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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Two new methanol transitions in Orion A

Emission from the 11(1) - 10(2) (A-) and 5(0) - 4(1) (E) transitions of CH3OH at rest frequencies of 76,247.4 and 76,509.9 MHz, respectively, has been detected toward Orion A. The velocity widths of the two transitions are estimated to be approximately 3 km/s, which is consistent with other methanol lines in Orion. It is noted that the 117.5-kayser upper-state energy of the 11(1) - 10(2) (A-) transition is the highest yet reported for methanol in any source. The observed intensity is shown to be consistent with the 90-K thermal excitation model that seems to be appropriate for all other reported CH3OH lines in Orion A. Total column densities of 3 x 10 to the 16th per sq cm for the 11(1) - 10(2) (A-) transition and of 2 x 10 to the 16th per sq cm for the 5(0) - 4(1) (E) transition are calculated.

Jennings, D. E.↗
DOE OSTI2016

One-norm geometric quantum discord and critical point estimation in the XY spin chain

In contrast with entanglement and quantum discord (QD), we investigate the thermal quantum correlation in terms of Schatten one-norm geometric quantum discord (GQD) in the XY spin chain, and analyze their capabilities in detecting the critical point of quantum phase transition. We show that the one-norm GQD can reveal more properties about quantum correlation between two spins, especially for the long-range quantum correlation at finite temperature. Under the influences of site distance, anisotropy and temperature, one-norm GQD and its first derivative make it possible to detect the critical point efficiently for a general XY spin chain. - Highlights: • Comparing with entanglement and QD, one-norm GQD is more robust versus the temperature. • One-norm GQD is more efficient in characterization of long-range quantum correlation between two distant qubits. • One-norm GQD performs well in highlighting the critical point of QPT at zero or low finite temperature. • One-norm GQD has a number of advantages over QD in detecting the critical point of the spin chain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1979

Detection of HC/O-18//plus/ in Sagittarius B2

Line emission at 85.1 GHz attributed to the J equals 1-0 rotational transition of the formyl ion HC(O-18)(plus) has been detected in Sgr B2 (OH). The double isotopic ratio (O-16/O-18)/(C-12/C-13) in the formyl ion in Sgr B2 is estimated to be in the range 5-10, hence within a factor 2 of the terrestrial value of 5.5. This determination implies that the C-13/C-12 ratio near the galactic center does not differ greatly from that in local molecular clouds.

Guelin, M.↗
NASA NTRS2010

Automated Detection of Oscillating Regions in the Solar Atmosphere

Recently observed oscillations in the solar atmosphere have been interpreted and modeled as magnetohydrodynamic wave modes. This has allowed for the estimation of parameters that are otherwise hard to derive, such as the coronal magnetic-field strength. This work crucially relies on the initial detection of the oscillations, which is commonly done manually. The volume of Solar Dynamics Observatory (SDO) data will make manual detection inefficient for detecting all of the oscillating regions. An algorithm is presented that automates the detection of areas of the solar atmosphere that support spatially extended oscillations. The algorithm identifies areas in the solar atmosphere whose oscillation content is described by a single, dominant oscillation within a user-defined frequency range. The method is based on Bayesian spectral analysis of time series and image filtering. A Bayesian approach sidesteps the need for an a-priori noise estimate to calculate rejection criteria for the observed signal, and it also provides estimates of oscillation frequency, amplitude, and noise, and the error in all of these quantities, in a self-consistent way. The algorithm also introduces the notion of quality measures to those regions for which a positive detection is claimed, allowing for simple post-detection discrimination by the user. The algorithm is demonstrated on two Transition Region and Coronal Explorer (TRACE) datasets, and comments regarding its suitability for oscillation detection in SDO are made.

Ireland, J.↗
DOE OSTI2023

Microscopic Imaging Homogeneous and Single Phase Superfluid Density in $\mathrm{UTe_2}$

