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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Theoretical Study of High Harmonic Generation in Monolayer NbSe 2

High harmonic generation (HHG) is a powerful probe of electron dynamics on attosecond to femtosecond time scales and has been successfully used to detect electronic and structural changes in solid-state quantum materials, including transition-metal dichalcogenides (TMDs). Among TMDs, bulk NbSe 2 exhibits charge density wave (CDW) order below 33 K and becomes superconducting below 7.3 K. Monolayer NbSe 2 also has superconducting and CDW behavior and is therefore interesting as a material whose different structural and electronic properties could be probed via HHG. Here, we predict the HHG response of the pristine 2H and CDW phases of monolayer NbSe 2 using real-time time-dependent density functional theory under the application of a simulated laser pulse excitation. We find that due to the lack of inversion symmetry in both monolayer phases, it is possible to excite even harmonics and that the even harmonics appear as the transverse components of the current response under excitations polarized along the zigzag direction of the monolayer, while odd harmonics arise from the longitudinal current response in all excitation directions. This suggests that the even and odd harmonic responses can be controlled via the polarization of the probing field, opening an avenue for potentially useful applications in optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dark counts in optical superconducting transition-edge sensors for rare-event searches

Superconducting transition-edge sensors (TESs) are a type of quantum sensor known for their high single-photon detection efficiency and low background. This makes TESs ideal for particle-physics experiments searching for rare events. In this work, we present a comprehensive characterization of the background in optical TESs, distinguishing three types of events: electrical-noise, high-energy, and photonlike events. We introduce computational methods to automate the classification of events. We experimentally verify and simulate the source of the high-energy events. We also isolate the photonlike events, the expected signal in dielectric haloscopes searching for dark-matter dark photons, and achieve a photonlike dark-count rate of 3.6× 10 − 4 in the 0.8–3.2 eV energy range.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Shock-compressed silicon: Hugoniot and sound speed up to 2100 GPa

In this work, the high-pressure equation of state and isentropic sound speed of fluid silicon were studied using laser-driven shock waves. Principal Hugoniot measurements to 2100 GPa were performed using impedance matching to an α-quartz reference. Sound speed was determined by time correlating imposed shock-velocity perturbations in both the sample (Si) and reference material (α-quartz). A change in shock velocity versus particle velocity (u s –u p ) slope on the fluid silicon principal Hugoniot was detected at 200 GPa. Density functional theory-based quantum molecular dynamics simulations suggest that an increase in ionic coordination and 50% increase in average ionization is coincident with the experimentally observed change in slope.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Near-Monochromatic Tuneable Cryogenic Niobium Electron Field Emitter

We report creating, manipulating, and detecting coherent electrons is at the heart of future quantum microscopy and spectroscopy technologies. Leveraging and specifically altering the quantum features of an electron beam source at low temperatures can enhance its emission properties. Here, we describe electron field emission from a monocrystalline, superconducting niobium nanotip at a temperature of 5.9 K. The emitted electron energy spectrum reveals an ultranarrow distribution down to 16 meV due to tunable resonant tunneling field emission via localized band states at a nanoprotrusion’s apex and a cutoff at the sharp low-temperature Fermi edge. This is an order of magnitude lower than for conventional field emission electron sources. The self-focusing geometry of the tip leads to emission in an angle of 3.7°, a reduced brightness of 3.8 × 10 8 A/(m 2 srV), and a stability of hours at 4.1 nA beam current and 69 meV energy width. This source will decrease the impact of lens aberration and enable new modes in low-energy electron microscopy, electron energy loss spectroscopy, and high-resolution vibrational spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Noninvasive measurements of spin transport properties of an antiferromagnetic insulator

