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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Origin of the difference of the coverage-dependent vibrational shift for S on Ni(100) and O on Ni(100)

The p(2 x 2) and c(2 x 2) coverages of S on Ni(100) are studied with a cluster model. Consistent with a recent lattice-dynamics study, the chemical contribution (rigid Ni lattice) to the coverage-dependent shift of the S vibrational energy is of opposite sign to that for O. Analysis of the cluster wave functions suggests that S becomes less negatively charged with coverage, while O becomes more ionic; however, this effect is small.

Bauschlicher, C. W., Jr.↗
NASA NTRS1982

Whistlers

Theoretical models of ionospheric whistler phenomena are reviewed and compared with experimental data. Whistlers were characterized as lightning discharges through a dispersive medium in 1919, with the first observed appearance of whistler noises detected in telephone communications. Magneto-ionic theory is used to characterize whistlers, with the Appleton-Hartree equations applied to the wave fields arising from lightning interactions with ionospheric plasma. Large values of the refractive index or slow propagation speeds give rise to the whistler mode, i.e., propagation of the wave through plasmas of any density. Propagation through the ionosphere is examined with the Snell's law, and account is taken of absorption and the necessity of obtaining full-wave solutions. Finally, theories are under development to explain the occurrence of ducting, i.e., guiding of the whistler wave by field-aligned plasma density irregularities.

Park, C. G.↗
NASA NTRS1989

Isothermal Equation Of State For Compressed Solids

Same equation with three adjustable parameters applies to different materials. Improved equation of state describes pressure on solid as function of relative volume at constant temperature. Even though types of interatomic interactions differ from one substance to another, form of equation determined primarily by overlap of electron wave functions during compression. Consequently, equation universal in sense it applies to variety of substances, including ionic, metallic, covalent, and rare-gas solids. Only three parameters needed to describe equation for given material.

Vinet, Pascal↗
DOE OSTI2025

Spin Waves in Dirac Semimetal Ca 0.6⁢ Sr 0.4⁢ MnSb 2 Investigated with Neutrons by the Diffraction Method

The tunability of Dirac semimetals with antiferromagnetic Mn layers is of great interest. The observed sign change of interlayer magnetic coupling between CaMnBi 2 and SrMnBi 2 suggests ionic substitution as a potential tuning mechanism. If so, novel behavior near the compensation point could be expected. Here, to explore this, we study a mixed-cation analog, Ca 0.6⁢ Sr 0.4⁢ MnSb 2 , where Bi is replaced by Sb. Conventional inelastic neutron scattering is impractical due to the small crystal size (m ≈ 0.28 g) available for compositional studies; however, we find that using a neutron diffractometer with a wide-angle area detector we can obtain a good quality spin-wave signal, which is shaped by energy-momentum conservation and retains spectroscopic information even without direct energy analysis. Spin-wave modeling reveals an interlayer coupling quantitatively similar to SrMnSb 2 , indicating it is not directly tuned by ionic size and that the sign change in Bi-based compounds likely arises from the observed change in lattice symmetry. Beyond this key insight, our results present an efficient method for parametric and compositional studies of spin dynamics in small crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Observations of enhanced ion line frequency spectrum during Arecibo ionospheric modification experiment

The Arecibo 430 MHz incoherent scatter radar (ISR) was used to monitor the effects of modifying the ionosphere by a high power HF transmitter feeding the 305 m reflector antenna. When in the ordinary magnetoionic mode parametric instabilities develop in the ionosphere near the reflection level. Manifestations of these instabilities are the strong enhancement of Langmuir oscillations in the direction of the ISR beam at a wavelength of 35 cm and the simultaneous much weaker enhancement of ion oscillations in that direction. The spectral analysis of the enhanced peak with a height resolution of 2.4 km shows that the ionic mode enhancement most often has a double humped frequency spectrum corresponding to up- and down-going ion acoustic waves. The shape of the frequency spectrum is interpreted in terms of a stable oscillation which is driven by a secondary electrostatic field caused by nonlinear interaction of Langmuir waves within a cone centered on the magnetic field and by the scattering of the pump field on stable Langmuir waves travelling along the direction of the ISR.

Hagfors, T.↗
NASA NTRS1972

D autoionization states of He and ionic H

Positions of the lowest 1,3De autoionization states of He and H(-) below the n = 2 level of the He(+) and H were calculated variationally, using Feshbach's Q-operator formalism. The trial wave function is of the Hylleraas-type with appropriate angular momentum factors. The widths and the shifts of the states have also been calculated. The shifts are found to be positive for all the states calculated here. The results with 112 terms for most states are lower than any previously calculated. The calculated lowest autoionization states of the He and H(-) (relative to the ground states of He and H respectively) are 59.902 eV and 10.1185 eV, in good agreement with the observed values of 59.9 eV and 10.13 + or 0.015 eV.