Odd-parity superconductor $\mathrm{UTe_2}$ shows spontaneous time-reversal symmetry breaking and multiple superconducting phases, which imply chiral superconductivity, but only in a subset of samples. Here, we microscopically observe a homogeneous superfluid density $n_s$ on the surface of $\mathrm{UTe_2}$ and an enhanced superconducting transition temperature near the edges. We also detect vortex-antivortex pairs even at zero magnetic field, indicating the existence of a hidden internal field. The temperature dependence of $n_s$, determined independent of sample geometry, does not support point nodes along the $b$ axis for a quasi-2D Fermi surface and provides no evidence for multiple phase transitions in $\mathrm{UTe_2}$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

bicep2/KECK ARRAY. IV. OPTICAL CHARACTERIZATION AND PERFORMANCE OF THE bicep2 AND KECK ARRAY EXPERIMENTS

bicep2 and the Keck Array are polarization-sensitive microwave telescopes that observe the cosmic microwave background (CMB) from the South Pole at degree angular scales in search of a signature of inflation imprinted as B-mode polarization in the CMB. bicep2 was deployed in late 2009, observed for three years until the end of 2012 at 150 GHz with 512 antenna-coupled transition edge sensor bolometers, and has reported a detection of B-mode polarization on degree angular scales. The Keck Array was first deployed in late 2010 and will observe through 2016 with five receivers at several frequencies (95, 150, and 220 GHz). bicep2 and the Keck Array share a common optical design and employ the field-proven bicep1 strategy of using small-aperture, cold, on-axis refractive optics, providing excellent control of systematics while maintaining a large field of view. This design allows for full characterization of far-field optical performance using microwave sources on the ground. Here we describe the optical design of both instruments and report a full characterization of the optical performance and beams of bicep2 and the Keck Array at 150 GHz.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

In-Situ Detection of Process-Induced Porosity During Cure of Out-of-Autoclave Composites

Composite materials offer unique benefits in aerospace applications and are becoming increasingly used by industry manufacturers. Current manufacturing and processing methods can lead to defects in the composites, which are identified after fabrication using inspection methods.This study utilized a high-temperature ultrasonic inspection system to detect process-induced porosity in an out-of-autoclave (OOA) composite panel. An ultrasonic scanner was enclosed in a nitrogen-cooled insulating box that prevented thermal damage from the industrial oven to the temperature-sensitive electronics. Inspection of the composite part was performed through the bottom of the enclosure, which served as the tool plate for the part. In this study, a porosity gradient was introduced through a misfit of the part and caul plate. Using the data obtained from B-scans and amplitude C-scans throughout the cure cycle, the high and low porosity regions within the composite laminate were detected and localized. OOA tests aided the transition of this system to an autoclave, which is the primary method of curing aerospace-grade thermoset composites.

In-process, Defect Detection, Cure Monitoring, Por↗
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 NTRS2010

Prospects for Habitable World Detections Using James Webb Space Telescope (JWST)

Doppler and transit surveys are finding extrasolar planets of ever smaller mass and radius, and are now sampling the domain of superEarths. Recent results from the Doppler surveys suggest that discovery of a transiting superEarth in the habitable zone of a lower main sequence star may be possible. We evaluate the prospects for an all-sky transit survey targeted to the brightest stars I that would find the most favorable cases for photometric and spectroscopic characterization using the James Webb Space Telescope. We use the proposed Transiting Exoplanet Survey Satellite (TESS) as representative of an all-sky survey. We couple the simulated TESS yield to a sensitivity model for the MIRI and NIRSpec instruments on JWST. Our sensitivity model includes all currently known and anticipated sources of random and systematic error for these instruments. We focus on the TESS planets with radii between Earth and Neptune. Our simulations consider secondary eclipse filter photometry using JWST/MIRI, comparing the 11- and 15- micron bands to measure carbon dioxide absorption in superEarths, as well as JWST!NIRSpec spectroscopy of water absorption from 1.7-3.0 microns, and carbon dioxide absorption at 4.3 microns. We find that JWST will be capable of characterizing dozens of TESS superEarths with temperatures above the habitable range, using both MIRI and NIRspec. We project that TESS will discover about eight nearby habitable transiting superEarths, all orbiting lower main sequence stars. The principal sources of uncertainty in the prospects for JWST characterization of habitable superEarths are superEarth frequency and the nature of superEarth atmospheres. Based on our estimates of these uncertainties, we project that JWST will be able to measure the temperature, and identify molecular absorptions (water, carbon dioxide) in one to four nearby habitable TESS superEarths orbiting lower main sequence stars.

Deming, Drake↗
DOE OSTI2025

Describing Point Defect Topology in 2D Energy Materials through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science.

2d materials↗
DOE OSTI2025

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. We employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science.

