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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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NASA NTRS1992

Computational studies of metal-metal and metal-ligand interactions

The geometric structure of Cr(CO)6 is optimized at the modified coupled-pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. A detailed comparison of the properties of free CO is therefore given, at both the MCPF and CCSD/CCSD(T) levels of treatment, using a variety of basis sets. With very large one-particle basis sets, the SSCD(T) method gives excellent results for the bond distance, dipole moment and harmonic frequency of free CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used here and in a previous study. Calculations using larger basis sets reduced the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. The remaining discrepancy between the experimental and theoretical total binding energy of Cr(CO)6 is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive se (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗

NASA NTRS2005

Validation of the NCC Code for Staged Transverse Injection and Computations for a RBCC Combustor

The NCC code was validated for a case involving staged transverse injection into Mach 2 flow behind a rearward facing step. Comparisons with experimental data and with solutions from the FPVortex code was then used to perform computations to study fuel-air mixing for the combustor of a candidate rocket based combined cycle engine geometry. Comparisons with a one-dimensional analysis and a three-dimensional code (VULCAN) were performed to assess the qualitative and quantitative performance of the NCC solver.

Ajmani, Kumud↗

NASA NTRS1993

Effects of physical aging on long-term behavior of composites

The HSCT plane, envisioned to have a lifetime of over 60,000 flight hours and to travel at speeds in excess of Mach 2, is the source of intensive study at NASA. In particular, polymer matrix composites are being strongly considered for use in primary and secondary structures due to their high strength to weight ratio and the options of property tailoring. However, an added difficulty in the use of polymer based materials is that their properties change significantly over time, especially at the elevated temperatures that will be experienced during flight, and prediction of properties based on irregular thermal and mechanical loading is extremely difficult. This study focused on one aspect of long-term polymer composite behavior: physical aging. When a polymer is cooled to below its glass transition temperature, the material is not in thermodynamic equilibrium and the free volume and enthalpy evolve over time to approach their equilibrium values. During this time, the mechanical properties change significantly and this change is termed physical aging. This work begins with a review of the concepts of physical aging on a pure polymer system. The effective time theory, which can be used to predict long term behavior based on short term data, is mathematically formalized. The effects of aging to equilibrium are proven and discussed. The theory developed for polymers is then applied first to a unidirectional composite, then to a general laminate. Comparison to experimental data is excellent. It is shown that the effects of aging on the long-term properties of composites can be counter-intuitive, stressing the importance of the development and use of a predictive theory to analyze structures.

Brinson, L. Catherine↗

NASA NTRS2005

Experimental Study of Large-Amplitude Faraday Waves in Rectangular Cylinders

Experiment on single-mode Faraday waves having two, thee, and four wavelengths across a rectangular cylinder of high aspect ratio is the subject of discussion. Previous experiments recently done by Henderson & Miles (1989) and by Lei Jiang et. a1 (1996) focused on Faraday waves with one and two wavelengths across rectangular cylinders. In this experimental study the waves steepness ranges from small at threshold levels to a large amplitude which according to Penny & Price theory (1952) approaches the maximum sustainable amplitude for a standing wave. The waves characteristics for small amplitudes are evaluated against an existing well known linear theory by Benjamin & Ursell (l954) and against a weakly nonlinear theory by J. Miles (1984) which includes the effect of viscous damping. The evaluation includes the wave neutral stability and damping rate. In addition, a wave amplitude differential equation of a linear theory including viscous effect by Cerda & Tirapegui (1998) is solved numerically to yield prediction of temporal profiles of both wave damping and wave formation at the threshold. An interesting finding from this exercise is that the fluid kinematic viscosity needs to increase ten times in order to obtain good agreement between the theoretical prediction and the experimental data for both wave damping and wave starting. For large amplitude waves, the experimental data are evaluated against the theory of Penny & Price which predicts wave characteristics of any amplitude up to the point at which the wave reaches its maximum amplitude attainable for a standing wave. The theory yields two criteria to show the maximum wave steepness, the vertical acceleration at the wave crest of half the earth gravity field acceleration and the including angle at the crest of 90 degrees. Comparison with experimental data shows close agreement for the wave crest acceleration but a large discrepancy for the including angle. Additional information is included in the original extended abstract.

