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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Hydrogen at zinc vacancy of ZnO: An EPR and ESEEM study

An electron paramagnetic resonance (EPR) spectrum, labeled S1, with small-splitting doublet accompanied by weak satellites is observed in ZnO irradiated with 2 MeV electrons. The obtained structure is shown to be the hyperfine structure due to the dipolar interaction between an unpaired electron spin and a nuclear spin of hydrogen (H). The observation of the nuclear Zeeman frequency of H in electron spin echo envelope modulation experiments further confirmed the presence of a hydrogen atom in S1. From the observed spin-Hamiltonian parameters, S1 is identified to be the partly H-passivated Zn vacancy, V{sub Zn}{sup −}H{sup +}, with the H{sup +} ion making a short O-H bond with only one nearest O neighbor of V{sub Zn} in the basal plane, being off the substitutional site, while the unpaired electron spin, which gives rise to the observed EPR signal, is localized on the p orbital of another O neighbor also in the basal plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The effects of methyl internal rotation and {sup 14}N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide

The gas phase structures and internal dynamics of N,N-diethylacetamide were determined with very high accuracy using a combination of molecular beam Fourier-transform microwave spectroscopy and quantum chemical calculations at high levels. Conformational studies yielded five stable conformers with C{sub 1} symmetry. The two most energetically favorable conformers, conformer I and II, could be found in the experimental spectrum. For both conformers, quadrupole hyperfine splittings of the {sup 14}N nucleus and torsional fine splittings due to the internal rotation of the acetyl methyl group occurred in the same order of magnitude and were fully assigned. The rotational constants, centrifugal distortion constants as well as the quadrupole coupling constants of the {sup 14}N nucleus were determined and fitted to experimental accuracy. The V{sub 3} potentials were found to be 517.04(13) cm{sup −1} and 619.48(91) cm{sup −1} for conformer I and II, respectively, and compared to the V{sub 3} potentials found in other acetamides. Highly accurate CCSD(T) and DMC calculations were carried out for calculating the barriers to internal rotation in comparison with the experimentally deduced V{sub 3} values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

NMR evidence for static local nematicity and its cooperative interplay with low-energy magnetic fluctuations in FeSe under pressure

Here, we present 77 Se -NMR measurements on single-crystalline FeSe under pressures up to 2 GPa. Based on the observation of the splitting and broadening of the NMR spectrum due to structural twin domains, we discovered that static, local nematic ordering exists well above the bulk nematic ordering temperature, T s . The static, local nematic order and the low-energy stripe-type antiferromagnetic spin fluctuations, as revealed by NMR spin-lattice relaxation rate measurements, are both insensitive to pressure application. Our NMR results provide clear evidence for the microscopic cooperation between magnetism and local nematicity in FeSe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Exploring entanglement and spectral split correlations in three-flavor collective neutrino oscillations

In environments with prodigious numbers of neutrinos, such as core-collapse supernovae, neutron star mergers, or the early Universe, neutrino-neutrino interactions are dynamically significant. They can dominate neutrino flavor evolution and force it to be nonlinear, causing collective neutrino oscillations. Such collective oscillations have been studied numerically, for systems with up to millions of neutrinos, using mean-field or one-particle effective approximations. However, such a system of interacting neutrinos is a quantum many-body system, wherein quantum correlations could play a significant role in the flavor evolution—thereby motivating the exploration of many-body treatments that follow the time evolution of these correlations. In many-body flavor evolution calculations with two neutrino flavors, the emergence of spectral splits in the neutrino energy distributions has been found to be correlated with the degree of quantum entanglement across the spectrum. In this work, for the first time, we investigate the emergence of spectral splits in the three-flavor many-body collective neutrino oscillations. We find that the emergence of spectral splits resembles the number and location found in the mean-field approximation but not in the width. Moreover, unlike in the two-flavor many-body calculations, we find that additional degrees of freedom make it more difficult to establish a correlation between the location of the spectral splits and the degree of quantum entanglement across the neutrino energy spectrum. The observation from the two-flavor case, that neutrinos nearest to the spectral split frequency exhibit the highest level of entanglement, is more difficult to ascertain in the three-flavor case because of the presence of multiple spectral splits across different pairwise combinations of flavor and/or mass states. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

High efficiency solar cells combining a perovskite and a silicon heterojunction solar cells via an optical splitting system

We have applied an optical splitting system in order to achieve very high conversion efficiency for a full spectrum multi-junction solar cell. This system consists of multiple solar cells with different band gap optically coupled via an “optical splitter.” An optical splitter is a multi-layered beam splitter with very high reflection in the shorter-wave-length range and very high transmission in the longer-wave-length range. By splitting the incident solar spectrum and distributing it to each solar cell, the solar energy can be managed more efficiently. We have fabricated optical splitters and used them with a wide-gap amorphous silicon (a-Si) solar cell or a CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cell as top cells, combined with mono-crystalline silicon heterojunction (HJ) solar cells as bottom cells. We have achieved with a 550 nm cutoff splitter an active area conversion efficiency of over 25% using a-Si and HJ solar cells and 28% using perovskite and HJ solar cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

