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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

A comparison of experimental and computational results for 5 and 10 degree cones at high Mach numbers

Experiments were performed on 5 and 10 deg slender cones at a velocity of approximately 5 km/sec in the NASA-Ames ballistic ranges. The flowfields for the cones were computed using ideal-gas and chemical nonequilibrium-air parabolized Navier-Stokes codes. Experimentally determined drag coefficients and shock shapes are compared with the results of the computer codes. Both the flight-data analysis methods and the computational codes are examined to achieve the most meaningful comparison. Under the conditions of the experiments, skin-friction drag makes up approximately 50 percent of the total drag for the 5 deg cone and 30 percent of the total drag for the 10 deg cone. Computed drag coefficients of the 10 deg cone agree well with the experimental values; predictions fall below the experimental values for the 5 deg cone.

Strawa, A. W.↗

Modification of a three-dimensional supersonic nozzle analysis and comparison with experimental data

A computer program previously developed to analyze three-dimensional supersonic nozzles by the method of characteristics has been modified to study less restrictive nozzle geometries and nonuniform inlet conditions. An example indicates that a one-dimensional calculation that uses an averaged initial profile may be significantly in error. A comparison between the analysis and the data from a three-dimensional experiment shows generally good agreement between the two.

Bishop, A. R.↗

A Comparison of Experimental and Theoretical Results for Magnetic Bearings

A comprehensive program was undertaken to experimentally characterize the static and dynamic characteristics of a heteropolar magnetic bearing and to develop nonlinear theoretical models capable of accurately predicting magnetic bearing performance. This paper presents the results for the static characteristics of the magnetic bearing and a comparison with the predictions from the analytical model. The results indicate that the nonlinear theoretical model can accurately predict the static characteristics of the magnetic bearing.

Hibbs, Robert I., Jr.↗

Design, Analysis, Comparison, and Experimental Validation of Insulated Metal Substrates for High-Power Wide-Bandgap Power Modules

Direct bonded copper (DBC) substrates used in power modules have limited heat spreading and manufacturing capability due to ceramic properties and manufacturing technology. The ceramic and copper bonding is also subject to high mechanical stress due to coefficient of thermal expansion mismatch between the copper and the ceramic. For wide-bandgap (WBG) devices, it is of interest exploring new substrate technologies that can overcome some of the challenges of direct bonded copper substrates. In this technical paper, the design, analysis, and comparison of insulated metal substrates (IMSs) for high-power wide-bandgap semiconductor-based power modules are discussed. This paper starts with technical description and discussion of state-of-the-art DBC substrates with different ceramic insulators such as aluminum nitride (AlN), Al 2 O 3 , and Si 3 N 4 . Next, an introduction of IMSs and their material properties, and a design approach for SiC (silicon carbide) metal-oxide-semiconductor field-effect transistor (MOSFET)-based power modules for high-power applications is provided. The influence of dielectric thickness on the power handling capability of the substrate are also discussed. The designed IMS and DBC substrates were characterized in terms of steady-state and transient thermal performance using finite element simulation. Finally, the performance of the IMS and DBC are validated in an experimental setup under different loading and cooling temperature conditions. We report the simulation and experimental results showed that the IMS can provide high steady-state thermal performance for high-power modules based on SiC MOSFETs. Furthermore, the IMS provided enhanced transient thermal performance, which provided a reduced junction temperature when the module is operated at low fundamental output frequencies in traction drive systems.

42 ENGINEERING↗

A maximum likelihood convolutional decoder model vs experimental data comparison

This article describes the comparison of a maximum likelihood convolutional decoder (MCD) prediction model and the actual performance of the MCD at the Madrid Deep Space Station. The MCD prediction model is used to develop a subroutine that has been utilized by the Telemetry Analysis Program (TAP) to compute the MCD bit error rate for a given signal-to-noise ratio. The results indicate that that the TAP can predict quite well compared to the experimental measurements. An optimal modulation index also can be found through TAP.

Chen, R. Y.↗

Comparison of experimental and analytical predictions of rotor blade-vortex interactions using model scale acoustic data

Helicopter blade-vortex interaction (BVI) noise is studied using a model scale rotor acoustic data base and an analytical rotor wake prediction method. The variation of BVI acoustic levels with vehicle flight conditions (forward speed and disk attitude) is presented. Calculations of probable BVI locations on the rotor disk are made for a range of operating conditions using the measured acoustic signals and an acoustic ray tracing technique. Analytical predictions of possible BVI locations on the rotor disk are made using a generalized distorted wake analysis program. Comparisons of the interaction locations are made with the results of both the analytic approach and the acoustic ray tracing technique.