Iek, Chanthy↗

NASA NTRS1992

Analysis of film cooling in rocket nozzles

Computational Fluid Dynamics (CFD) programs are customarily used to compute details of a flow field, such as velocity fields or species concentrations. Generally they are not used to determine the resulting conditions at a solid boundary such as wall shear stress or heat flux. However, determination of this information should be within the capability of a CFD code, as the code supposedly contains appropriate models for these wall conditions. Before such predictions from CFD analyses can be accepted, the credibility of the CFD codes upon which they are based must be established. This report details the progress made in constructing a CFD model to predict the heat transfer to the wall in a film cooled rocket nozzle. Specifically, the objective of this work is to use the NASA code FDNS to predict the heat transfer which will occur during the upcoming hot-firing of the Pratt & Whitney 40K subscale nozzle (1Q93). Toward this end, an M = 3 wall jet is considered, and the resulting heat transfer to the wall is computed. The values are compared against experimental data available in Reference 1. Also, FDNS's ability to compute heat flux in a reacting flow will be determined by comparing the code's predictions against calorimeter data from the hot firing of a 40K combustor. The process of modeling the flow of combusting gases through the Pratt & Whitney 40K subscale combustor and nozzle is outlined. What follows in this report is a brief description of the FDNS code, with special emphasis on how it handles solid wall boundary conditions. The test cases and some FDNS solution are presented next, along with comparison to experimental data. The process of modeling the flow through a chamber and a nozzle using the FDNS code will also be outlined.

Woodbury, Keith A.↗

NASA NTRS1991

A viscous flow study of shock-boundary layer interaction, radial transport, and wake development in a transonic compressor

A numerical study based on the 3D Reynolds-averaged Navier-Stokes equation has been conducted to investigate the detailed flow physics inside a transonic compressor. 3D shock structure, shock-boundary layer interaction, flow separation, radial mixing, and wake development are all investigated at design and off-design conditions. Experimental data based on laser anemometer measurements are used to assess the overall quality of the numerical solution. An additional experimental study to investigate end-wall flow with a hot-film was conducted, and these results are compared with the numerical results. Detailed comparison with experimental data indicates that the overall features of the 3D shock structure, the shock-boundary layer interaction, and the wake development are all calculated very well in the numerical solution. The numerical results are further analyzed to examine the radial mixing phenomena in the transonic compressor. A thin sheet of particles is injected in the numerical solution upstream of the compressor. The movement of particles is traced with a 3D plotting package. This numerical survey of tracer concentration reveals the fundamental mechanisms of radial transport in this transonic compressor.

Hah, Chunill↗

NASA NTRS1992

The influence of the Alaskan Gyre on the coastal circulation in the Gulf of Alaska

The circulation of the northeast Pacific Ocean and the Gulf of Alaska is simulated by means of a reduced-gravity wind-driven model to study seasonal and interannual flow variability. The circulation in the NE Pacific is discussed emphasizing its ramifications for the physical domain, equations, and boundary conditions of the numerical model. The pseudostress fields used to drive the model are based on 20 years of data from the Comprehensive Ocean-Atmosphere Data Set and are analyzed with empirical orthogonal function analysis. The monthly stresses from 1986-89 are used to drive the model, and regional oceanographic features are reproduced including the Alaskan Gyre, Coastal Current, the Sitka eddy, and a severe cyclonic eddy. Comparisons with experimental data show that the high-resolution baroclinic model is valid and demonstrates the applicability of reduced-gravity models.