TH-CD-202-04: Evaluation of Virtual Non-Contrast Images From a Novel Split-Filter Dual-Energy CT Technique

Purpose: To compare the ability of two dual-energy CT techniques, a novel split-filter single-source technique of superior temporal resolution against an established sequential-scan technique, to remove iodine contrast from images with minimal impact on CT number accuracy. Methods: A phantom containing 8 tissue substitute materials and vials of varying iodine concentrations (1.7–20.1 mg I /mL) was imaged using a Siemens Edge CT scanner. Dual-energy virtual non-contrast (VNC) images were generated using the novel split-filter technique, in which a 120kVp spectrum is filtered by tin and gold to create high- and low-energy spectra with < 1 second temporal separation between the acquisition of low- and high-energy data. Additionally, VNC images were generated with the sequential-scan technique (80 and 140kVp) for comparison. CT number accuracy was evaluated for all materials at 15, 25, and 35mGy CTDIvol. Results: The spectral separation was greater for the sequential-scan technique than the split-filter technique with dual-energy ratios of 2.18 and 1.26, respectively. Both techniques successfully removed iodine contrast, resulting in mean CT numbers within 60HU of 0HU (split-filter) and 40HU of 0HU (sequential-scan) for all iodine concentrations. Additionally, for iodine vials of varying diameter (2–20 mm) with the same concentration (9.9 mg I /mL), the system accurately detected iodine for all sizes investigated. Both dual-energy techniques resulted in reduced CT numbers for bone materials (by >400HU for the densest bone). Increasing the imaging dose did not improve the CT number accuracy for bone in VNC images. Conclusion: VNC images from the split-filter technique successfully removed iodine contrast. These results demonstrate a potential for improving dose calculation accuracy and reducing patient imaging dose, while achieving superior temporal resolution in comparison sequential scans. For both techniques, inaccuracies in CT numbers for bone materials necessitate consideration for radiation therapy treatment planning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Valley splittings in Si/SiGe quantum dots with a germanium spike in the silicon well

Silicon-germanium heterostructures have successfully hosted quantum dot qubits, but the intrinsic near-degeneracy of the two lowest valley states poses an obstacle to high-fidelity quantum computing. Here we present a modification to the Si/SiGe heterostructure by the inclusion of a spike in germanium concentration within the quantum well in order to increase the valley splitting. The heterostructure is grown by chemical vapor deposition and magnetospectroscopy is performed on gate-defined quantum dots to measure the excited state spectrum. We demonstrate a large and widely tunable valley splitting as a function of applied vertical electric field and lateral dot confinement. We further investigate the role of the germanium spike by means of tight-binding simulations in single-electron dots and show a robust doubling of the valley splitting when the spike is present, as compared to a standard (spike-free) heterostructure. This doubling effect is nearly independent of the electric field, germanium content of the spike, and spike location. This experimental evidence of a stable, tunable quantum dot, despite a drastic change to the heterostructure, provides a foundation for future heterostructure modifications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Strain induced novel quantum magnetotransport properties of topological insulators

Recent theoretical and experimental researches have revealed that the strained bulk HgTe can be regarded as a three-dimensional topological insulator (TI). Motivated by this, we explore the strain effects on the transport properties of the HgTe surface states, which are modulated by a weak 1D in-plane electrostatic periodic potential in the presence of a perpendicular magnetic field. We analytically derive the zero frequency (dc) diffusion conductivity for the case of quasielastic scattering in the Kubo formalism, and find that, in strong magnetic field regime, the Shubnikov–de Haas oscillations are superimposed on top of the Weiss oscillations due to the electric modulation for null and finite strain. Furthermore, the strain is shown to remove the degeneracy in inversion symmetric Dirac cones on the top and bottom surfaces. This accordingly gives rise to the splitting and mixture of Landau levels, and the asymmetric spectrum of the dc conductivity. These phenomena, not known in a conventional 2D electron gas and even in a strainless TI and graphene, are a consequence of the anomalous spectrum of surface states in a fully stained TI. These results should be valuable for electronic and spintronic applications of TIs, and thus we fully expect to see them in the further experiment. - Highlights: • The strain removes the degeneracy in inversion symmetric Dirac cones. • The strain gives rise to the splitting and mixture of the Landau levels. • The strain leads to the asymmetric spectrum of the dc conductivity. • Shubnikov de Haas oscillations are shown to be superimposed on Weiss oscillations. • Interplay between strain and electric field causes different occupancy of TI states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies

