/6 mice (male, 16 weeks old, n=8/group) were exposed to 3 weeks of either HU or normal ambulation (NA). Cohorts of mice received one subcutaneous injection of ZOL (45μg/kg), or saline vehicle (VEH), prior to the start of HU. The right tibia was axially compressed in vivo 60x/day to 9N (+1200μstrain on the periosteal surface) and repeated 3x/week during HU. Left tibiae served as a within subject, non-compressed control. Ex vivo μCT was performed on all subjects to determine cancellous and cortical architectural parameters. Static and dynamic histomorphometry were carried out for the left and right tibiae to determine osteoclast- and osteoblast relevant surfaces. Further, micro damage was assessed in select groups by basic-fuchsin staining to test whether CL had an effect. For all assays, a multivariate (2x2x2) ANCOVA model was used to account for body weight changes. Additionally, for the tibiae, we incorporated a random effect for the subject (hence, a mixed model) to account for observations of both left and right tibiae within each subject. P < 0.05 was considered significant. In the cancellous compartment of the proximal tibial metaphysis, we observed a main effect from each independent variable, as determined by structural and histomorphometric assays. Specifically, as expected, ZOL showed an increase in the cancellous bone volume to total volume fraction (BV/TV, +32%) and trabecular number (+18%) compared to the VEH. As expected, ZOL decreased osteoclast surface (OC/BS) by -45% compared to VEH. Surprisingly, ZOL reduced mineralizing surface (MS/BS) and bone formation rate (BFR), indicators of osteoblast activity, by -40% and -54%, respectively, compared to VEH. Altogether, ZOL-treated mice displayed a low turnover state of remodeling in the metaphysis. In the context of skeletal aging, we speculate that ZOL prevented age-related cancellous strut loss during the experiment. As a main effect, as expected, HU decreased BV/TV by - 31% via reductions in both trabecular thickness (-11%) and number (-22%) compared to NA controls. Additionally, HU decreased MS/BS by -38% and bone formation rate (BFR) by -50% compared to NA controls. Altogether, these data are consistent with structural degradation resulting from imbalanced remodeling that favors resorption. As a main effect, CL increased BV/TV by +15% via increased trabecular thickness (+12%) compared to the noncompressed limb. As expected, CL increased MS/BS (+20%) and BFR (+24%), indicating osteoblast mineralization contributed to bone gains. These data show that CL provided an anabolic stimulus to the cancellous tissue. We observed unique interactions in ZOL*CL and HU*CL. First, ZOL prevented CL-induced increases in BV/TV and trabecular number, as compared to VEH. In the context of skeletal aging, these data suggest no added benefit from CL in the ZOL-treated mice. Interestingly, no microdamage was observed in mice that were unloaded and treated with ZOL (independent of CL). Secondly, HU prevented CL-induced increases in BFR, as compared to NA controls. These data suggest that either exercise is less effective or the kinetics of formation are slower during simulated weightlessness. Osteoclast surface was unchanged by either treatment. Thus, in contrast to exercising astronauts, these data do not suggest a high-turnover state in the metaphysis. To assess mechanical properties as a function of HU or ZOL, we tested the left femur in three-point bending ex vivo. As expected, HU decreased stiffness (-30%) compared to NA, and ZOL increased stiffness compared to VEH (+28%). Interestingly, HU increased the post-yield displacement, related to collagenous tensile loading, compared to NA (+20%). ZOL increased yield force (+11%) and ultimate force (+17%), which seems to explain the significant effect of ZOL increasing total energy (work-to-fracture, +15%), while not affecting the post yield displacement. Taken together, ZOL did not have detrimental affect on mechanical properties. Our integrated model simulates the combination of weightlessness, exercise-induced mechanical strain, and anti-resorptive treatment that astronauts experience during space missions. We conclude that Zoledronate was an effective countermeasure against weightlessness-induced bone loss, though zoledronate, as well as weightlessness, rendered exercise-related mechanical loading less effective.