Heim, Paul K., II↗

DOE OSTI2026

State of the art, gaps, and prospects in fusion materials theory and modelling

Advancing the theory and simulation of materials for fusion applications remains a key component of global roadmaps aimed at delivering much-needed fusion power. Especially as the drive for commercial application increases, prototypes must be designed against radiation damage before the relevant experimental data can be collected and cost reductions that are possible by testing materials in silico become even more important. Here, we summarise the state of the art as it emerged during the 7 th Fusion Materials Theory & Modelling Workshop that took place in 2024, with the aim to highlight present gaps and future directions for the fusion materials modelling community. Of particular interest were the effects of transmutations, chemical complexity with the development of novel alloys and interatomic potentials, advancements in modelling high-dose microstructures, comparison with experimental data and multiscale models for structural assessment relying on high-performance computing and virtual reality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1998

Buckling and Damage Resistance of Transversely-Loaded Composite Shells

Experimental and numerical work was conducted to better understand composite shell response to transverse loadings which simulate damage-causing impact events. The quasi-static, centered, transverse loading response of laminated graphite/epoxy shells in a [+/-45(sub n)/O(sub n)](sub s) layup having geometric characteristics of a commercial fuselage are studied. The singly-curved composite shell structures are hinged along the straight circumferential edges and are either free or simply supported along the curved axial edges. Key components of the shell response are response instabilities due to limit-point and/or bifurcation buckling. Experimentally, deflection-controlled shell response is characterized via load-deflection data, deformation-shape evolutions, and the resulting damage state. Finite element models are used to study the kinematically nonlinear shell response, including bifurcation, limit-points, and postbuckling. A novel technique is developed for evaluating bifurcation from nonlinear prebuckling states utilizing asymmetric spatial discretization to introduce numerical perturbations. Advantages of the asymmetric meshing technique (AMT) over traditional techniques include efficiency, robustness, ease of application, and solution of the actual (not modified) problems. The AMT is validated by comparison to traditional numerical analysis of a benchmark problem and verified by comparison to experimental data. Applying the technique, bifurcation in a benchmark shell-buckling problem is correctly identified. Excellent agreement between the numerical and experimental results are obtained for a number of composite shells although predictive capability decreases for stiffer (thicker) specimens which is attributed to compliance of the test fixture. Restraining the axial edge (simple support) has the effect of creating a more complex response which involves unstable bifurcation, limit-point buckling, and dynamic collapse. Such shells were noted to bifurcate into asymmetric deformation modes but were undamaged during testing. Shells in this study which were damaged were not observed to bifurcate. Thus, a direct link between bifurcation and atypical damage could not be established although the mechanism (bifurcation) was identified. Recommendations for further work in these related areas are provided and include extensions of the AMT to other shell geometries and structural problems.

Wardle, Brian L.↗

NASA NTRS2014

Overview and Summary of the Second AIAA High Lift Prediction Workshop

The second AIAA CFD High-Lift Prediction Workshop was held in San Diego, California, in June 2013. The goals of the workshop continued in the tradition of the first high-lift workshop: to assess the numerical prediction capability of current-generation computational fluid dynamics (CFD) technology for swept, medium/high-aspect-ratio wings in landing/takeoff (high-lift) configurations. This workshop analyzed the flow over the DLR-F11 model in landing configuration at two different Reynolds numbers. Twenty-six participants submitted a total of 48 data sets of CFD results. A variety of grid systems (both structured and unstructured) were used. Trends due to grid density and Reynolds number were analyzed, and effects of support brackets were also included. This paper analyzes the combined results from all workshop participants. Comparisons with experimental data are made. A statistical summary of the CFD results is also included.

Rumsey, Christopher L.↗

DOE OSTI2024

FY24 Progress Report on Viscosity and Thermal Conductivity Measurements of Nuclear Industry Relevant Chloride Salts: An Experimental and Computational Study

As presented in this report, experimental and computational techniques were performed to assess the viscosity and thermal conductivity of key alkali and actinide chloride mixtures for molten salt reactor developers. These mixtures were pure LiCl, NaCl-KCl, LiCl-NaCl, LiCl-KCl, LiCl-NaCl-KCl, and NaCl-UCl 3 . Experimental measurements of viscosity were performed with a rolling ball viscometer, whereas experimental measurements of thermal conductivity were performed with a variable gap apparatus. Additional benchmarking work was performed using both property measurement systems to prepare for x-ray radiography in stainless-steel crucibles for viscosity and to ensure that calibration methods were accurate for thermal conductivity before assessing the NaCl-UCl 3 system. Validation data for the NaCl-UCl 3 in literature are minimal. Details on the calibration methods, salt measurement processes, and sources of error and uncertainty are discussed in detail for both property measurements. The computational methods described herein involved ab-initio molecular dynamics (AIMD) calculations using CP2K. The calculations were performed for the LiCl-KCl-NaCl and NaCl-UCl 3 systems. These calculations not only provided thermophysical property estimations for comparison to experimental data, but they also allowed for the determination of diffusion coefficients, coordination numbers, and radial distribution functions to provide insight into ion mobility and local coordination environments, which is linked to macroscopic property trends.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1990