Martin, R. M.↗

Comparison of experimental and computational shock structure in a transonic compressor rotor

Measurement of passage shock strength in a transonic compressor rotor using a gas fluorescent technique revealed an unexpected variation in shock strength in the radial direction. An axisymmetric idealization would normally predict that the passage shock strength would gradually weaken when moving radially inward until disappearing at the sonic radius. However, the measurements indicated a sharp peak in strength at the nominal sonic radius. Blade boundary layer separation originating at this point accounts for about one half of the total rotor losses. A numerical computation of the three-dimensional inviscid flow, using time-marching techniques, has accurately predicted in general the radial and tangential variations in passage shock strength and in particular the sharp pressure peak at the nominal sonic radius. The overall shock strength was somewhat overpredicted, but this overprediction may be the result of boundary layer separation in the experiment. This paper presents comparisons between the optical density measurements and computational results and in addition a short analytical discussion which demonstrates that the sharp shock strength rise may occur in many transonic compressor rotors.

Haymann-Haber, G.↗

X-33 Computational Aeroheating/Aerodynamic Predictions and Comparisons With Experimental Data

This report details a computational fluid dynamics study conducted in support of the phase II development of the X-33 vehicle. Aerodynamic and aeroheating predictions were generated for the X-33 vehicle at both flight and wind-tunnel test conditions using two finite-volume, Navier-Stokes solvers. Aerodynamic computations were performed at Mach 6 and Mach 10 wind-tunnel conditions for angles of attack from 10 to 50 with body-flap deflections of 0 to 20. Additional aerodynamic computations were performed over a parametric range of free-stream conditions at Mach numbers of 4 to 10 and angles of attack from 10 to 50. Laminar and turbulent wind-tunnel aeroheating computations were performed at Mach 6 for angles of attack of 20 to 40 with body-flap deflections of 0 to 20. Aeroheating computations were performed at four flight conditions with Mach numbers of 6.6 to 8.9 and angles of attack of 10 to 40. Surface heating and pressure distributions, surface streamlines, flow field information, and aerodynamic coefficients from these computations are presented, and comparisons are made with wind-tunnel data.

Hollis, Brian R.↗

Navier-Stokes analysis and experimental data comparison of compressible flow within ducts

Many aircraft employ ducts with centerline curvature or changing cross-sectional shape to join the engine with inlet and exhaust components. S-ducts convey air to the engine compressor from the intake and often decelerate the flow to achieve an acceptable Mach number at the engine compressor by increasing the cross-sectional area downstream. Circular-to-rectangular transition ducts are used on aircraft with rectangular exhaust nozzles to connect the engine and nozzle. To achieve maximum engine performance, the ducts should minimize flow total pressure loss and total pressure distortion at the duct exit. Changes in the curvature of the duct centerline or the duct cross-sectional shape give rise to streamline curvature which causes cross stream pressure gradients. Secondary flows can be caused by deflection of the transverse vorticity component of the boundary layer. This vortex tilting results in counter-rotating vortices. Additionally, the adverse streamwise pressure gradient caused by increasing cross-sectional area can lead to flow separation. Vortex pairs have been observed in the exit planes of both duct types. These vortices are due to secondary flows induced by pressure gradients resulting from streamline curvature. Regions of low total pressure are produced when the vortices convect boundary layer fluid into the main flow. The purpose of the present study is to predict the measured flow field in a diffusing S-duct and a circular-to-rectangular transition duct with a full Navier-Stokes computer program, PARC3D, and to compare the numerical predictions with new detailed experimental measurements. The work was undertaken to extend previous studies and to provide additional CFD validation data needed to help model flows with strong secondary flow and boundary layer separation. The S-duct computation extends the study of Smith et al, and Harloff et al, which concluded that the computation might be improved by using a finer grid and more advanced turbulence models. The present study compares results for both the Baldwin-Lomas and k-epsilon turbulence models and is conducted with a refined grid. For the transition duct, two inlet conditions were considered, the first with straight flow and the second with swirling flow. The first case permits examination of the effects of the geometric transition on the flow field, while the second case includes the rotational flow effect characteristic of a gas turbine engine.

Harloff, G. J.↗

Modeling aerosol bolus inhalations in the human lung with the multiple path particle deposition model: Comparison with experimental data

Existing one-dimensional (1D) models of aerosol dosimetry often ignore mixing mechanisms of inhaled aerosols during their transport in the lung. This mixing or aerosol dispersion results from different physical mechanisms in different regions of the lung. It is a higher order effect, which cannot be directly captured in 1D modeling approaches, and thus is sometimes modeled as a diffusive process. Here, in this study, we improved our recently developed alveolar mixing module incorporated in the multiple path particle dosimetry model (MPPD) to account for flow irreversibility and particle trapping in the alveolar spaces, as well as mixing occurring in the tracheobronchial region. This new version of MPPD was coupled with CFPD-based predictions of aerosol bolus dispersion in the oral airway. The model was used to predict the deposition, dispersion, and mode shift of aerosol bolus inhaled at different penetration depths within the lung for breathing patterns and particle size matching those used in a previous experimental study (Darquenne et al., 2016). Even though a quite simplified approach was used, the computations appear to describe subject-specific and test-specific experimental data reasonably well. The proposed combined dispersion-deposition model can be a useful tool for targeted drug delivery and also for exposure health risk assessment.

