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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 NTRS1985

High Resolution Spectrometry of Leaf and Canopy Chemistry for Biochemical Cycling

High-resolution laboratory spectrophotometer and Airborne Imaging Spectrometer (AIS) data were used to analyze forest leaf and canopy chemistry. Fundamental stretching frequencies of organic bonds in the visible, near infrared and short-wave infrared are indicative of concentrations and total content of nitrogen, phosphorous, starch and sugar. Laboratory spectrophotometer measurements showed very strong negative correlations with nitrogen (measured using wet chemistry) in the visible wavelengths. Strong correlations with green wet canopy weight in the atmospheric water absorption windows were observed in the AIS data. A fairly strong negative correlation between the AIS data at 1500 nm and total nitrogen and nitrogen concentration was evident. This relationship corresponds very closely to protein absorption features near 1500 nm.

Spanner, M. A.↗

NASA NTRS2010

Gravitational Waves and Multi-Messenger Astronomy

Gravitational waves are produced by a wide variety of sources throughout the cosmos, including the mergers of black hole and neutron star binaries/compact objects spiraling into central black holes in galactic nuclei, close compact binaries/and phase transitions and quantum fluctuations in the early universe. Observing these signals can bring new, and often very precise, information about their sources across vast stretches of cosmic time. In this talk we will focus on thee opening of this gravitational-wave window on the universe, highlighting new opportunities for discovery and multi-messenger astronomy.

Centrella, Joan M.↗

NASA NTRS1986

The physics of thermal plasma in the magnetosphere; Proceedings of Symposium 9 of the 26th COSPAR Plenary Meeting, Toulouse, France, June 30-July 11, 1986

The conference presents papers on the shape, dynamics, and thermal structure of the plasmasphere and plasmapause; the ionosphere as a supplier of plasma to the earth's magnetosphere; the modeling and remote sensing of thermal plasma in the earth's magnetosphere; and magnetospheric cold plasmas as a medium for wave generation and propagation. Particular attention is given to whistler studies of plasmasphere shape and dynamics, plasmasphere thermal structure as measured by ISEE-1 and DE-1, low-energy ion flows into the magnetosphere, field-aligned flows of ionospheric plasma in the magnetosphere, and field-aligned plasmaspheric flows at moderate latitudes. Papers are also presented on the effects of a tailward stretching geomagnetic field on the drift motion of plasma particles in the magnetospheric equatorial plane, ion cyclotron waves observed near the plasmapause, and the response of energetic particles to nightside magnetic pulsations as seen by AMPTE/CCE.

Chappell, C. R.↗

NASA NTRS1990

Observations on the DE 1 spacecraft of ELF/VLF waves generated by an ionospheric heater

DE 1 satellite radio observations were conducted in the 1525-5925 Hz range during a pass over an ionospheric heating facility; the waves were detected during a 2-min period, and the measurements indicated pulse-stretching by a few hundred msec, in conjunction with spectral broadening of about 10 Hz. The observed signal delays and pulse distortion are not consistent with expectations assuming propagation in a smooth magnetosphere between the assumed 'polar electrojet antenna' in the ionospheric D/E region and the 11,000-km altitude of the satellite. Scattering by density irregularities is judged the likely sources of the spectral broadening and delays.

James, H. G.↗

NASA NTRS1986

Benchmark Full Configuration-Interaction Calculations on HF and NH2

Full configuration-interaction (FCI) calculations are performed at selected geometries for the (sup 1)Sigma(+) state of HCF and the (sup 2)B(sub 1) and (sup 3)A(sub 1) states NH2 using both DZ and DZP Gaussian basis sets. Higher excitations become more important when the bonds are stretched and the SCF reference becomes a poorer zeroth-order description of the wave function. The CASSCF-MRCI procedure gives excellent agreement with the FCI potentials, especially when corrected with a multireference analog of the Davidson correction.