Navier-Stokes computations for aerodynamic configurations at high angles of attack

Navier-Stokes computations at high angles of attack over aerodynamic configurations are presented using an implicit finite-volume algorithm. The spatial differencing is upwind-biased for the convective and pressure terms and central for the shear stress and heat transfer terms. The equations are relaxed to steady state with a spatially factored implicit algorithm. In order to treat general geometries, a multiblock patched-grid framework is implemented. Applications and detailed comparisons with experimental data are made for two simple but representative geometric shapes: (1) a highly swept delta wing and (2) a prolate spheroid of 6:1 length-to-diameter. Recent extensions of the algorithm to compute the flow over an F-18 forebody-strake configuration are shown, including comparisons with wind tunnel and flight test results. Comparisons across the range of Reynolds number for all cases indicate that either low Reynolds number or high Reynolds number flows are simulated well, but that flows at intermediate Reynolds number cannot be simulated accurately without a detailed knowledge of the transitional zone between laminar and turbulent flow.

Thomas, J. L.↗

NASA NTRS1992

Direct simulation of high-speed mixing layers

A computational study of a nonreacting high-speed mixing layer is performed. A higher order algorithm with sufficient grid points is used to resolve all relevant scales. In all cases, a temporal free-stream disturbance is introduced. The resulting flow is time-sampled to generate a statistical cross section of the flow properties. The studies are conducted at two convective Mach numbers, three free-stream turbulence intensities, three Reynolds numbers, and two types of initial profiles-hyperbolic tangent (tanh) and boundary layer. The boundary-layer profile leads to more realistic predictions of the transition processes. The predicted transition Reynolds number of 0.18 x 10(exp 6) compares well with experimental data. Normalized vortex spacings for the boundary-layer case are about 3.5 and compare favorably with the 1.5 to 2.5 found in experimental measurements. The tanh profile produces spacings of about 10. The growth rate of the layer is shown to be moderately affected by the initial disturbance field, but comparison with experimental data shows moderate agreement. For the boundary-layer case, it is shown that noise at the Strouhal number of 0.007 is selectively amplified and shows little Reynolds number dependence.

Mukunda, H. S.↗

NASA NTRS2011

ARES I Aerodynamic Testing at the NASA Langley Unitary Plan Wind Tunnel

Small-scale force and moment and pressure models based on the outer mold lines of the Ares I design analysis cycle crew launch vehicle were tested in the NASA Langley Research Center Unitary Plan Wind Tunnel from May 2006 to September 2009. The test objectives were to establish supersonic ascent aerodynamic databases and to obtain force and moment, surface pressure, and longitudinal line-load distributions for comparison to computational predictions. Test data were obtained at low through high supersonic Mach numbers for ranges of the Reynolds number, angle of attack, and roll angle. This paper focuses on (1) the sensitivity of the supersonic aerodynamic characteristics to selected protuberances, outer mold line changes, and wind tunnel boundary layer transition techniques, (2) comparisons of experimental data to computational predictions, and (3) data reproducibility. The experimental data obtained in the Unitary Plan Wind Tunnel captured the effects of evolutionary changes to the Ares I crew launch vehicle, exhibited good agreement with predictions, and displayed satisfactory within-test and tunnel-to-tunnel data reproducibility.