2D materials↗
DOE OSTI2026

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science. ML is often not just a matter of straightforward application, and pretrained models proved ineffective in this case. Instead, we trained our own neural network (NN) and applied data augmentation techniques and fine-tuning to the training dataset. Since labeled microscopy data is often scarce, we developed training data from a previously published wide-frame MXene image, using customized Gaussian fitting to locate atomic positions. Our trained model was then applied to a large dataset of experimental images, enabling a statistical study of defect configurations across three samples prepared with different HF etchant concentrations (5%, 9.1%, and 12.5%), as shown in Fig. 1. This also allowed us to investigate local strain around vacancies, though we find that we are limited by the precision of measurements using high-angle annular dark field (HAADF) images, as shown in Fig. 2. This study demonstrates how ML enables large-scale, quantitative analysis of atomic defects - an otherwise infeasible task with traditional methods. While our NN was specialized for Ti3C2 MXenes, the pipeline we developed provides a foundation for future ML models tailored to other materials. Ultimately, we envision embedding the NN onto the microscope to give real-time feedback to the user. To make this a reality, continued work is necessary to fully understand the NN's capabilities and limitations. This study gets one step closer to our goals of automated experimentation moving away from traditional methods of manual labeling. As ML capabilities advance, we hope to continue adapting and applying these techniques in microscopy.

2D materials↗
DOE OSTI2018

Detecting the permafrost carbon feedback: talik formation and increased cold-season respiration as precursors to sink-to-source transitions

Abstract. Thaw and release of permafrost carbon (C) due to climate change is likely to offset increased vegetation C uptake in northern high-latitude (NHL) terrestrial ecosystems. Models project that this permafrost C feedback may act as a slow leak, in which case detection and attribution of the feedback may be difficult. The formation of talik, a subsurface layer of perennially thawed soil, can accelerate permafrost degradation and soil respiration, ultimately shifting the C balance of permafrost-affected ecosystems from long-term C sinks to long-term C sources. It is imperative to understand and characterize mechanistic links between talik, permafrost thaw, and respiration of deep soil C to detect and quantify the permafrost C feedback. Here, we use the Community Land Model (CLM) version 4.5, a permafrost and biogeochemistry model, in comparison to long-term deep borehole data along North American and Siberian transects, to investigate thaw-driven C sources in NHL (> 55∘ N) from 2000 to 2300. Widespread talik at depth is projected across most of the NHL permafrost region (14 million km2) by 2300, 6.2 million km2 of which is projected to become a long-term C source, emitting 10 Pg C by 2100, 50 Pg C by 2200, and 120 Pg C by 2300, with few signs of slowing. Roughly half of the projected C source region is in predominantly warm sub-Arctic permafrost following talik onset. This region emits only 20 Pg C by 2300, but the CLM4.5 estimate may be biased low by not accounting for deep C in yedoma. Accelerated decomposition of deep soil C following talik onset shifts the ecosystem C balance away from surface dominant processes (photosynthesis and litter respiration), but sink-to-source transition dates are delayed by 20–200 years by high ecosystem productivity, such that talik peaks early (∼ 2050s, although borehole data suggest sooner) and C source transition peaks late (∼ 2150–2200). The remaining C source region in cold northern Arctic permafrost, which shifts to a net source early (late 21st century), emits 5 times more C (95 Pg C) by 2300, and prior to talik formation due to the high decomposition rates of shallow, young C in organic-rich soils coupled with low productivity. Our results provide important clues signaling imminent talik onset and C source transition, including (1) late cold-season (January–February) soil warming at depth (∼ 2 m), (2) increasing cold-season emissions (November–April), and (3) enhanced respiration of deep, old C in warm permafrost and young, shallow C in organic-rich cold permafrost soils. Our results suggest a mosaic of processes that govern carbon source-to-sink transitions at high latitudes and emphasize the urgency of monitoring soil thermal profiles, organic C age and content, cold-season CO2 emissions, and atmospheric 14CO2 as key indicators of the permafrost C feedback.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

Detection of the torsionally excited state of methanol in Orion A

Torsionally excited methanol has been detected in Orion A, where three emission lines observed in the region of 93-100 GHz coincide with laboratory measurements of three methanol transitions. Torsionally excited methanol may therefore be used as a novel temperature probe, since this state lies near 200 per cm above the ground state, or about 290 K. No emission was detected from the transition arising from levels near 300 per cm, or approximately 430 K above the ground state.