bone↗

DOE OSTI2019

Characterization of Particulate Matter Emissions from Heavy-Duty Partially Premixed Compression Ignition with Gasoline-Range Fuels

In this study, the compression ratio of a commercial 15L heavy-duty diesel engine was lowered and a split injection strategy was developed to promote partially premixed compression ignition (PPCI) combustion. Various low reactivity gasoline-range fuels were compared with ultra-low-sulfur diesel fuel (ULSD) for steady-state engine performance and emissions. Specially, particulate matter (PM) emissions were examined for their mass, size and number concentrations, and further characterized by organic/elemental carbon analysis, chemical speciation and thermogravimetric analysis. As more fuel-efficient PPCI combustion was promoted, a slight reduction in fuel consumption was observed for all gasoline-range fuels, which also had higher heating values than ULSD. Since mixing-controlled combustion dominated the latter part of the combustion process, hydrocarbon (HC) and carbon monoxide (CO) emissions were only slightly increased with the gasoline-range fuels. In contrast, soot emissions were significantly reduced with the gasoline-range fuels, including a ~70% reduction in micro soot sensor measurements and a >50% reduction in smoke meter measurements. All gasoline-range fuel PM samples were also found to contain higher amount of volatile species and organic carbon fractions compared to ULSD PM samples as measured by thermogravimetric and EC-OC analyses. Various partially oxidized HC species and nitrophenolic compounds were also detected by TDP-GC-MS and CE-MS techniques, which implied that more pronounced PPCI combustion occurred with the gasoline-range fuels. As a whole similar PM oxidation behavior was observed despite the differences in reactivity and chemical properties of the fuels, even though there may be some significant impacts under certain operating conditions.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1990

Effects of compressibility on the characteristics of free shear layers

A high Reynolds number two-dimensional constant pressure compressible shear layer was formed at the trailing edge of an 0.5 mm-thick splitter plate. Convective Mach numbers of 0.51 and 0.64 were investigated using a two-component coincident LDV for the measurements. For the lower convective Mach number case, the nondimensionalized shear-layer and vorticity thickness growth rates were over 20 percent higher and the momentum thickness growth rate was over 30 percent higher than those of the higher convective Mach number case. The results seen to indicate that both small scale and large scale mixing are reduced with increasing convective Mach number.

Samimy, M.↗

DOE OSTI2022

The Impact of LPG Composition on Performance, Emissions, and Combustion Characteristics of a Pre-mixed Spark-Ignited CFR Engine

Research on alternative fuels has made significant progress as demands for cleaner and more efficient engine operation intensifies. Liquefied petroleum gas (LPG) can offer a potential alternative fuel route in the Diesel fuel dominated heavy-duty transportation sector due to its low cost, high anti-knock limit relative to gasoline, and reduced emission levels. In this work, experimental investigations are performed to study the effects of LPG compositions on performance, emissions, and combustion behavior of a spark-ignited (SI) cooperative fuel research (CFR) engine under stoichiometric conditions. Four LPG blends (chemically pure propane, a representative US blend, HD-5, and a representative European blend) representing the present LPG market are chosen. The impact of fuel composition is studied under different compression ratios (CR), ranging from 7:1 to 10:1 with one-unit increments, and at constant engine speed, intake manifold air pressure (IMAP) and 50% burn crank angle (CA50). The results show that fuel composition has minimal effect on engine efficiency over the CR range 7:1 to 10:1. Engine-out emissions are substantially affected by fuel compositions with the representative European blend indicating higher unburned hydrocarbon (UHC) emissions, particularly at higher CR. The representative US blend emits the lowest brake specific CO (bsCO) averaged over the tested CR range. With the increase of CR, end-gas autoignition intensifies for all blends and the representative European blend demonstrates the highest knock intensity of all tested blends, due to the presence of the more reactive fuel component, n-butane.

Fosudo, Toluwalase↗