Two-dimensional (2D) layered hybrid organic-inorganic halide perovskite semiconductors form natural “multiple quantum wells” that have strong spin-orbit coupling due to the heavy elements in their building blocks. This may lead to “Rashba splitting” close to the extrema in the electron bands. We have used a plethora of ultrafast transient, nonlinear optical spectroscopies and theoretical calculations to study the primary (excitons) and long-lived (free carriers) photoexcitations in thin films of 2D perovskite, namely, (C 6 H 5 C 2 H 4 NH 3 ) 2 PbI 4 . The density functional theory calculation shows the occurrence of Rashba splitting in the plane perpendicular to the 2D barrier. From the electroabsorption spectrum and photoinduced absorption spectra from excitons and free carriers, we obtain a giant Rashba splitting in this compound, with energy splitting of (40 ± 5) meV and Rashba parameter of (1.6 ± 0.1) eV·Å, which are among the highest Rashba splitting size parameters reported so far. In conclusion, this finding shows that 2D hybrid perovskites have great promise for potential applications in spintronics.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Magnetic photon splitting and gamma ray burst spectra

The splitting of photons into two photons becomes both possible and significant in magnetic fields in excess of 10(exp 12) Gauss. Below the threshold energy, 2m sub e c(exp 2) for single photon pair production, splitting can be an astronomically observable phenomenon evident in gamma ray burst spectra. In such circumstances, it was found that magnetic photon splitting reprocesses the gamma ray burst continuum by degrading the photon energy, with a net effect that is quite similar to pair cascade reprocessing of the spectrum. Results are presented for the spectral modifications due to splitting, taking into account the different probabilities for splitting for different polarization modes. Unpolarized and polarized pair cascade photon spectra form the input spectra for the model, which calculates the resulting splitting reprocessed spectra numerically by solving the photon kinetic equations for each polarization mode. This inclusion of photon polarizations is found to not alter previous predictions that splitting produce a significant flattening of the hard X ray continuum and a bump at MeV energies below a pair production turnover. The spectrum near the bump is always strongly polarized.

Baring, Matthew G.↗
NASA NTRS1991

The application of experimental data to blade wake interaction noise prediction

Blade wake interaction noise (BWI) has been defined as the broadband noise generated by the ingestion of turbulent trailing tip vortices by helicopter rotors. This has been shown to be the dominant contributor to the subjectively important part of the acoustic spectrum for the approach stage of a helicopter flyover. A prediction method for BWI noise based on the calculated trailing vortex trajectories has been developed and estimates of the vortex turbulence have been made. These measurements were made on a trailing vortex from a split wing arrangement and did not give the spectrum of the velocity fluctuations. A recent experiment carried out to measure the turbulence associated with a trailing vortex and the application of the results to BWI noise prediction is described.

Glegg, Stewart A. L.↗
NASA NTRS1984

Analysis and Interpretation of Synthetic Time Strings of Oscillation Data

Artificial strings of solar oscillation data with gaps and noise, corresponding to the output of different spatial filter functions, were analyzed. Peaks in the power spectrum are identified for values of the degree l from 0 to 18, and rotational splitting is estimated. The filters prove effective in facilitating identification of essentially all the real peaks in the power spectrum. Estimates of peak frequencies and amplitudes and rotational splitting frequencies are in reasonably good agreement with the input values. Spurious peaks in autocorrelation spectra correspond to the frequency spacing between power peaks with the same order n, differing by one or two in the degree l.

Mihalas, B. W.↗
DOE OSTI2015

The Drift Chamber for the Experiment to Study the Nature of the Confinement

The GlueX experiment was designed to search for hybrid mesons with exotic quantum numbers using a beam of linearly polarized photons incident on a liquid hydrogen target. The spectrum of these states and their mass splitting from normal mesons may yield information on confinement. The description of the GlueX spectrometer and Forward Drift Chambers (FDC) as a part of track reconstruction system is presented in the text. FDC‘s are multiwire chambers with cathode and anode read-out. The system allows reconstructing tracks of charged particles with ~200mkm accuracy with angles from 20° up to 1°. One of the detector features is 1.64% X 0 material amount in the active area. The cathode gain calibration procedure is presented. The results of such calibration using cosmic data and beam data are presented as well.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Study of the nature of the confinement in the GlueX experiment

Confinement is a fundamental property of quantum chromodynamics (QCD) associated with the unique role of the gluonic field responsible for binding quarks in hadrons. Understanding the role of gluons in the confinement of quarks is one of the most tantalizing topics in modern particle physics to be explored. The new experiment GlueX has been recently constructed at Jefferson Lab. The experiment was designed to search for hybrid mesons with exotic quantum numbers using a beam of linearly polarized photons incident on a liquid hydrogen target. The spectrum of these states and their mass splitting from normal mesons may yield information on confinement. In addition, these observations in combination with detailed chromodynamics calculations such as on the Lattice can provide important tests for our understanding of the role of gluons. The production of exotic mesons is expected to be enhanced in p interactions, where the experimental data is very limited. We present the description of the GlueX detector, beam line, and first results of the commissioning with photon beam.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Rotaxane rings promote oblique packing and extended lifetimes in DNA-templated molecular dye aggregates

