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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Airborne microwave Doppler measurements of ocean wave directional spectra

A technique is presented for measuring ocean wave directional spectra from aircraft using microwave Doppler radar. The technique involves backscattering coherent microwave radiation from a patch of sea surface which is small compared to dominant ocean wavelengths in the antenna look direction, and large compared to these lengths in the perpendicular (azimuthal) direction. The mean Doppler shift of the return signal measured over short time intervals is proportional to the mean sea surface velocity of the illuminated patch. Variable sea surface velocities induced by wave motion therefore produce time-varying Doppler shifts in the received signal. The large azimuthal dimension of the patch implies that these variations must be produced by surface waves traveling near the horizontal antenna look direction thus allowing determination of the direction of wave travel. Linear wave theory is used to convert the measured velocities into ocean wave spectral densities. Spectra measured simultaneously with this technique and two laser profilometers, and nearly simultaneous with this technique and two laser profilometers, and nearly simultaneous with a surface buoy, are presented. Applications and limitations of this airborne Doppler technique are discussed.

Plant, W. J.↗
NASA NTRS2018

Application of Ab Initio Methods in the Development of Advanced Technical Ceramics

A significant need exists to develop materials not only capable of providing desired electronic and mechanical properties but also survival at extreme temperatures during service and device fabrication, such as co-firing. Computational methods offers an efficient and systematic manner to design new materials and guide their development. As an example computational -based material approaches can be used to determine the suitability of a given materials as a practical thermoelectric for energy harvesting. In this presentation examples are given of applications to relevant technical ceramics such as thermoelectrics, dielectrics, and magnetic systems. The calculation were based on density functional theory and carried out with norm conserving and projector augmented wave (PAW) methods using commercial codes Materials Studio ( Biovia, Inc) with the Cambridge Serial Total Energy Package (CASTEP) and MedeA (Materials Design Inc.) utilizing the Vienna Ab-initio Simulation Package (VASP) as the respective computational engines. This study makes predictions of relevant technical properties of ceramic materials.

thermoelectric↗
DOE OSTI2026

6⁢𝐻-perovskite dimer lattice with antiferromagnetic interactions: Ba 3⁢ Zn 1−𝑥⁢ Ca 𝑥 ⁢Ru 2 ⁢O 9

Here, we investigate the magnetic behavior of the 6⁢𝐻-perovskite dimer lattice Ba 3 ⁢Zn 1−𝑥 ⁢Ca 𝑥 ⁢Ru 2 ⁢O 9 using analytical theory, density functional theory, inelastic neutron scattering, and modeling of historical magnetization and neutron-scattering data. A dimer mean-field theory built upon classical Luttinger–Tisza analysis generates a phase diagram revealing a transition from a nonmagnetic singlet to a finite-moment ground state as interdimer couplings increase. A (generalized) linear spin-wave theory captures multiplet mixing, excitation gap closing, and fluctuation-induced moment suppression. Density-functional-theory calculations on selected compounds, together with neutron spectroscopy of dilute Ba 3 ⁢Zn⁢(Ru 1−𝑥 ⁢Sb 𝑥 ) 2 ⁢O 9 , confirm the exchange hierarchy, enabling quantification of previously published experiments within this framework. Our results identify three mechanisms for magnetic moment suppression—quantum fluctuations, ligand hybridization, and nonmagnetic-singlet/magnetic-multiplet mixing.

Pajerowski, Daniel M. [Oak Ridge National Laborato↗
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)↗
DOE OSTI2024

First Measurement of Drift-Alfvén Wave Polarization in Magnetically Confined Fusion Plasmas

Polarization of drift-Alfvén waves, defined as the ratio of electrostatic to electromagnetic fluctuations, has remained unmeasurable in fusion plasmas for decades, despite its pivotal role in understanding wave dynamics and their impact on plasmas. We report the first measurements of drift-Alfvén wave polarization in a hot, magnetically-confined plasma. Here, the breakthrough is enabled by a novel methodology developed from gyrokinetic theory, utilizing fluctuations of electron temperature and density. Analysis of data from the DIII-D tokamak reveals that the waves above the geodesic acoustic mode frequency exhibit dominant electromagnetic polarization, whereas lower frequency waves show a mix of electromagnetic and electrostatic polarization, indicating a strong coupling between shear Alfvén waves and drift-acoustic waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation

We report the development of a novel diagnostic tool, named wave function overlap tool (WFOT), designed to evaluate the overlap between wave functions computed at single-reference [i.e., time-dependent density functional theory or configuration interaction singles (CIS)] and multireference (i.e., CASSCF/CASPT2) electronic structure levels of theory. It relies on truncating the single- and multireference WFs to CIS-like expansions spanning the same configurational space and maximizing the molecular orbital overlap by means of a unitary transformation. To demonstrate the functionality of the tool, we calculate the transient spectrum of acetylacetone by evaluating excited state absorption signals with multireference quality on top of single-reference on-the-fly dynamics simulations. Semiautomatic spectra generation is facilitated by interfacing the tool with the COBRAMM package, which also allows one to use WFOT with several quantum chemistry codes such as Gaussian, NWChem, and OpenMolcas. Finally, other exciting possibilities for the utilization of the code beyond the simulation of transient absorption spectroscopy are eventually discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Diffusion Quantum Monte Carlo Benchmarking of Magnetic Moments in MnBi 2 Te 4

