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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Benchmark full configuration-interaction calculations on HF and NH2

Full configuration-interaction (FCI) calculations are performed at selected geometries for the 1-sigma(+) state of HF and the 2-B(1) and 2-A(1) states of NH2 using both DZ and DZP gaussian basis sets. Higher excitations become more important when the bonds are stretched and the self-consistent field (SCF) reference becomes a poorer zeroth-order description of the wave function. The complete active space SCF - multireference configuration-interaction (CASSCF-MRCI) procedure gives excellent agreement with the FCI potentials, especially when corrected with a multi-reference analog of the Davidson correction.

Bauschlicher, C. W., Jr.↗
NASA NTRS1987

Solidification Effects in MAR-M246(Hf) Alloy

Fatigue properties degraded with crystallographic orientations greater than 10 degrees from {001} axis. Influence of solidification and heat-treatment parameters on structure and fatigue properties of nickel-based superalloy MAR-M246(Hf) described in 24-page report. Superalloys have high strength and corrosion resistance at temperatures up to 1,400 degrees C; their uses range from petrochemical equipment to marine, industrial, aircraft, and vehicular gas turbines.

Johnston, M. H.↗
NASA NTRS1986

Pb, Sr, Nd, and Hf isotopic constraints on the origin of Hawaiian basalts and evidence for a unique mantle source

The isotopic Pb, Sr, Nd, and Hf compositions of rocks from nine Hawaiian volcanos are determined using the analytical procedures described by Tatsumoto and Unruh (1976) and Patchett and Tatsumoto (1980). The results are presented in graphs, tables, and maps and characterized in detail. The mantle plume, the oceanic lithosphere, and the depleted mantle are identified as distinct sources of the Hawaiian basalts, with different mechanisms responsible for the formation of shield-building tholeiites, late-stage alkalic rocks, and posterosional basalts. The uniqueness of the Hawaiian basalts and the possibility that the Koolau end member represents an undepleted 'primitive' mantle reservoir are considered.

Stille, P.↗
NASA NTRS1987

Full CI studies of the collinear transition state for the reaction F + H2 yields HF + H

Full CI calculations on the collinear transition state for the reaction F + H2 yields HF + H are reported. The full CI results are compared with those obtained from single-reference and multireference CI calculations and from single-reference CPF calculations. In general, only those methods which attempt to account for the effects of higher excitations, such as CPF or CI plus the Davidson correction, yield a transition-state location and barrier height in good agreement with the full CI. In an extended basis, the effect of higher excitations is estimated to lower the barrier by as much as 1.5 kcal/mol; such an effect would essentially eliminate the present discrepancy between theory and experiment.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1986

Thermal-mechanical fatigue crack growth in B-1900+Hf

Thermal-mechanical fatigue crack growth (TMFCG) rates in B-1900+Hf were measured under strain-controlled conditions in the temperature range 400-925 C. A poor correlation between isothermal and TMFCG rates under elastic and fully plastic conditions was observed when test data were analyzed using a strain-based approach. A stress-based approach taking into account the hardening and softening behavior of the material and load shedding provided an adequate description of the isothermal and TMFCG rates. Also, the isothermal crack growth rates at minimum and maximum temperatures provided upper and lower bounds, respectively, on the TMFCG rates.

Marchand, N.↗
NASA NTRS1987

Thermal stability of the nickel-base superalloy B-1900 + Hf with tantalum variations

The microstructure of the solutionized and aged nickel-base superalloy B-1900 + Hf was examined after additional aging at 982 C for 72, 250, and 1000 hours. Alloy compositions that were examined contained the normal 1.34 at. pct (4.3 wt pct) Ta as well as 0.67 at. pct and zero Ta levels. The gamma-prime phase agglomerated, became platelike in morphology, and decreased in volume fraction for all three alloys throughout the aging treatments. Changes which occurred in the gamma and gamma-prime phase compositions were nearly complete after 72 hours of aging while changes in the MC carbide composition continued throughout the aging. Blocky M6C carbides precipitated along the grain boundaries of all three alloys in the first 72 hours of aging. In addition, an acicular form of this Mo/Cr/Ni-rich carbide developed in the intragranular regions of the Ta-containing alloys.