Bhatia, A. K.↗
NASA NTRS1984

Explanation of the Normal Winter Anomaly from the Seasonal Variation of Short Wave Absorption

The frequency dependence of the winter anomaly (WA) of radio wave absorption indicates the altitude range where the considered seasonal variation of absorption, L, takes place: 75-95 km. In this height region considerable seasonal variations of ionic composition and effective recombination coefficient, alpha sub e, exist, which can cause seasonal variations of electron concentration, N, and absorption, L. An attempt to render a qualitative estimation of the normal WA, i.e., the increased ratio of winter over summer absorption, L sub w/L sub s, at medium latitudes 40 deg and 50 deg, for solar zenith angles CHi = 60 deg and 75 deg is made. This is compared with existing experimental data.

Velinov, P. J.↗
NASA NTRS2002

Ionic signaling in plant responses to gravity and touch

Touch and gravity are two of the many stimuli that plants must integrate to generate an appropriate growth response. Due to the mechanical nature of both of these signals, shared signal transduction elements could well form the basis of the cross-talk between these two sensory systems. However, touch stimulation must elicit signaling events across the plasma membrane whereas gravity sensing is thought to represent transformation of an internal force, amyloplast sedimentation, to signal transduction events. In addition, factors such as turgor pressure and presence of the cell wall may also place unique constraints on these plant mechanosensory systems. Even so, the candidate signal transduction elements in both plant touch and gravity sensing, changes in Ca2+, pH and membrane potential, do mirror the known ionic basis of signaling in animal mechanosensory cells. Distinct spatial and temporal signatures of Ca2+ ions may encode information about the different mechanosignaling stimuli. Signals such as Ca2+ waves or action potentials may also rapidly transfer information perceived in one cell throughout a tissue or organ leading to the systemic reactions characteristic of plant touch and gravity responses. Longer-term growth responses are likely sustained via changes in gene expression and asymmetries in compounds such as inositol-1,4,5-triphosphate (IP3) and calmodulin. Thus, it seems likely that plant mechanoperception involves both spatial and temporal encoding of information at all levels, from the cell to the whole plant. Defining this patterning will be a critical step towards understanding how plants integrate information from multiple mechanical stimuli to an appropriate growth response.

Review↗
NASA NTRS2012

Extending Magnetohydrodynamics to the Slow Dynamics of Collisionless Plasmas

A fluid approach aimed to provide a consistent description of the slow dynamics of a collisionless plasma, is presented. In this regime, both Landau damping and finite Larmor radius effects cannot be ignored. Two models are discussed; one retains the dynamics at sub-ionic scales, while the other is restricted to scales larger than the ion gyroscale. Special attention is paid to the capability of these approaches to accurately reproduce the properties of linear waves that are known to play an important role, for example, in the small-scale dynamics of solar wind turbulence.

Passot, T.↗
DOE OSTI2024

An integrated approach to optimizing concentration shock wave electrodialysis using 2D multicell simulation and response surface models

Shock wave electrodialysis (SWED) is a highly promising technique for energy-efficient ion separation in the context of a circular economy. This paper presents a approach way of modeling and improving SWED using a two-dimensional multicell model combined with the COMSOL program and response surface methodology. The model integrates the Nernst-Planck equation, Darcy's law, and first-order electroosmosis to examine the local concentration, flux of ionic species, distribution of current, and velocity of flow in SWED cells under various operating conditions. We first illustrate the clear depiction of concentration, velocity, and electric potential distribution through contours which aids in identifying optimal operating conditions and designing scalable SWED systems. The results emphasize the significance of surface charge density and voltage in influencing the features of shock waves for obtaining effective ion separation while optimizing energy consumption and improving current efficiency by controlling the retention time of feed flow. Here, this study defines two crucial characteristics of shock waves, namely the length of the flat depletion zone of a fully developed shock wave (shock wave height) and the distance of shock wave propagation (shock wave length). These properties significantly impact separation performance, as determined by the simulation results. Additionally, the response surface methodology is incorporated with the COMSOL models to develop predictive models and graph responses, enabling a more comprehensive understanding of the interactions between parameters and performance indicators, such as removal ratio, energy consumption, and water recovery. Finally, this work suggests design tactics for expanding SWED processes and outlines potential areas for further research. This research provides valuable insights into the prospective applications, design optimization, and scalability of SWED in the field of electrokinetic separation technologies for green chemistry and a circular economy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Interactions of a tethered satellite system with the ionosphere

The Tethered Satellite System will be the first large structure deployed in space. It will react strongly with the magneto-ionic medium of the Earth's ionosphere and will thus be valuable experimental tool. Experiments planned for the structure are discussed. Emphasis is placed on the structures ability to excite a large variety of wave phenomena in the ionosphere using its electromotive force.