Bauschlicher, Charles W., Jr.↗

DOE OSTI2024

Smart Adaptive Structures for an Ocean Wave Energy Converter

Ocean wave energy converters face significant challenges including cost-effectiveness, minimizing maintenance requirements, and withstanding extreme conditions. However, by utilizing smart materials, these converters could overcome these challenges. Such energy harvesters could use dielectric elastomer generators to convert ocean wave energy into electricity through their dynamic straining. Conversely, by applying electricity to these generators, they become actuators - dielectric elastomer actuators - thereby enabling them to alter their stiffness and adapt to the ever-changing ocean energy environments. Such active adaptation could enhance the converter's ability to: reach resonance with ocean waves and protect itself from dangerous waves. This study utilizes numerical analyses through the COMSOL software framework to evaluate the potential energy that could be harvested by a conceptual ocean wave energy converter based upon dielectric elastomer generators/actuators. The converter is composed of an external hull (that is a hollow cylinder), an inertial mass (that is a hollow cylinder and concentric with the hull), and 'spokes' - made of dielectric elastomer generators/actuators - that connect the hull to the inertial mass. Results of the numerical analyses include those outcomes arising from the conceptual converter being simulated via a sinusoidal motion analogous to ocean waves. That motion, therefore, causes relative motion between the converter's hull and inertial mass thereby dynamically stretching the corresponding connecting elastomers. The stretching of the elastomers enables them to 'gain elastic strain energy' and is, therefore, considered to be the theoretical limit of possible electrical energy conversion for the dielectric elastomer generator/actuator spokes. Additionally, the elastomer material properties of the spokes were altered to simulate the actuation of those same elastomers; with overall strain energy being subsequently investigated. Ultimately this is a preliminary study exploring the ability of such smart materials - electricity-generating and self-actuating elastomers - to actively adapt an ocean wave energy converter's structure to address and overcome the aforementioned challenges.

active materials↗

NASA NTRS1994

The Fraternal Twins of Quartet O4(+)

Eleven stationary geometries of quartet O4(+) have been studied by ab initio methods. The geometries were optimized at the Complete Active Space Self-Consistent Field (CASSCF) level of theory and the energies were calculated by the multiconfigurational second order pertubation method (CASPT2), using Double-Zeta Plus polarization (DZP), Triple-Zeta Plus Double Polarization (TZ2P), average Atomic Natural Orbital (ANO) (5s4p2d) and average ANO (6s5p3d2f) basis sets. The rectangular and trans-planar structures are found to be the most stable, with an energy barrier to conversion between the two at the threshold of dissociation. Both have a delocalized hole and are stable relative to separated 02 and 02(+)by 11.0 and 11.5 kcal/mol for the rectangular and the 2 trans-planar structure, respectively, compared with the experimentally deduced energy in the range of 9.2 to 10.8 kcal/mol. The adiabatic ionization potentials of 04 and 02 are computed to be 11.67 and 12.21 eV, while experimental values are 11.66 and 12.07 eV, respectively. The vibrational frequencies have been computed for all degrees of freedom at the CASSCF level of theory. Symmetry breaking is found to be a particular problem in the computation of the antisymmetric stretch frequency for the delocalized structures at the CASSCF level of theory. Attempts to rectify these problems using the restricted active space self-consistent field (RASSCF) method leads to additional difficulties, but further analysis yields insight into the symmetry breaking and problems with earlier calculations. Finally, a nonorthogonal configuration interaction (CI) calculation based on the interaction of localized CASSCF wave functions using the Complete Active Space State Interation (CASSI) method leads to a balanced treatment of the antisymmetric stretch which is free from symmetry breaking. The study explains the four most prominent absorption frequencies observed in the partially unassigned IR spectrum of O4(+) isolated in solid neon as the antisymmetric OO stretch, and the combination band of the symmetric and antisymmetric 00 stretch of both the rectangular and trans-planar structures.

Lindh, Roland↗

NASA NTRS1992

On steady field-aligned double-adiabatic flow

The paper summarizes the four general double-adiabatic invariants governing ideal MHD flow in a narrow tube and renders them in a form suitable for the calculation of flow in tubes of nonconstant cross-sectional area. Results for converging-diverging flux tubes are developed and compared to single-adiabatic results which are identical to those for ordinary gasdynamic flow. It is found that in certain parameter regimes the governing equation for the vector potential is elliptic and can be reduced to Laplace's equation by simple stretching of one coordinate. In other regimes the equation is hyperbolic, indicating the presence of wave patterns. The relevance of these results to flow over magnetopause undulations, including flux transfer events, is discussed.