Antiferromagnetic insulators (AFIs) are of substantial interest because of their potential in the development of next-generation spintronic devices. One major effort in this emerging field is to harness AFIs for long-range spin information communication and storage. Here, we report a noninvasive method to optically access the intrinsic spin transport properties of an archetypical AFI α-Fe 2 O 3 via nitrogen-vacancy (NV) quantum spin sensors. By NV relaxometry measurements, we successfully detect the frequency-dependent dynamic fluctuations of the spin density of α-Fe 2 O 3 along the Néel order parameter, from which an intrinsic spin diffusion constant of α-Fe 2 O 3 is experimentally measured in the absence of external spin biases. Our results highlight the significant opportunity offered by NV centers in diagnosing the underlying spin transport properties in a broad range of high-frequency magnetic materials such as two-dimensional magnets, spin liquids, and magnetic Weyl semimetals, which are challenging to access by the conventional measurement techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

KCuF3 KPZ data repository

Data repository for 'Detection of Kardar-Parisi-Zhang hydrodynamics in a quantum Heisenberg spin-1/2 chain'. Data taken on KCuF3 on SEQUOIA spectrometer at ORNL's SNS.

1D spin chain↗
NASA NTRS1982

Can we detect antimatter from other galaxies

A novel particle detection technique employing well established principles of high order quantum electrodynamics for searching for antimatter in cosmic rays is described, and shown to have both collecting power and resolution superior to conventional alternatives. By taking into account various estimates of the metagalactic cosmic-ray energy density, and the possible modulation of metagalactic cosmic rays by a galactic wind within the framework of the dynamical halo model, it is shown that the experiment proposed would be the first to be sensitive to the presence of extragalactic antimatter.

Ahlen, S. P.↗
NASA NTRS1983

What does the eye see best?

The quantum efficiency of the human eye is measured for detecting a wide variety of spatiotemporal patterns using foveal vision in bright light. The performance of an ideal visual detector whose weighting function is matched to the signal is analyzed in the abstract, and the conditions of a two-interval forced-choice experiment are described. The best stimulus found is a small, briefly exposed circular patch of sinusoidal grating having a spatial frequency of about 7 c/deg, drifting at about 4 Hz. It is proposed that this is the weighting function of the most efficient human contrast detector. This function resembles the receptive field sensitivity profiles of many cortical neurons. The detectors resemble those derived from other recent experiments on both detection and discrimination and may account for a broad range of previous psychophysical results.

Watson, A. B.↗
NASA NTRS2006

Photodetector Arrays for Multicolor Visible/Infrared Imaging

Monolithic focal-plane arrays of photodetectors capable of imaging the same scenes simultaneously in multiple wavelength bands in the visible and infrared spectral regions have been proposed. In prior visible/infrared imaging systems, it has been standard practice to use separate optical trains to form images in visible and infrared wavelength bands on separate visibleand infrared-photodetector arrays. Because the proposal would enable the detection of images in multiple wavelength bands on the same focal plane, the proposal would make it unnecessary to use multiple optical trains. Hence, multispectral imaging systems could be made more compact and the difficulties of aligning multiple optical trains would be eliminated. Each pixel in an array according to the proposal would contain stacks of several photodetectors. The proposal is a logical extension of prior concepts of arrays of stacked photodetectors for imaging in two or three wavelength bands. For example, such an array was described in Three-Color Focal-Plane Array of Infrared QWIPs (NPO-20683), NASA Tech Briefs, Vol. 24, No. 5 (May 2000), page 26a. In one proposed design, (see figure), each pixel would be divided into four subpixels, one being dedicated to a visible- and-near-infrared (V) band, one to a combination of the V band and a verylong- wavelength infrared (VLWIR) band, one to a combination of the V band and a long-wavelength infrared (LWIR) band, and one to a combination of the V band and a medium-wavelength infrared (MWIR) band. For this purpose, each subpixel would include a GaAs-based positive/intrinsic/negative (PIN) photodiode for detection in the V band stacked with three quantum-well infrared photodetectors (QWIPs), each optimized for one of the aforementioned infrared bands. The stacks of photodetectors in all the subpixels would be identical except for the electrical connections, which would be configured to activate the various wavelengthband combinations.