MPPD↗

Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile

Electronically excited states characterized by intramolecular charge transfer play an essential role in many biological processes and optical devices. The ability to make quantitative ab initio predictions of the relative energetics involved is a challenging yet desirable goal, especially for large molecules in solution. In this work, we present a data set of 61 experimental measurements of absorption and emission processes, both in the gas phase and in solvents representing a broad range of polarities, which involve intramolecular charge transfer mediated by a nonzero, "twisted" dihedral angle between one or more donor and acceptor subunits. Among a variety of density functionals investigated within the framework of linear-response theory, the "optimally tuned" LRC-ωPBE functional, which utilizes a system-specific yet nonempirical procedure to specify the range-separation parameter, emerges as the preferred choice. For the entire set of excitation energies, involving changes in dipole moment ranging from 4 to >20 Debye, the mean signed and absolute errors are 0.02 and 0.18 eV, respectively (compared, e.g., to -0.30 and 0.30 for PBE0, 0.44 and 0.47 for LRC-ωPBEh, 0.83 and 0.83 for ωB97X-V). We analyze the performance of polarizable continuum solvation models available in Q-Chem that partition the solvent response into fast and slow time scales, and clear trends emerge when measurements corresponding to the four small 4-(dimethylamino)benzonitrile (DMABN)-like molecules and a charged species are excluded. We make the case that the large errors found only for small molecules in the gas phase and weak solvents cannot be expected to improve via the optimal tuning procedure, which enforces a condition that is exact only in the well-separated donor-acceptor limit, and present empirical evidence implicating the outsized importance for small donor-acceptor systems of relaxation effects that cannot be accounted for by the linear-response time-dependent density functional theory within the adiabatic approximation. Finally, we demonstrate the utility of the optimally tuned density functional approach by targeting the charge-transfer states of a large biomimetic model system for light-harvesting structures in Photosystem II.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

One-bond 13 C– 13 C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state 13 C NMR and X-ray crystallography

Methyl aldohexopyranosides were 13 C-labeled at contiguous carbons, crystallized, and studied by single-crystal X-ray crystallography and solid-state 13 C nuclear magnetic resonance (NMR) spectroscopy to examine the degree to which density functional theory (DFT) can calculate one-bond 13C–13C spin-coupling constants ( 1 J CC ) in saccharides with sufficient accuracy to permit their use in MA'AT analysis, a newly-reported hybrid DFT/NMR method that provides probability distributions of molecular torsion angles in solution (Zhang et al., J. Phys. Chem. B, 2017, 121, 3042–3058; Meredith et al., J. Chem. Inf. Model., 2022, 62, 3135–3141). Experimental 1 J CC values in crystalline samples of the doubly 13 C-labeled compounds were measured by solid-state 13 C NMR and compared to those calculated from five different DFT models: (1) 1 J CC values calculated from single structures identical to those observed in crystalline samples by X-ray crystallography (all atom refinement); (2) 1 J CC values calculated from the single structures in (1) but after Hirshfeld atom refinement (HAR); (3) 1 J CC values calculated from the single structures in (1) after DFT-optimization of hydrogen atoms only; and (4 and 5) 1 J CC values calculated in rotamers of torsion angle θ 2 (C1–C2–O2–O2H) or ω(C4–C5–C6–O6) from which either specific or generalized parameterized equations were obtained and used to calculate 1 J CC values in the specific θ 2 or ω rotamers observed in crystalline samples. Good qualitative agreement was observed between calculated 1 J CC values and those measured by solid-state 13 C NMR regardless of the DFT model, but in no cases were calculated 1 J CC values quantitative, differing (over-estimated) on average by 4–5% from experimental values. These findings, and those reported recently from solution NMR studies (Tetrault et al., J. Phys. Chem. B 2022, 126, 9506–9515), indicate that improvements in DFT calculations are needed before calculated 1 J CC values can be used directly as reliable constraints in MA'AT analyses of saccharides in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

OC7 Project Phase II: Code Comparison and Experimental Validation of Hydroelastic Effects and Member-Level Loads in Floating Structures

This paper presents results from Phase II of the OC7 project, focusing on hydroelastic modeling and member-level load prediction for a flexible floating offshore structure. Numerical predictions from 11 academic and industrial partners are validated against experimental measurements obtained from a 1:70-scale test of the VolturnUS-S semisubmersible platform. A comprehensive set of verification and validation cases is examined. The results demonstrate that hydrodynamic added mass has a significant impact on predicted elastic natural frequencies. Under regular wave excitation, the numerical models reproduce platform motions and mooring line tensions with good accuracy. Member-level loads are also predicted with reasonable accuracy. Some discrepancies are observed for potential-flow models not accounting for higher-order effects associated with the instantaneous wetted surface.

17 WIND ENERGY↗