Sonnerup, B. U. O.↗

NASA NTRS1979

Sunspots and the physics of magnetic flux tubes. I - The general nature of the sunspot. II - Aerodynamic drag

Analysis of the dynamical stability of a large flux tube suggests that the field of a sunspot must divide into many separate tubes within the first 1000 km below the surface. Buoyancy of the Wilson depression at the visible surface and probably also a downdraft beneath the sunspot hold the separate tubes in a loose cluster. Convective generation of Alfven waves, which are emitted preferentially downward, cools the tubes. Aerodynamic drag on a slender flux tube stretched vertically across a convective cell is also studied. Since the drag is approximately proportional to the local kinetic energy density, the density stratification weights the drag in favor of the upper layers. Horizontal motions concentrated in the bottom of the convective cell may reverse this density effect. A downdraft of about two km/sec through the flux tubes beneath the sunspot is hypothesized.

Parker, E. N.↗

NASA NTRS1985

Finite-amplitude steady waves in plane viscous shear flows

Computations of two-dimensional solutions of the Navier-Stokes equations are carried out for finite-amplitude waves on steady unidirectional flow. Several cases are considered. The numerical method employs pseudospectral techniques in the streamwise direction and finite differences on a stretched grid in the transverse direction, with matching to asymptotic solutions when unbounded. Earlier results for Poiseuille flow in a channel are re-obtained, except that attention is drawn to the dependence of the minimum Reynolds number on the physical constraint of constant flux or constant pressure gradient. Attempts to calculate waves in Couette flow by continuation in the velocity of a channel wall fail. The asymptotic suction boundary layer is shown to possess finite-amplitude waves at Reynolds numbers orders of magnitude less than the critical Reynolds number for linear instability. Waves in the Blasius boundary layer and unsteady Rayleigh profile are calculated by employing the artifice of adding a body force to cancel the spatial or temporal growth. The results are verified by comparison with perturbation analysis in the vicinity of the linear-instability critical Reynolds numbers.

Milinazzo, F. A.↗

NASA NTRS1980

Low-pass interference filters for submillimeter astronomy

Low-pass (long-wave transmitting) interference filters, suitable for broadband photometric observations, previously have been constructed from series of capacitive grids stretched on thin Mylar. These filters have the desired optical properties of high transmission, sharp cut-ons, and good blocking at short wavelengths. Their designs, however, do not scale from one wavelength to another and their performance can deteriorate at low temperatures due to differential contraction of the dielectric backing and the supporting structure. The deviation of these early filters from the predicted scaling was due primarily to the difference in refractive index between the backing material and the medium between the grids. In the present paper, filters are described in which dielectric spacers are used, instead of air, as the medium between the grids. This technique has improved the scaling and has reduced the distortion from differential contraction.

Whitcomb, S. E.↗

NASA NTRS1980

Disturbances observed near Ganymede by Voyager 2

In the present paper, it is suggested that the observation of cavities near Ganymede can be explained by a model which postulates that Ganymede continuously creates a cavity that is stretched out into a sheet along X by rotation and is spatially distorted by a spectrum of Alfven waves with perturbations along Y and with wavelengths comparable to the size of the field lines passing through Ganymede. Possible causes of the cavities are examined.

Burlaga, L. F.↗

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 NTRS1986

Benchmark full configuration-interaction calculations on HF and NH2

Bauschlicher, C. W., Jr.↗

NASA NTRS1986

Benchmark full configuration-interaction calculations on H2O, F- and F

Full configuration-interaction calculations are reported, and compared to other methods, for H2O at its equilibrium geometry and at two geometries with the H-O bonds stretched. Since the percentage of the self-consistent field (SCF) reference in the full configuration-interaction (FCI) wave function decreases greatly with the bond elongation, the accuracy of techniques based on a single reference do not compare well with the FCI results. However, the results from a complete active space SCF/multireference configuration-interaction (CASSCF/MRCI) treatment are in good agreement with the FCI. Correlation effects in F compared to Ne are far more similar than for F- compared to Ne, despite F- and Ne being isoelectronic. Since the importance of higher than double excitations is more important for F- than F, a very high percentage of the correlation must be obtained to accurately compute the electron affinity. In a CASSCF/MRCI treatment the higher than quadruple excitations contribute 0.02 eV to the electron affinity (EA), even for modest basis sets.