The intrinsically antiferromagnetic topological insulator, MnBi 2 Te 4 (MBT), has garnered significant attention recently due to its potential to host numerous exotic topological quantum states. Unfortunately, their consistent realization has been hindered by intrinsic antisite defects among the Mn and Bi sublattices. In this work, we establish Mn magnetization of pristine MBT through high level diffusion Monte Carlo calculations, which can serve as a precise starting point for various models to estimate antisite defect concentrations in actual MBT samples. The benchmark quality of DMC calculations is further identified from out model estimating antisite defect concentrations, which combines the benchmarked Mn magnetization with data from magnetic susceptibility and intermediate field magnetization measurements. This reproduces well Bi Mn and Mn Bi concentrations measured in the experiments. Here, we anticipate these theoretically based magnetic purity measures may be used as minimization targets in cycles of refinement to synthesize MBT with low antisite defect concentrations and more reproducible topological properties.

Defects↗
NASA NTRS1976

Rocket-borne wave, field, and plasma observations in unstable polar cap E-region

This paper presents initial results from the first comprehensively instrumented rocket flown through a Farley-unstable polar cap E-region. Ground-based ionosondes and magnetometers at two locations and HF radar backscatter at the launch site were used to determine the presence of a geographically widespread ionospheric plasma instability. The observed wave direction, electric field, and current density fit the predictions of the linear theory of the Farley instability, whereas the gradient-drift instability seems to be excluded by the geometry of the observations.

Olesen, J. K.↗
NASA NTRS1979

The reflection of impulses from a nonlinear random sea

A model of the reflection of radar impulses from the sea at near-vertical incidence is used to account for non-Gaussian ocean waves statistics. The joint probability density function (pdf), of wave height and slope, is calculated according to the theory of Longuet-Higgins (1963) on the distribution of variables in a 'weakly nonlinear' random era. The long-crested approximation is made, a Phillips wave spectrum is assumed, and the Gram-Charlier series is truncated after skewness terms. It is found that the height and height-slope skewness coefficients bear the ratio 1:2 and that the derived impulse response and conditional cross section versus wave height are in excellent agreement with previous observations. Finally, it is suggested that the empirically determined and theoretically predicted sea state bias be corrected for in the routine processing of satellite radar altimeter data.

Jackson, F. C.↗
NASA NTRS1994

Resonantly driven nonlinear density waves in protostellar disks

Recent observations of binary, pre-main-sequence, solar-type stars provide evidence that such systems may coexist with circumstellar disks. The binary disk systems, besides being of general interest for the study of star formation, potentially provide useful tests of companion-disk interaction theories prominent in current hypotheses of planet formation. In this paper, we apply an asymptotic analysis of the nonlinear, resonant interaction of a stellar companion with a disk to understand the dependence of such interactions on the properties of the system: the binary mass ratio, the physical properties of the disk, and the effective dissipation (treated herein as viscosity). The method is based on a WKBJ approximation and exploits the conditions that the disk is thin and much less massive than the primary, but does not require that the companion-induced disturbance be small. Both isothermal and adiabatic responses are treated. Only circular orbit resonances are considered in this paper. It is demonstrated that the temperature of the disk as well as the relative mass of the companion affects the degree of nonlinearity, and that nonlinearity promotes high wave compression ratios, long wavelengths, and increased propagation distances. Nevertheless, the total torque exerted between the companion and the disk is well represented by linear theory. The amplitudes of density disturbances are reduced by viscosity and nonisothermality. Because resonant interactions are generally strong and capable of driving rapid evolution, one might expect observations of systems undergoing strong, resonant-driven evolution to be rare. In this connection, it is pointed out that the m = 1 resonance is distinguished by being anomalously weaker than the others and is therefore of observational interest. It is speculated that, in conditions of intrinsically small dissipation, the propagation of resonant-driven density waves is limited by the tendency of their wavelength to diminish with distance, and that the propagation distance (and therefore the region of the disk to which angular momentum is redistributed) is set by the distance at which the wavelength becomes comparable to the disk thickness.