Grossi, M. D.↗
DOE OSTI2025

The overlapping fragment approach for non-orthogonal configuration interaction with fragments

The non-orthogonal configuration interaction with fragments (NOCI-F) approach is extended opening the possibility to study intramolecular processes and materials with covalent or ionic lattices. So far, NOCI-F has been applied to study intermolecular energy and electron transfer employing ensembles of fragments that do not have atoms or bonds in common. The here presented approach divides the target system into two overlapping fragments that share one or more atoms and/or one or more bonds. After the construction of a collection of (multiconfigurational) fragment wave functions in a state specific optimization procedure, the fragment wave functions are combined to form many-electron basis functions for the non-orthogonal configuration interaction of the whole system. The orbitals in the overlapping fragment are defined by a corresponding orbital transformation of the fragment orbitals through a singular value decomposition. The overlapping fragments approach is first illustrated for a model system and then used to highlight some possible applications of NOCI with overlapping fragments. In conclusion, the results of excited state diffusion in transition metal oxide, intramolecular singlet fission and magnetic interactions in organic biradicals and ionic compounds are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

NASA Tech Briefs, March 2011

Topics covered include: Optimal Tuner Selection for Kalman-Filter-Based Aircraft Engine Performance Estimation; Airborne Radar Interferometric Repeat-Pass Processing; Plug-and-Play Environmental Monitoring Spacecraft Subsystem; Power-Combined GaN Amplifier with 2.28-W Output Power at 87 GHz; Wallops Ship Surveillance System; Source Lines Counter (SLiC) Version 4.0; Guidance, Navigation, and Control Program; Single-Frame Terrain Mapping Software for Robotic Vehicles; Auto Draw from Excel Input Files; Observation Scheduling System; CFDP for Interplanetary Overlay Network; X-Windows Widget for Image Display; Binary-Signal Recovery; Volumetric 3D Display System with Static Screen; MMIC Replacement for Gunn Diode Oscillators; Feature Acquisition with Imbalanced Training Data; Mount Protects Thin-Walled Glass or Ceramic Tubes from Large Thermal and Vibration Loads; Carbon Nanotube-Based Structural Health Monitoring Sensors; Wireless Inductive Power Device Suppresses Blade Vibrations; Safe, Advanced, Adaptable Isolation System Eliminates the Need for Critical Lifts; Anti-Rotation Device Releasable by Insertion of a Tool; A Magnetically Coupled Cryogenic Pump; Single Piezo-Actuator Rotary-Hammering Drill; Fire-Retardant Polymeric Additives; Catalytic Generation of Lift Gases for Balloons; Ionic Liquids to Replace Hydrazine; Variable Emittance Electrochromics Using Ionic Electrolytes and Low Solar Absorptance Coatings; Spacecraft Radiator Freeze Protection Using a Regenerative Heat Exchanger; Multi-Mission Power Analysis Tool; Correction for Self-Heating When Using Thermometers as Heaters in Precision Control Applications; Gravitational Wave Detection with Single-Laser Atom Interferometers; Titanium Alloy Strong Back for IXO Mirror Segments; Improved Ambient Pressure Pyroelectric Ion Source; Multi-Modal Image Registration and Matching for Localization of a Balloon on Titan; Entanglement in Quantum-Classical Hybrid; Algorithm for Autonomous Landing; Quantum-Classical Hybrid for Information Processing; Small-Scale Dissipation in Binary-Species Transitional Mixing Layers; Superpixel-Augmented Endmember Detection for Hyperspectral Images; Coding for Parallel Links to Maximize the Expected Value of Decodable Messages; and Microwave Tissue Soldering for Immediate Wound Closure.

Source record↗
NASA NTRS1989

Semiclassical approach to atomic and molecular interactions

A general approach, combining quantum and classical mechanics, is used to determine the electron position and velocity distributions in atoms and atomic ions (positive and negative). The Hartree-Fock electronic wave functions and the classical central field approximation are used for evaluation of the dynamic properties of the localized electrons. The distributions, which are of fundamental importance in applications of the binary encounter approximation to description of atomic and ionic collissions, are obtained in the form of simple analytical expressions. The quantum-classical distributions of this work are compared with several other distributions in Ne, Ar, and Al atoms in the ground state.