Abstract Molecular excitons play a central role in natural and artificial light harvesting, organic electronics, and nanoscale computing. The structure and dynamics of molecular excitons, critical to each application, are sensitively governed by molecular packing. Deoxyribonucleic acid (DNA) templating is a powerful approach that enables controlled aggregation via sub-nanometer positioning of molecular dyes. However, finer sub-Angstrom control of dye packing is needed to tailor excitonic properties for specific applications. Here, we show that adding rotaxane rings to squaraine dyes templated with DNA promotes an elusive oblique packing arrangement with highly desirable optical properties. Specifically, dimers of these squaraine:rotaxanes exhibit an absorption spectrum with near-equal intensity excitonically split absorption bands. Theoretical analysis indicates that the transitions are mostly electronic in nature and only have similar intensities over a narrow range of packing angles. Compared with squaraine dimers, squaraine:rotaxane dimers also exhibit extended excited-state lifetimes and less structural heterogeneity. The approach proposed here may be generally useful for optimizing excitonic materials for a variety of applications ranging from solar energy conversion to quantum information science.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water

Attosecond-pump/attosecond-probe experiments have long been sought as the most straightforward method for observing electron dynamics in real time. Although there has been much success with overlapped near-infrared femtosecond and extreme ultraviolet attosecond pulses combined with theory, true attosecond-pump/attosecond-probe experiments have been limited. Here we used a synchronized attosecond x-ray pulse pair from an x-ray free-electron laser to study the electronic response to valence ionization in liquid water through all x-ray attosecond transient absorption spectroscopy (AX-ATAS). Our analysis showed that the AX-ATAS response is confined to the subfemtosecond timescale, eliminating any hydrogen atom motion and demonstrating experimentally that the 1b 1 splitting in the x-ray emission spectrum is related to dynamics and is not evidence of two structural motifs in ambient liquid water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Tin–Lead Liquid Metal Alloy Source for Focused Ion Beams

Focused Ion Beam (FIB) systems are increasingly utilized in nanotechnology for nanostructuring, surface modification, doping, and rapid prototyping. Recently, their potential for quantum applications has been explored, leveraging FIB’s direct-write capabilities for in situ single ion implantation, which is crucial for fabricating single photon emitters. Color centers in diamond can function as qubits and are of particular interest due to their capacity to store and transmit quantum information. While Group-IV color centers exhibit high brightness, they require low temperatures to retain coherence. However, lead-vacancy in diamond (PbV) operates at the higher end (4 K) of this temperature spectrum due to larger ground-state splitting, making them particularly interesting. In this context, our study presents results for lead (Pb)-containing alloys with eutectic points below 600 °C and results on using tantalum (Ta) and titanium (Ti) as emitter materials for a Pb liquid metal alloy ion source. We show that a standard FIB system is able to resolve the different Pb isotopes and achieve nanoscale spot sizes, as required for quantum information science applications.

color center↗
DOE OSTI2025

A Parameter-masked Mock Data Challenge for Beyond-two-point Galaxy Clustering Statistics

The past few years have seen the emergence of a wide array of novel techniques for analyzing high-precision data from upcoming galaxy surveys, which aim to extend the statistical analysis of galaxy clustering data beyond the linear regime and the canonical two-point (2pt) statistics. We test and benchmark some of these new techniques in a community data challenge named “Beyond-2pt,” initiated during the Aspen 2022 Summer Program “Large-Scale Structure Cosmology beyond 2-Point Statistics,” whose first round of results we present here. The challenge data set consists of high-precision mock galaxy catalogs for clustering in real space, in redshift space, and on a light cone. Participants in the challenge have developed end-to-end pipelines to analyze mock catalogs and extract unknown (“masked”) cosmological parameters of the underlying ΛCDM models with their methods. The methods represented are density-split clustering, nearest neighbor statistics, BACCO power spectrum emulator, void statistics, LEFTfield field-level inference using effective field theory (EFT), and joint power spectrum and bispectrum analyses using both EFT and simulation-based inference. In this work, we review the results of the challenge, focusing on problems solved, lessons learned, and future research needed to perfect the emerging beyond-2pt approaches. The unbiased parameter recovery demonstrated in this challenge by multiple statistics and the associated modeling and inference frameworks supports the credibility of cosmology constraints from these methods. The challenge data set is publicly available, and we welcome future submissions from methods that are not yet represented.

Krause, Elisabeth [Univ. of Arizona, Tucson, AZ (U↗