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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

A time-dependent incompressible viscous BEM for moderate Reynolds numbers

The boundary element method is applied to transient viscous incompressible flow. The time-domain formulation allows a boundary-only solution for linear Stokes flow. For higher speed flows in which the nonlinear convective effects cannot be ignored, a volume integral must be retained. However, the introduction of reference velocities often limits the nonlinear region to the vicinity of obstacles or boundary surfaces. Additionally, the volume terms are rewritten to eliminate the need for the calculation of velocity gradients. A general purpose numerical implementation of this new formulation then produces a very attractive tool for engineering analysis. This implementation includes a Newton-Raphson algorithm, permitting accurate solutions up to the moderate Reynolds number range. Several numerical examples are provided to validate the present approach.

Dargush, G. F.↗
NASA NTRS1991

A parallel trajectory optimization tool for aerospace plane guidance

A parallel trajectory optimization algorithm is being developed. One possible mission is to provide real-time, on-line guidance for the National Aerospace Plane. The algorithm solves a discrete-time problem via the augmented Lagrangian nonlinear programming algorithm. The algorithm exploits the dynamic programming structure of the problem to achieve parallelism in calculating cost functions, gradients, constraints, Jacobians, Hessian approximations, search directions, and merit functions. Special additions to the augmented Lagrangian algorithm achieve robust convergence, achieve (almost) superlinear local convergence, and deal with constraint curvature efficiency. The algorithm can handle control and state inequality constraints such as angle-of-attack and dynamic pressure constraints. Portions of the algorithm have been tested. The nonlinear programming core algorithm performs well on a variety of static test problems and on an orbit transfer problem. The parallel search direction algorithm can reduce wall clock time by a factor of 10 for this part of the computation task.

Psiaki, Mark L.↗
NASA NTRS1992

Theoretical research program to study chemical reactions in AOTV bow shock tubes

Effort continued through this period to refine and expand the SIRIUS/ABACUS program package for CASSCF and RASSCF second derivatives. A new approach to computing the Gaussian integral derivatives that require much of the time in gradient and Hessian calculations was devised. Several different studies were undertaken in the area of application calculations. These include a study of proton transfer in the HF trimer, which provides an analog of rearrangement reactions, and the extension of our previous work on Be and Mg clusters to Ca clusters. In addition, a very accurate investigation of the lowest-lying potential curves of the O2 molecule was completed. These curves are essential for evaluating different models of the terrestrial atmosphere nightglow. The most effort this year was devoted to a large scale investigation of stationary points on the C4H4 surface, and the thermochemistry of acetylene/acetylene reaction.

Taylor, Peter↗
NASA NTRS1993

A carbon isotope mass balance for an anoxic marine sediment: Isotopic signatures of diagenesis

A carbon isotope mass balance was determined for the sediments of Cape Lookout Bight, NC to constrain the carbon budgets published previously. The diffusive, ebullitive and burial fluxes of sigma CO2 and CH4, as well as the carbon isotope signatures of these fluxes, were measured. The flux-weighted isotopic signature of the remineralized carbon (-18.9 plus or minus 2.7 per mil) agreed with the isotopic composition of the remineralized organic carbon determined from the particulate organic carbon (POC) delta(C-13) profiles (-19.2 plus or minus 0.2), verifying the flux and isotopic signature estimates. The measured delta(C-13) values of the sigma CO2 and CH4 diffusive fluxes were significantly different from those calculated from porewater gradients. The differences appear to be influenced by methane oxidation at the sediment-water interface, although other potential processes cannot be excluded. The isotope mass balance provides important information concerning the locations of potential diagenetic isotope effects. Specifically, the absence of downcore change in the delta(C-13) value of the POC fraction and the identical isotopic composition of the POC and the products of remineralization indicate that no isotopic fractionation is expressed during the initial breakdown of the POC, despite its isotopically heterogeneous composition.