Kunc, Joseph A.↗
DOE OSTI2025

Revisiting the assignment of atomic charges in metal oxides based on core-level x-ray photoelectron spectra: The case of Ti in SrTiO3(001)

We demonstrate that assigning formal charges to transition metal (TM) cations based on core-level (CL) x-ray photoemission binding energies in oxides leads to physically inconsistent pictures of electronic structure. O 2p–TM 3d hybridization is well known to result in significant covalency in TM–O bonds, thereby reducing TM cation charges from their fully ionic values. However, the ionic bonding model remains the working paradigm for assigning TM CL features, and the resulting cation charges are often taken to be representative of the material under study. Here, we show that a more physically meaningful way to assign charges is to extract information about charge distributions utilizing Dirac–Hartree–Fock theory to calculate CL spectra from first principles and then use the resulting wave functions to determine charges based on orbital occupancies. TM cation charges can also be determined using density functional theory and Bader population analysis. We illustrate these two methods using the Ti 2p spectrum for SrTiO3(001) and show that the agreement between them is excellent. Significantly, the resulting Ti charge is considerably lower than the formal charge. The high degree of similarity between the Ti 2p spectrum for SrTiO3 and those for the rutile and anatase polymorphs of TiO2 suggests that the charge densities surrounding Ti in the latter materials are similar to that in SrTiO3. Taking a broader perspective, oxides containing other first-row transition metals also exhibit covalent character, leading to TM cation charges lower than the analogous fully ionic values in these materials as well.

Chambers, Scott A. (ORCID:000000025415043X)↗
NASA NTRS2001

Osmotic forces and gap junctions in spreading depression: a computational model

In a computational model of spreading depression (SD), ionic movement through a neuronal syncytium of cells connected by gap junctions is described electrodiffusively. Simulations predict that SD will not occur unless cells are allowed to expand in response to osmotic pressure gradients and K+ is allowed to move through gap junctions. SD waves of [K+]out approximately 25 to approximately 60 mM moving at approximately 2 to approximately 18 mm/min are predicted over the range of parametric values reported in gray matter, with extracellular space decreasing up to approximately 50%. Predicted waveform shape is qualitatively similar to laboratory reports. The delayed-rectifier, NMDA, BK, and Na+ currents are predicted to facilitate SD, while SK and A-type K+ currents and glial activity impede SD. These predictions are consonant with recent findings that gap junction poisons block SD and support the theories that cytosolic diffusion via gap junctions and osmotic forces are important mechanisms underlying SD.

Spreading Cortical Depression/physiology↗
NASA NTRS2004

Near Space Tracking of the EM Phenomena Associated with the Main Earthquakes

Searching for electromagnetic (EM) phenomena originating in the Earth's crust prior to major earthquakes (M>5) are the object of this exploratory study. We present the idea of a possible relationship between: (1) electro-chemical and thermodynamic processes in the Earth's crust and (2) ionic enhancement of the atmosphere/ionosphere with tectonic stress and earthquake activity. The major source of these signals are proposed to originate from electromagnetic phenomenon which are responsible for these observed pre-seismic processes, such as, enhanced IR emission, also born as thermal anomalies, generation of long wave radiation, light emission caused by ground-to-air electric discharges, Total Electron Content (TEC) ionospheric anomalies and ionospheric plasma variations. The source of these data will include: (i) ionospheric plasma perturbations data from the recently launched DEMETER mission and currently available TEC/GPS network data; (ii) geomagnetic data from ORSTED and CHAMP; (iii) Thermal infra-red (TIR) transients mapped by the polar orbiting (NOAA/AVHRR, MODIS) and (iv) geosynchronous weather satellites measurements of GOES, METEOSAT. This approach requires continues observations and data collecting, in addition to both ground and space based monitoring over selected regions in order to investigate the various techniques for recording possible anomalies. During the space campaign emphasis will be on IR emission, obtained from TIR (thermal infrared) satellites, that records land/sea surface temperature anomalies and changes in the plasma and total electron content (TEC) of the ionosphere that occur over areas of potential earthquake activity.

Ouzounov, Dimitar↗
NASA NTRS1990

The saturation of the electron-cyclotron maser instability and the interpretation of solar millisecond spikes

A self-consistent numeric two-dimensional code of the kinetic wave-particle equations developed to investigate the maser dynamics in the solar context is applied to solar millisecond-spike observations in order to improve the diagnostic capabilities of the theory of the electron-cyclotron maser instablitity. Attention is given to the inhomogeneity of the magnetic field selecting magneto-ionic modes with relatively short saturation lengths and suppressing mechanisms such as collisional deflection, free-free absorption, and gyroresonance absorption. The time scales of maser saturation in respect to time scales of global particle changes in a magnetic loop are covered, relevant observations of solar millisecond spikes are described, and the interpretation in terms of physical parameters deduced from the quasi-linear maser simulations are presented. It is demonstrated that the quasi-linear simulations make it possible to constrain the physical parameters from the observed time scale and frequency.

Aschwanden, M. J.↗