Gunapala, Sarath↗
DOE OSTI2025

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo

Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators. At time-reversal invariant points in the Brillouin zone, spin–orbit coupling (SOC) induces a swapping of orbital character at the bulk band edges. Reliably detecting band inversion in solid-state systems with many-body methods would aid in identifying possible candidates for spintronics and quantum computing applications and improve our understanding of the physics behind topologically nontrivial systems. Density functional theory (DFT) methods are a well-established means of investigating these interesting materials due to their favorable balance of computational cost and accuracy but often struggle to accurately model the electron–electron correlations present in the many materials containing heavier elements. In this work, we develop a novel method to detect band inversion within continuum quantum Monte Carlo (QMC) methods that can accurately treat the electron correlation and spin–orbit coupling that are crucial to the physics of topological insulators. Our approach applies a momentum-space-resolved atomic population analysis throughout the first Brillouin zone utilizing the Löwdin method and the one-body reduced density matrix produced with diffusion Monte Carlo (DMC). We integrate this method into QMCPACK, an open source ab initio QMC package, so that these ground-state methods can be used to complement experimental studies and validate prior DFT work on predicting the band structures of correlated topological insulators. Here, we demonstrate this new technique on the topological insulator bismuth telluride, which displays band inversion between its Bi-p and Te-p states at the Γ-point. We show an increase in charge on the bismuth-p orbital and a decrease in charge on the tellurium-p orbital when comparing band structures with and without SOC. Additionally, we use our method to compare the degree of band inversion present in monolayer Bi 2 Te 3 , which has no interlayer van der Waals interactions, to that seen in the bilayer and bulk. The method presented here will enable future many-body studies of band inversion that can shed light on the delicate interplay between correlation and topology in correlated topological materials.

Band structure↗
DOE OSTI2021

Optically detected NMR in a diamond-anvil cell for geochemistry

Developments in quantum-information processing are being adapted to perform nuclear-magnetic resonance (NMR) measurements on solutions in very small volumes. Here we describe efforts to adapt the technology to a diamond-anvil cell (DAC), with the goal of conducting solution NMR measurements at elevated pressures and temperatures. At the center of the method is the use of diamonds that have a particular type of defect that pairs a nitrogen atom substitution for near-surface carbon with a vacancy. These NV sites have unpaired electrons that can be excited while conserving electron spins and the amount of light released upon decay of the excited state depends upon the orientation of the electron spin. Under certain conditions the NV centers can probe AC magnetic fields from nearby nuclei with exquisite sensitivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantitative Detection of Products and Radical Intermediates in Low-Temperature Oxidation of Cyclopentane

We present a combined experimental and theoretical investigation of the autoignition chemistry of a prototypical cyclic hydrocarbon, cyclopentane. Experiments using a high-pressure photolysis reactor coupled to time-resolved synchrotron VUV photoionization mass spectrometry directly probe the short-lived radical intermediates and products in cyclopentane oxidation reactions. We detect key peroxy radical intermediates ROO and OOQOOH, as well as several hydroperoxides, formed by second O 2 addition. Automated quantum chemical calculations map out the R + O 2 + O 2 reaction channels and demonstrate that the detected intermediates belong to the dominant radical chain-branching pathway: ROO (+ O 2 ) → γ-QOOH + O 2 → γ-OOQOOH → products. ROO, OOQOOH, and hydroperoxide products of second-O 2 addition undergo extensive dissociative ionization, making their experimental assignment challenging. We use photoionization dynamics calculations to aid in their characterization and report the absolute photoionization spectra of isomerically pure ROO and γ-OOQOOH. Here, a global statistical fit of the observed kinetics enables reliable quantification of the time-resolved concentrations of these elusive, yet critical species, paving the way for detailed comparisons with theoretical predictions from master-equation-based models.