Harmon, B. S.↗
NASA NTRS1988

Solidification-Rate Effects In MAR-M-246+Hf Alloy

Under slower solidification, primary-dendrite-arm spacing increases. Report discusses experiments on influence of solidification rates on crystallographic orientation and mechanical properties of superalloy MAR-M-246+Hf. Specimens grown in directional-solidification furnace, visually examined for microstructure, and stretched to failure in tensile-testing machine. Back-reflection Laue x-ray photographs taken to determine growth orientations.

Hamilton, David↗
NASA NTRS1987

Theoretical studies of the potential surface for the F - H2 greater than HF + H reaction

The F + H2 yields HF + H potential energy hypersurface was studied in the saddle point and entrance channel regions. Using a large (5s 5p 3d 2f 1g/4s 3p 2d) atomic natural orbital basis set, a classical barrier height of 1.86 kcal/mole was obtained at the CASSCF/multireference CI level (MRCI) after correcting for basis set superposition error and including a Davidson correction (+Q) for higher excitations. Based upon an analysis of the computed results, the true classical barrier is estimated to be about 1.4 kcal/mole. The location of the bottleneck on the lowest vibrationally adiabatic potential curve was also computed and the translational energy threshold determined from a one-dimensional tunneling calculation. Using the difference between the calculated and experimental threshold to adjust the classical barrier height on the computed surface yields a classical barrier in the range of 1.0 to 1.5 kcal/mole. Combining the results of the direct estimates of the classical barrier height with the empirical values obtained from the approximation calculations of the dynamical threshold, it is predicted that the true classical barrier height is 1.4 + or - 0.4 kcal/mole. Arguments are presented in favor of including the relatively large +Q correction obtained when nine electrons are correlated at the CASSCF/MRCI level.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1988

Nonlinear structural analysis of a turbine airfoil using the Walker viscoplastic material model for B1900 + Hf

A viscoplastic material model for the high temperature turbine airfoil material B1900 + Hf was developed and was demonstrated in a three dimensional finite element analysis of a typical turbine airfoil. The demonstration problem is a simulated flight cycle and includes the appropriate transient thermal and mechanical loads typically experienced by these components. The Walker viscoplastic material model was shown to be efficient, stable and easily used. The demonstration is summarized and the performance of the material model is evaluated.

Meyer, T. G.↗
NASA NTRS1988

Theoretical studies of the potential surface for the F + H2 - HF + H reaction

Several aspects of the F + H2 - HF + H potential energy hypersurface are considered. The classical barrier height is studied as a function of improvements to both the one-particle and n-particle treatments, approaching the one-particle basis set limit. The externally contracted CI (CCI) method is used to compute bending potentials in the collinear saddle point region. The calculated CCI surface is used to locate the bottleneck on the vibrationally adiabatic potential curve, and the reaction threshold is deduced from a one-dimensinal tunneling calculation. The true classical barrier height is estimated by adjusting the CCI barrier height for the difference in the calculated and experimental thresholds.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1988

U-Th-Pb, Sm-Nd, Rb-Sr, and Lu-Hf systematics of returned Mars samples

The advantage of studying returned planetary samples cannot be overstated. A wider range of analytical techniques with higher sensitivities and accuracies can be applied to returned samples. Measurement of U-Th-Pb, Sm-Nd, Rb-Sr, and Lu-Hf isotopic systematics for chronology and isotopic tracer studies of planetary specimens cannot be done in situ with desirable precision. Returned Mars samples will be examined using all the physical, chemical, and geologic methods necessary to gain information on the origin and evolution of Mars. A returned Martian sample would provide ample information regarding the accretionary and evolutionary history of the Martian planetary body and possibly other planets of our solar system.

Tatsumoto, M.↗
NASA NTRS1989

The effects of temperature gradient and growth rate on the morphology and fatigue properties of MAR-M246(Hf)

MAR-M246(Hf) is a nickel based superalloy used in the turbopump blades of the Space Shuttle main engines. The effects are considered of temperature gradient (G) and growth rate (R) on the microstructure and fatigue properties of this superalloy. The primary dendrite arm spacings were found to be inversely proportional to both temperature gradient and growth rate. Carbide and gamma - gamma prime morphology trends were related to G/R ratios. Weibull analysis of fatigue results shows the characteristic life to be larger by a factor of 10 for the low gradient/fast rate pairing of G and R, while the reliability (beta) was lower.