Yuan, Chi↗
NASA NTRS1986

A test of Lee's quasi-linear theory of ion acceleration by interplanetary traveling shocks

Lee's (1983) quasi-linear theory of ion acceleration is tested using ISEE-3 measurements of the November 12, 1978 quasi-parallel interplanetary shock. His theory accounts with varying degrees of precision for the energetic proton spatial profiles; the dependence of the spectral index of the power law proton velocity distribution upon the shock compression ratio; the power law dependence of the upstream proton scalelength upon energy; the absolute magnitude of the upstream proton scale length; the behavior of the energetic proton anisotropy upstream and downstream of the shock; the behavior of the alpha-particle proton ratio upstream; the equality of the spatial scale lengths at the shock of the upstream waves and of the protons that resonate with them; and the dependence of the integrated wave energy density upon the proton energy density at the shock. However, the trace magnetic field frequency spectra disagree with his theory in two ways. The part of the spectrum that can resonate with the observed protons via first-order cyclotron resonance is flat, whereas Lee's theory predicts an f exp - 7/4 frequency dependence for the November 12 shock. Higher frequency waves, which could not resonate with the observed upstream protons, increased in amplitude as the shock approached, suggesting that they too were generated by the shock.

Kennel, C. F.↗
DOE OSTI2025

Revealing rotational symmetry breaking charge density wave order in the kagome superconductor (Rb, K)⁢V 3 ⁢Sb 5 by ultrafast pump-probe experiments

The recently discovered Kagome superconductor 𝐴⁢V 3 ⁢Sb 5 (where 𝐴 refers to K, Rb, Cs) has stimulated widespread research interest due to its interplay of nontrivial topology and unconventional correlated physics including charge-density waves (CDW) and superconductivity. The essential prerequisite to understanding the microscopic mechanisms of this complex electronic landscape is to unveil the configuration and symmetry of the charge-density wave order. As to now, little consensus has been made on what symmetry is broken. Herein, we clarify the microscopic structure and symmetry breaking of the CDW phase in RbV 3 ⁢Sb 5 and KV 3 ⁢Sb 5 by ultrafast time-resolved reflectivity. Our approach is based on extracting coherent phonon spectra induced by three-dimensional CDW and comparing them to calculated phonon frequencies via density-functional theory. The combination of these experimental results and calculations provides compelling evidence that the CDW structure of both compounds prevailing up to 𝑇 CDW is the 2 × 2 × 2 staggered inverse Star-of-David pattern with interlayer 𝜋 phase shift, in which the sixfold rotational symmetry is broken. Finally, these observations thus corroborate sixfold rotational symmetry breaking throughout the CDW phase of RbV 3 ⁢Sb 5 and KV 3⁢ Sb 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Theory of short-scale field-aligned density striations due to ionospheric heating

The theoretical saturation spectrum of parametrically excited Langmuir waves in a locally uniform ionosphere is shown by the present calculations to produce, by ohmic dissipation, short-scale field-aligned density striations. The spectrum of the calculated striations is not inconsistent with observations of field-aligned scatter of VHF and UHF waves in ionospheric modification experiments if local increases of the pump field due to focusing are invoked.

Lee, M.-C.↗
NASA NTRS2008

Kinetic Temperature and Electron Density Measurement in an Inductively Coupled Plasma Torch using Degenerate Four-Wave Mixing

Laser wave mixing is presented as an effective technique for spatially resolved kinetic temperature measurements in an atmospheric-pressure radio-frequency inductively-coupled plasma. Measurements are performed in a 1 kW, 27 MHz RF plasma using a continuous-wave, tunable 811.5-nm diode laser to excite the 4s(sup 3)P2 approaches 4p(sup 3)D3 argon transition. Kinetic temperature measurements are made at five radial steps from the center of the torch and at four different torch heights. The kinetic temperature is determined by measuring simultaneously the line shape of the sub-Doppler backward phase-conjugate degenerate four-wave mixing and the Doppler-broadened forward-scattering degenerate four-wave mixing. The temperature measurements result in a range of 3,500 to 14,000 K+/-150 K. Electron densities measured range from 6.1 (+/-0.3) x 10(exp 15)/cu cm to 10.1 (+/-0.3) x 10(exp 15)/cu cm. The experimental spectra are analyzed using a perturbative treatment of the backward phase-conjugate and forward-geometry wave-mixing theory. Stark width is determined from the collisional broadening measured in the phase-conjugate geometry. Electron density measurements are made based on the Stark width. The kinetic temperature of the plasma was found to be more than halved by adding deionized water through the nebulizer.

Schafer, Julia↗
NASA NTRS1997

Spectral Density of Laser Beam Scintillation in Wind Turbulence: Theory - Part 1

The temporal spectral density of the log-amplitude scintillation of a laser beam wave due to a spatially dependent vector-valued crosswind (deterministic as well as random) is evaluated. The path weighting functions for normalized spectral moments are derived, and offer a potential new technique for estimating the wind velocity profile. The Tatarskii-Klyatskin stochastic propagation equation for the Markov turbulence model is used with the solution approximated by the Rytov method. The Taylor 'frozen-in' hypothesis is assumed for the dependence of the refractive index on the wind velocity, and the Kolmogorov spectral density is used for the refractive index field.

Balakrishnan, A. V.↗