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

Coherent anti-Stokes Raman scattering with squeezed light: CARS for quantum-enhanced spectroscopy and imaging

We theoretically investigate quantum-enhanced coherent anti-Stokes Raman scattering (CARS) using squeezed light to amplify vibrational transition rates at low photon flux. Quantum sensing approaches are needed for nondestructive nanometrology such as in bioimaging where reduced photodamage is desired while retaining resolution and sensitivity. We analyze both single-mode squeezing applied to the pump field and two-mode squeezing between the pump and Stokes fields. We also show that the ordering of displacement and squeezing operations—whether displacement precedes squeezing or squeezing precedes displacement—has an impact on the resulting CARS transition amplitudes due to a difference in the photon number and the quantum-enhancement coefficients, with the latter offering a stronger enhancement in the case of two modes squeezing of the pump and Stokes under experimentally accessible conditions. Furthermore, our calculations capture these quantum enhancements through the intrinsic photon-number correlations of squeezed light, eliminating the need for interferometric detection or higher pump powers that are otherwise required to reach comparable sensitivities in classical CARS. Finally, we outline a quantum plasmonic extension of our model in which local field enhancements caused by surface plasmon excitation in metallic nanoparticles can be incorporated via mode-selective field amplification factors, offering a pathway toward combining squeezed-light quantum optics with surface-enhanced nanoscale spectroscopy and imaging.

Atomic & molecular structure↗
NASA NTRS1977

Detection of long wavelength infrared at moderate temperatures

Technical approaches for the advanced development of 8-12 micrometer detectors operating at elevated temperatures were defined. The theoretical limits to performance of 8-12 micrometer quantum detectors (photoconductive and photovoltaic) and thermal detectors (pyroelectrics, bolometers etc). An analytic model of signal and noise in both quantum detectors and pyroelectric detectors was developed and candidate materials for both detector types were identified and examined. The present status of both quantum and thermal detectors was assessed as well as the parameters limiting operating temperature and detectivity. The areas of research and development likely to lead to detector performance near the theoretical limit are identified.

Tredwell, T. J.↗
DOE OSTI2021

A quantum material spintronic resonator

In a spintronic resonator a radio-frequency signal excites spin dynamics that can be detected by the spin-diode effect. Such resonators are generally based on ferromagnetic metals and their responses to spin torques. New and richer functionalities can potentially be achieved with quantum materials, specifically with transition metal oxides that have phase transitions that can endow a spintronic resonator with hysteresis and memory. Here we present the spin torque ferromagnetic resonance characteristics of a hybrid metal-insulator-transition oxide/ ferromagnetic metal nanoconstriction. Our samples incorporate V 2 O 3 , with Ni, Permalloy (Ni 80 Fe 20 ) and Pt layers patterned into a nanoconstriction geometry. The first order phase transition in V 2 O 3 is shown to lead to systematic changes in the resonance response and hysteretic current control of the ferromagnetic resonance frequency. Further, the output signal can be systematically varied by locally changing the state of the V 2 O 3 with a dc current. These results demonstrate new spintronic resonator functionalities of interest for neuromorphic computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Photon temporal-mode readout for inference of neutron star merger remnant gravitational waves

Gravitational waves emitted after neutron star binary coalescences and the information they carry about dense matter are a high-priority target for next-generation detectors. Even though such detectors are expected to observe millions of signals, detectable postmerger emission will remain rare. Here, in this work, we explore postmerger detectability and inference through an alternative detector readout scheme for data dominated by quantum-noise, which is the case above 1 kHz; photon-counting. In such a readout, signals and noise become quantized into discrete distributions corresponding to the detection of single photons measured in a chosen basis of modes. Through simulated data, we demonstrate that photon counting can be efficient even for weak signals. We find ∼1 in 100 signals with a postmerger signal-to-noise ratio of 0.2 can result in a single photon and thus be detected. Furthermore, after 2 ×10 4 signals—equivalent to 10 −2 to 1.5 years of observation—photon counting results in a twofold improvement in the measurement of the radius of a 1.6⁢𝑀 ⊙ neutron star. Constraints can be further tightened if the detector classical noise is reduced. Photon counting offers a promising alternative to traditional homodyne readout techniques for extracting information from low signal-to-noise ratio postmerger signals.

gravitational wave detection↗