Boehme, Susan E.↗
NASA NTRS1995

Diagnostic calculations of the circulation in the Martian atmosphere

The circulation of the Martian atmosphere during late southern summer is derived from atmospheric temperature and dust distributions retrieved from a subset of the Mariner 9 infrared interferometer spectrometer (IRIS) thermal emission spectra (LS = 343-348 deg) (Santee and Crisp, 1933). Zonal-mean zonal winds are calculated by assuming gradient wind balance and zero surface zonal wind. Both hemispheres have intense midlatitude westerly jets with velocities of 80-90 m/s near 50 km; in the southern tropics the winds are easterly with velocities of 40 m/s near 50 km. The net effect of the zonal-mean meridional circulation and large-scale waves can be approximated by the diabatic ciculation, which is defined from the atmospheric thermal structure and net radiative heating rates. The radiative transfer model described by Crisp (1990) and Santee (1993) is used to compute solar heating and thermal cooling rates from diurnal averages of the retrieved IRIS temperature and dust distributions. At pressures below 4 mbar, there are large net radiative heating rates (up to 5 K/d) in the equatorial region and large net radiative cooling rates (up to 12 K/d) in the polar regions. These net radiative heating rates are used in a diagnostic stream function model which solves for the meridonal and vertical components of the diabatic circulation simultaneously. We find a two cell circulation, with rising motion over the equator, poleward flow in both hemispheres, sinking motion over both polar regions, and return flow in the lowest atmospheric levels. The maximum poleward velocity is 3 m/s in the tropics at approximately 55 km altitude, and the maximum vertical velocity is 2.5 cm/s downward over the north pole at approximately 60 km altitude. If these large transport rates are sustained for an entire season, the Martian atmosphere above the 1-mbar level is overturned in about 38 days. This diabatic circulation is qualitatively similar to the terrestial diabatic circulation at the comparable season, but is more vigorous.

Santee, Michelle L.↗
NASA NTRS1996

Aerodynamic Optimization of the High Speed Civil Transport

The aerodynamic optimization program used for wing and fuselage optimization of the High Speed Civil Transport was modified for utilization of multiple processors on parallel processor computers. The modified version uses multiple processors to simultaneously conduct three-dimensional flow solutions of different wing and fuselage geometries for calculations of the gradient functions and for directional searches to minimize an objective function. Demonstrations have shown the parallel program to be useful for coarse grid optimization, however memory problems for processors on the IBM SP2 were encountered when finer grid sizes were used.

Brawley, Stephen C.↗
NASA NTRS1995

Diagnostic calculations of the circulation in the Martian atmosphere

The circulation of the Martian atmosphere during late southern summer is derived from atmospheric temperature and dust distributions retrieved from a subset of the Mariner 9 infrared interferometer spectrometer (IRIS) thermal emission spectra (L(sub s) = 343-348 deg). Zonal-mean zonal winds are calculated by assuming gradient wind balance and zero surface zonal wind. Both hemispheres have intense midlatitude westerly jets with velocities of 80-90 m/s near 50 km; in the southern tropics the winds are easterly with velocities of 40 m/s near 50 km. The net effect of the zonal mean meridional circulation and large-scale waves can be approximated by the diabatic circulation, which is defined from the atmospheric thermal structure and net radiative heating rates. The radiative transfer model described by Crisp (1990) and Santee (1993) is used to compute solar heating and thermal cooling rates from diurnal averages of the retrieved IRIS temperature and dust distributions. At pressures below 4 mbar, there are large net radiative heating rates (up to 5 K/d) in the equatorial region and large net radiative cooling rates (up to 12 K/d) in the polar regions. These net radiative heating rates are used in a diagnostic stream function model which solves for the meridional and vertical components of the diabatic circulation simultaneously. We find a two-cell circulation, with rising motion over the equator, poleward flow in both hemispheres, sinking motion over both polar regions, and return flow in the lowest atmospheric levels. The maximum poleward velocity is 3 m/s in the tropics at approx. 55 km altitude, and the maximum vertical velocity is 2.5 cm/s downward over the north pole at approx. 60 km altitude. If these large transport rates are sustained for an entire season, the Martian atmosphere above the 1-mbar level is overturned in about 38 days. This diabatic circulation is qualitatively similar to the terrestrial diabatic circulation at the comparable season, but is more vigorous.

Santee, Michelle L.↗
NASA NTRS2001

A New Analytical Approach to Predict Spacing Selection in Lamellar and Rod Eutectic Systems

In this paper, we reexamine the Jackson and Hunt (JH) theory and relax the assumption of isothermal solid/liquid interface(SLI) used in their treatment. A modification of the term B. in the expression of the solute concentration profile is also proposed. Based on the predictions of this modified theory the traditional definitions of regular and irregular eutectics are discussed. For regular eutectics the new model identifies a range of spacing within the limits defined by the minimum undercooling of the alpha and beta phase. For the irregular Al-Si eutectic system in particular we identified two different spacing selection mechanisnis: a) for a particular growth rate, a nearly isothermal interface can be achieved at a unique minimum spacing lambda(sub I); b) the average spacing in the microstructure (lambda(sub av) > lambda(sub I)) is essentially dictated by the undercooling of the faceted phase. Based on the modified theoretical model a semi-empirical expression has been developed to account for the influence of the temperature gradient. The theoretical calculations have been found to be in good agreement with the published experimental measurements.