Bauschlicher, C. W., Jr.↗

NASA NTRS1986

Benchmark full configuration-interaction calculations on H2O, F, and

Full configuration-interaction calculations are reported, and compared to other methods, for H2O at its equilibrium geometry and at two geometries with the H-O bonds stretched. Since the percentage of the self-consistent field (SCF) reference in the full configuration-interaction (FCI) wave function decreases greatly with the bond elongation, the accuracy of techniques based on a single reference do not compare well with the FCI results. However, the results from a complete active space SCF/multireference configuration-interaction (CASSCF/MRCI) treatment are in good agreement with the FCI. Correlation effects in F compared to Ne are far more similar than for Fcompared to Ne, despite F- and Ne being isoelectronic. Since the importance of higher than double excitations is more important for F- than F, a very high percentage of the correlation must be obtained to accurately compute the electron affinity. In a CASSCF/MRCI treatment the higher than quadruple excitations contribute 0.02 eV to the electron affinity (EA), even for modest basis sets.

Bauschlicher, C. W., Jr.↗

DOE OSTI2025

Microstructure and CPO evolution of dynamically recrystallized olivine during complex deformation conditions: a full-field numerical modeling approach

The rheological properties of mantle rocks are strongly dependent on their crystallographic preferred orientation (CPO). Olivine CPO, defined by the orientation of seismically fast [100] axes parallel to flow direction, is also thought to be a dominant contributor to seismic anisotropy in the Earth's upper mantle. However, the amount of deformation needed to overprint a new CPO on a pre-existing fabric and the impact of the inherited CPOs on the transient microstructure evolution, remain unknown. This study employs a full-field numerical approach (VPFFT-ELLE) to explore the dynamic recrystallization and microstructural evolution of olivine polycrystalline aggregates under complex deformation conditions. We test four combinations of successive pure shear and simple shear boundary conditions. Findings indicate that inherited CPOs influence subsequent deformation in a manner dependent on the kinematic relationship between successive stages. In all cases, a minor strain increment (ε ∼0.3–0.6) is sufficient to erase the previous microstructure and CPO. However, when deformation conditions change dramatically (e.g., stretching direction changes orthogonally), the intensity of the new CPO developed is significantly lower and strain distribution are specially altered. During a transient strain stage, pre-existing microstructures undergo extensive reworking, especially when deformation conditions are changed dramatically, such as switching from simple shear to a pure shear condition with a parallel shortening direction relative to the stretching direction. We estimate the significance of these results in interpreting observations of seismic velocity anisotropy, concluding that P-wave seismic anisotropy is significantly and positively correlated with the evolution of olivine CPO with deformation history. This research underscores the transient nature of microstructural rearrangement in olivine aggregates and the necessity for caution in interpreting seismic anisotropy in regions with complex deformation histories, as inherited CPOs can influence current fabric development and induce deviation to the present deformation conditions.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Personal computer study of finite-difference methods for the transonic small disturbance equation

Calculation of unsteady flow phenomena requires careful attention to the numerical treatment of the governing partial differential equations. The personal computer provides a convenient and useful tool for the development of meshes, algorithms, and boundary conditions needed to provide time accurate solution of these equations. The one-dimensional equation considered provides a suitable model for the study of wave propagation in the equations of transonic small disturbance potential flow. Numerical results for effects of mesh size, extent, and stretching, time step size, and choice of far-field boundary conditions are presented. Analysis of the discretized model problem supports these numerical results. Guidelines for suitable mesh and time step choices are given.

Bland, Samuel R.↗