Lovas, F. J.↗
DOE OSTI2015

HIGH-RESOLUTION FOURIER-TRANSFORM MICROWAVE SPECTROSCOPY OF METHYL- AND DIMETHYLNAPTHALENES

High-resolution pure rotational spectra of four alkylnaphthalenes were measured in the range of 6–15 GHz using a molecular-beam Fourier-transform microwave spectrometer. Both a- and b-type transitions were observed for 1-methylnaphthalene (1-MN), 1,2-dimethylnaphthalene (1,2-DMN), and 1,3-dimethylnaphthalene (1,3-DMN); only a-type transitions were observed for 2-methylnaphthalene (2-MN). Geometry optimization and vibrational analysis calculations at the B3LYP/6-311++G(d,p) level of theory aided in the assignments of the spectra and the characterization of the structures. Differences between the experimental and predicted rotational constants are small, and they can be attributed in part to low-lying out-of-plane vibrations, which distort the alkylnaphthalenes out of their equilibrium geometries. Splittings of rotational lines due to methyl internal rotation were observed in the spectra of 2-MN, 1,2-DMN, and 1,3-DMN, and allowed for the determination of the barriers to methyl internal rotation, which are compared to values from density functional theory calculations. All four species are moderately polar, so they are candidate species for detection by radio astronomy, by targeting the transition frequencies reported here.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Infrared and far-infrared laser magnetic resonance spectroscopy of the GeH radical - Determination of ground state parameters

The GeH radical has been detected in its ground 2 Pi state in the gas phase reaction of fluorine atoms with GeH4 by laser magnetic resonance techniques. Rotational transitions within both 2 Pi 1/2 and 2 Pi 3/2 manifolds have been observed at far-infrared wavelengths and rotational transitions between the two fine structure components have been detected at infrared wavelengths (10 microns). Signals have been observed for all five naturally occurring isotopes of germanium. Nuclear hyperfine structure for H-1 and Ge-73 has also been observed. The data for the dominant isotope (/Ge-74/H) have been fitted to within experimental error by an effective Hamiltonian to give a set of molecular parameters for the X 2 Pi state which is very nearly complete. In addition, the dipole moment of GeH in its ground state has been estimated from the relative intensities of electric and magnetic dipole transitions in the 10 micron spectrum to be 1.24(+ or - 0.10) D.

Brown, J. M.↗
DOE OSTI2020

Revealing electronic state-switching at conical intersections in alkyl iodides by ultrafast XUV transient absorption spectroscopy

Conical intersections between electronic states often dictate the chemistry of photoexcited molecules. Recently developed sources of ultrashort extreme ultraviolet (XUV) pulses tuned to element-specific transitions in molecules allow for the unambiguous detection of electronic state-switching at a conical intersection. Here, the fragmentation of photoexcited iso-propyl iodide and tert-butyl iodide molecules (i-C 3 H 7 I and t-C 4 H 9 I) through a conical intersection between 3 Q 0 / 1 Q 1 spin-orbit states is revealed by ultrafast XUV transient absorption measuring iodine 4d core-to-valence transitions. The electronic state-sensitivity of the technique allows for a complete mapping of molecular dissociation from photoexcitation to photoproducts. In both molecules, the sub-100 fs transfer of a photoexcited wave packet from the 3 Q 0 state into the 1 Q 1 state at the conical intersection is captured. The results show how differences in the electronic state-switching of the wave packet in i-C 3 H 7 I and t-C 4 H 9 I directly lead to differences in the photoproduct branching ratio of the two systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

FRESIP: A Discovery Mission Concept To Find Earth-Sized Planets Around Solar Like Stars

The current nebular theory postulates that planets are. a consequence of the formation of stars from viscous accretion disks. Condensation from the accretion disk favors the formation of small rocky planets in the hot inner region, and the formation of gas giants in the cool outer region. Consequently, terrestrial-type planet in inner orbits should be commonplace. From geometrical considerations , Borucki and Summers have shown that 1% of planetary systems resembling our solar system should show transits for Earth-sized (or larger) planets. Thus a photometric satellite that uses a wide field of view telescope and a large detector array to simultaneously monitor 5000 target stars should detect 50 planetary systems. To differentiate regularly recurring transits from statistical fluctuations of the stellar flux, one must observe over several orbital periods so that the false positive rate can be reduced to one event or less. A one-meter aperture telescope placed in a halo orbit about either the L1 or L2 Lagrange points and viewing perpendicular to both the orbital and ecliptic planes can view continuously for the required period because neither the Sun, Earth, or Moon would enter the field of view. Model calculations show that the observations should provide statistically significant estimates of the distributions of planetary size, orbital radius, coplanarity, and the frequency of planetary systems that have Earth-sized planets in inner orbits. Because approximately one half of the star systems observed will be binary systems, the frequency of planetary systems orbiting either one or both of the stars can also be determined.

Borucki, William↗