Catalina, Adrian V.↗
NASA NTRS2004

Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

Hydrocarbons such as acetylene (C2H2) and ethane (C2H6) are important tracers in Jupiter's atmosphere, constraining our models of the chemical and dynamical processes. However, our knowledge of the vertical and meridional variations of their abundances has remained sparse. During the flyby of the Cassini spacecraft in December 2000, the Composite Infrared Spectrometer (CIRS) instrument was used to map the spatial variation of emissions from 10-1400 cm(sup -1) (1000-7 microns). In this paper we analyze a zonally-averaged set of CIRS spectra taken at the highest (0.5 cm(sup -1)) resolution, to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 band of CH4, and in the troposphere at 150-400 mbar, via the H2 absorption at 600-800 cm(sup -1). Simultaneously, we retrieve the abundances of C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIRS resolution, introducing a non-uniqueness into the retrievals, such that vertical gradient and column abundance cannot both be found without additional constraints. Assuming profile gradients from photochemical calculations, we show that the column abundance of C2H2 decreases sharply towards the poles by a factor approximately 4, while C2H6 is unchanged in the north and increasing in the south, by a factor approximately 1.8. An explanation for the meridional trends is proposed in terms of a combination of photochemistry and dynamics. Poleward, the decreasing UV flux is predicted to decrease the abundances of C2H2 and C2H6 by factors 2.7 and 3.5 respectively at a latitude 70 deg. However, the lifetime of C2H6 in the stratosphere (5 x 10(exp 9)) is much longer than the dynamical timescale for meridional motions inferred from SL-9 debris (5 x 10(exp 8 s)), and therefore the constant or rising abundance towards high latitudes likely indicates that meridional mixing dominates over photochemical effects. For C2H2, the opposite occurs, with the relatively short photochemical lifetime (3 x 10(exp 7 s)), compared to meridional mixing times, ensuring that the expected photochemical trends are visible.

Nixon, C. A.↗
NASA NTRS2015

Full-Carpet Design of a Low-Boom Demonstrator Concept

The Cart3D adjoint-based design framework is used to mitigate the undesirable o -track sonic boom properties of a demonstrator concept designed for low-boom directly under the flight path. First, the requirements of a Cart3D design mesh are determined using a high-fidelity mesh adapted to minimize the discretization error of the CFD analysis. Low-boom equivalent area targets are then generated at the under-track and one off-track azimuthal position for the baseline configuration. The under-track target is generated using a trim- feasible low-boom target generation process, ensuring that the final design is not only low-boom, but also trimmed at the specified flight condition. The o -track equivalent area target is generated by minimizing the A-weighted loudness using an efficient adjoint-based approach. The configuration outer mold line is then parameterized and optimized to match the off-body pressure distributions prescribed by the low-boom targets. The numerical optimizer uses design gradients which are calculated using the Cart3D adjoint- based design capability. Optimization constraints are placed on the geometry to satisfy structural feasibility. The low-boom properties of the final design are verified using the adaptive meshing approach. This analysis quantifies the error associated with the CFD mesh that is used for design. Finally, an alternate mesh construction and target positioning approach offering greater computational efficiency is demonstrated and verified.

Ordaz, Irian↗
DOE OSTI2025

Scale Setting with the Omega Baryon

This work will discuss a recent calculation of the gradient flow scale $w_0$ in lattice QCD using the omega baryon mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRSDate not supplied

Evaluation of a Laser-Dot Grid-Projection System for Lunar Lander Crater-Shape and Ejecta-Sheet Measurements

Development, testing, and evaluation of an active-illumination laser-dot grid-projection system was performed to evaluate its potential inclusion on an upcoming uncrewed lunar lander mission to the south pole region of the moon. Active illumination may be required for this mission due to the shallow angle of the sun at the landing location, which may cast shadows in the landing region, hindering the stereo camera imaging system’s ability to determine the pre-and post-landing lunar surface/crater shape. Testing includes characterization of the diffractive optical elements used for the grid projection, single-camera tests to determine the imaged laser dot intensity as a function of camera exposure and imaging angle relative to the laser grid projection, laser dot brightness/saturation impact on depth map calculations, angle of imaged laser grid impact on depth map calculations for steep crater edges, impact of density gradients on the depth map calculations, and the feasibility of making measurements of the ejecta sheet.