Erickson, Gary E.↗

NASA NTRS1991

Detailed analysis and test correlation of a stiffened composite wing panel

Nonlinear finite element analysis techniques are evaluated by applying them to a realistic aircraft structural component. A wing panel from the V-22 tiltrotor aircraft is chosen because it is a typical modern aircraft structural component for which there is experimental data for comparison of results. From blueprints and drawings supplied by the Bell Helicopter Textron Corporation, a very detailed finite element model containing 2284 9-node Assumed Natural-Coordinate Strain (ANS) elements was generated. A novel solution strategy which accounts for geometric nonlinearity through the use of corotating element reference frames and nonlinear strain displacements relations is used to analyze this detailed model. Results from linear analyses using the same finite element model are presented in order to illustrate the advantages and costs of the nonlinear analysis as compared with the more traditional linear analysis. Strain predictions from both the linear and nonlinear stress analyses are shown to compare well with experimental data up through the Design Ultimate Load (DUL) of the panel. However, due to the extreme nonlinear response of the panel, the linear analysis was not accurate at loads above the DUL. The nonlinear analysis more accurately predicted the strain at high values of applied load, and even predicted complicated nonlinear response characteristics, such as load reversals, at the observed failure load of the test panel. In order to understand the failure mechanism of the panel, buckling and first ply failure analyses were performed. The buckling load was 17 percent above the observed failure load while first ply failure analyses indicated significant material damage at and below the observed failure load.

Davis, D. Dale, Jr.↗

NASA NTRS1984

Comparison of secondary flows predicted by a viscous code and an inviscid code with experimental data for a turning duct

A comparison of the secondary flows computed by the viscous Kreskovsky-Briley-McDonald code and the inviscid Denton code with benchmark experimental data for turning duct is presented. The viscous code is a fully parabolized space-marching Navier-Stokes solver while the inviscid code is a time-marching Euler solver. The experimental data were collected by Taylor, Whitelaw, and Yianneskis with a laser Doppler velocimeter system in a 90 deg turning duct of square cross-section. The agreement between the viscous and inviscid computations was generally very good for the streamwise primary velocity and the radial secondary velocity, except at the walls, where slip conditions were specified for the inviscid code. The agreement between both the computations and the experimental data was not as close, especially at the 60.0 deg and 77.5 deg angular positions within the duct. This disagreement was attributed to incomplete modelling of the vortex development near the suction surface.

Schwab, J. R.↗

NASA NTRS1983

Comparison of secondary flows predicted by a viscous code and an inviscid code with experimental data for a turning duct

A comparison of the secondary flows computed by the viscous Kreskovsky-Briley-McDonald code and the inviscid Denton code with benchmark experimental data for turning duct is presented. The viscous code is a fully parabolized space-marching Navier-Stokes solver while the inviscid code is a time-marching Euler solver. The experimental data were collected by Taylor, Whitelaw, and Yianneskis with a laser Doppler velocimeter system in a 90 deg turning duct of square cross-section. The agreement between the viscous and inviscid computations was generally very good for the streamwise primary velocity and the radial secondary velocity, except at the walls, where slip conditions were specified for the inviscid code. The agreement between both the computations and the experimental data was not as close, especially at the 60.0 deg and 77.5 deg angular positions within the duct. This disagreement was attributed to incomplete modeling of the vortex development near the suction surface.

Schwab, J. R.↗

NASA NTRS1985

Estimation of dynamic rotor loads for the rotor systems research aircraft: Methodology development and validation

The Rotor Systems Research Aircraft uses load cells to isolate the rotor/transmission systm from the fuselage. A mathematical model relating applied rotor loads and inertial loads of the rotor/transmission system to the load cell response is required to allow the load cells to be used to estimate rotor loads from flight data. Such a model is derived analytically by applying a force and moment balance to the isolated rotor/transmission system. The model is tested by comparing its estimated values of applied rotor loads with measured values obtained from a ground based shake test. Discrepancies in the comparison are used to isolate sources of unmodeled external loads. Once the structure of the mathematical model has been validated by comparison with experimental data, the parameters must be identified. Since the parameters may vary with flight condition it is desirable to identify the parameters directly from the flight data. A Maximum Likelihood identification algorithm is derived for this purpose and tested using a computer simulation of load cell data. The identification is found to converge within 10 samples. The rapid convergence facilitates tracking of time varying parameters of the load cell model in flight.

Duval, R. W.↗