Schmidt, D. D.↗
NASA NTRS1988

Coherent HF radar backscatter from small-scale irregularities in the dusk sector of the subauroral ionosphere

This paper describes the characteristics of backscatter from decameter-scale ionospheric plasma density irregualarities, observed with an impressive regularity by the Goose Bay (Labrador) high-frequency (HF) radar in the dusk sector of the winter ionosphere, and discusses the relation of the scatter to the midlatitude trough. It is shown that this dusk scatter can be readily distinguished from other types of late afternoon/early evening scatter by the extreme equatorward position of its source region and by the low values of its associated radar Doppler velocities (not above 200 m/s) and spectral widths (not more than 200 m/s). A comparison of the radar observations with nearly simultaneous particle precipitation data obtained with the DMSP F6 satellite demonstrated that the source region of the backscatter lies within the subauroral ionosphere. It is shown that the characteristics of dusk scatter are compatible with the Spiro et al. (1978) model of the electrodynamics of the midlatitude trough.

Ruohoniemi, J. M.↗
NASA NTRS1989

Mapping high-latitude plasma convection with coherent HF radars

Several methods developed for mapping high-latitude plasma convection with a high-latitude HF radar are described, which utilize coherent backscatter from electron density irregularities at F-region altitudes to observe convective plasma motion. Several examples of two-dimensional convection-velocity maps are presented, showing instances of L-shell-aligned flow in the dusk sector, the reversal of convection near magnetic midnight, and counterstreaming in the dayside cleft.

Ruohoniemi, J. M.↗
NASA NTRS1989

Atmospheric density remote sensing of mesosphere and thermosphere to be used for spacecraft design by adopting VHF radar and HF Doppler sounder at low latitude west Pacific site during winter time

Simultaneous observations of VHF radar and HF Doppler array systems located at Chung Li (Taiwan) are used to observe three-dimensional wind speeds and gravity waves. The density perturbations are determined at different altitudes of the mesosphere and thermosphere during weak convective motions of the cold front in the winter. The present observations are believed to be valuable for space projects dealing with the low-latitude atmosphere.

Hung, R. J.↗
NASA NTRS1989

SC- and SI-associated ULF and HF-Doppler oscillations during the great magnetic storm of February 1986

Results are presented of an investigation of SC- and SI-associated ULF and HF-Doppler pulsations observed during the great geomagnetic storm of February 1986, which began with a sudden commmencement on February 6 at about 13:12 UT, developed slowly over the next two days, and, after a rapid intensification late on February 8, reached a minimum. It is shown that these ULF and geomagnetic pulsations can be explained by the dynamo-motor mechanism of ionospheric electric fields and by global compressional oscillations in the magnetosphere and ionosphere, respectively.

Yumoto, K.↗
NASA NTRS1990

High temperature inelastic deformation of the B1900 + Hf alloy under multiaxial loading - Theory and experiment

The multiaxial deformation behavior of the Ni-based alloy B1900 + Hf has been studied at elevated temperatures in the range of 649-982 C. Combined tension/torsion cyclic tests were performed on thin-wall tubular specimens under both in-phase and out-of-phase strain-controlled loading cycles. Both straining conditions resulted in stress loci of comparable magnitude, exhibiting no difference in cyclic hardening response. A phase angle was observed between the deviatoric stress and the incremental plastic strain vectors during 90-deg out-of-phase strain cycling, and nonproportional stress relaxation occurred under biaxial strain hold. The overall results have been used to assess the flow law, the hardening equations, and the applicability of the J2-based, elastic-viscoplastic model of Bodner-Partom (1979) for multiaxial loading conditions. The overall agreement between theory and experiment is good. Discrepancies are discussed in relation to micromechanical considerations.

Chan, K. S.↗
NASA NTRS1990

Implications for the evolution of continental crust from Hf isotope systematics of Archean detrital zircons

Results from the fractionation of zircon by sedimentary processes into continental margin sandstone yield information on the preservation of preexisting continental crust in the form of zircon, making it possible to distinguish between the contrasting theories of gradual growth versus constant volume of continental crust over geologic time. In this work, Hf-176/Hf-177 ratios were determined for detrital zircon fractions from 2.0-2.5, 2.6-3.0, and pre-3.0 Gyr old sandstones from the Canadian-Shield, the North-Atlantic, the Wyoming, and the Kaapvaal Cratons. Results pointed to small amounts of continental crust prior to 3.0 Gyr ago and a rapid addition of continental crust between 2.5 and 3.0 Gyr ago, consistent with the gradual growth of continental crust, and giving evidence against no-growth histories.

Stevenson, Ross K.↗