Joshua M. Weisberger↗
NASA NTRS1956

The Compressible Laminar Boundary Layer with Heat Transfer and Arbitrary Pressure Gradient

An approximate method for the calculation of the compressible laminar boundary layer with heat transfer and arbitrary pressure gradient, based on Thwaites' correlation concept, is presented. With the definition of dimensionless shear and heat-transfer parameters and an assumed correlation of these parameters in terms of a momentum parameter, a complete system of relations for calculating skin friction and heat transfer results. Knowledge of velocity or temperature profiles is not necessary in using this calculation method. When the method is applied to a convergent-divergent, axially symmetric rocket nozzle, it shows that high rates of heat transfer are obtained at the initial stagnation point and at the throat of the nozzle. Also indicated are negative displacement thicknesses in the convergent portion of the nozzle; these occur because of the high density within the lower portions of the cooled boundary layer. (author)

Cohen, Clarence B↗
NASA NTRS1977

Impurity gradients and high efficiency solar cells

One potential means of improving the efficiency of solar cells especially after space irradiation is to incorporate built-in fields into the device through the use of impurity doping gradients. A detailed numerical calculation of solar cell performance has been used to study various types of doping gradients. In general, the predicted improvements in performance have been less than previously reported due to various device effects such as, high injection and the dependence of lifetime on doping density.

Fang, C. R.↗
DOE OSTI2020

First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method

We recently proposed the Gutzwiller conjugate gradient minimisation (GCGM) method for efficient and accurate calculation of the ground state total energy of molecular and bulk systems. The GCGM method is developed under the framework of Gutzwiller wave function but goes beyond the commonly adopted Gutzwiller approximation to improve the accuracy and flexibility in treating the correlation effects. In this conference proceeding, we benchmark the GCGM method with the calculation of excited state potential energy curves of three diatomic molecules, namely H 2 , N 2 , and O 2 . Our calculations demonstrate the flexibility and reasonable accuracy of the method.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Electronic structure of U 2 PtC 2 and U 2 RhC 2

In this study, we present density functional theory calculations within the generalized gradient approximation of U 2 RhC 2 and U 2 PtC 2 . We find the calculated density of states are significantly less than that measured by specific heat indicating the need for electronic correlations. The mass enhancement found for U 2 PtC 2 is m*/m band ≈ 4.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Abstract Computational materials discovery efforts are enabled by large databases of properties derived from high-throughput density functional theory (DFT), which now contain millions of calculations at the generalized gradient approximation (GGA) level of theory. It is now feasible to carry out high-throughput calculations using more accurate methods, such as meta-GGA DFT; however recomputing an entire database with a higher-fidelity method would not effectively leverage the enormous investment of computational resources embodied in existing (GGA) calculations. Instead, we propose here a general procedure by which higher-fidelity, low-coverage calculations (e.g., meta-GGA calculations for selected chemical systems) can be combined with lower-fidelity, high-coverage calculations (e.g., an existing database of GGA calculations) in a robust and scalable manner. We then use legacy PBE(+ U ) GGA calculations and new r 2 SCAN meta-GGA calculations from the Materials Project database to demonstrate that our scheme improves solid and aqueous phase stability predictions, and discuss practical considerations for its implementation.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Neutral winds and electric fields from model studies using reduced ionograms

A relationship between the vertical component of the ion velocity and electron density profiles derived from reduced ionograms is developed. Methods for determining the horizontal components of the neutral winds and electric fields by using this relationship and making use of the variations of the inclinations and declinations of the earth's magnetic field are presented. The effects that electric fields have on the neutral wind calculations are estimated to be small but not second order. Seasonal and latitudinal variations of the calculated neutral winds are presented. From the calculated neutral winds a new set of neutral pressure gradients is determined. The new pressure gradients are compared with those generated from several static neutral atmospheric models. Sensitivity factors relating the pressure gradients and neutral winds are calculated and these indicate that mode coupling and harmonic generation are important to studies which assume linearized theories.

Baran, D. E.↗