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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The dependence of aluminum lattice orientation on semiconductor lattice parameter in planar InAs/Al hybrid heterostructures

We present a detailed study of 7-nm thick Al layers epitaxially grown on In x Al 1-x As or Al 1-x Ga x Sb y As 1-y (0 0 1) semiconductors using high-resolution transmission electron microscopy (HRTEM) and synchrotron X-ray diffraction (XRD). These techniques provide high spatial and high reciprocal space resolution information about Al lattice orientations and interfacial structure, highlighting the existence of a strong correlation between the surface lattice parameter of the semiconductor and the normal orientation of the aluminum film. The normal orientation of Al layers is found to be [1 1 1] when the in-plane semiconductor surface lattice parameter, a S , is smaller than 5.98 Å, and is [1 1 0] when aS is larger than this value. In the transition between these lattice parameters where one orientation is preferred, both orientations may be observed. Concomitant with the change in normal orientation is an inversion in the strain state of the aluminum film. When the normal orientation is [1 1 1], the Al film is compressively strained; while for [1 1 0] normal orientations, the Al in-plane strain is tensile. An energy balance model, accounting for surface, interfacial, side-face, and strain energy, and the registry of lattice planes across the semiconductor/aluminum interface provide explanations for the observed normal orientation and strain inversion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exotic Carbonate Mineralization Recovered from a Deep Basalt Carbon Storage Demonstration

Mitigating climate change require transformational advances for carbon dioxide removal, including geologic carbon sequestration in reactive subsurface environments. The Wallula Basalt Carbon Storage Pilot Project demonstrated that CO 2 injected into >800 m deep Columbia River Basalt Group flow top reservoirs mineralizes on month-year timescales. Herein, we present new optical petrography, micro-computed X-ray tomography, and electron microscopy results sidewall cores collected two years after CO 2 injection. As no other anthropogenic carbonates from geologic carbon storage field studies have been recovered, this world-unique sample suite provides unparalleled insight for subsurface carbon mineralization products and paragenesis. Chemically-zoned nodules with Ca/Mn-rich cores and Fe-dominant outer rims are prominent examples of the neoformed carbonate assemblages with ankerite-siderite compositions and exotic divalent cation correlations. Further, paragenetic insights for the timing of aragonite, silica, and fibrous zeolites are clarified based on mineral texture and spatial relationships, along with time-resolved downhole fluid sampling. Collectively, these results clarify the mineralogy, chemistry, and paragenesis of carbon mineralization, providing insight into the ultimate fate and transport of CO 2 in reactive mafic-ultramafic reservoirs

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Proton Diffusion in Liquid 1,2,3-Triazole Studied by Incoherent Quasi-Elastic Neutron Scattering

Improving the proton transport in polymer electrolytes impacts the performance of next-generation solid-state batteries. However, little is known about proton conductivity in nonaqueous systems due to the lack of an appropriate level of fundamental understanding. Here, we studied the proton transport in small molecules with dynamic hydrogen bonding, 1,2,3-triazole, as a model system of proton hopping in a nonaqueous environment using incoherent quasi-elastic neutron scattering. By using the jump-diffusion model, we identified the elementary jump-diffusion motion of protons at a much shorter length scale than those by nuclear magnetic resonance and impedance spectroscopy for the estimated long-range diffusion. In addition, a spatially restricted diffusive motion was observed, indicating that proton motion in 1,2,3-triazole is complex with various local correlated dynamics. In conclusion, these correlated dynamics will be important in elucidating the nature of the proton dynamics in nonaqueous systems.

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

Atomic-Scale Characterization and Electronic Properties of Gold-Capped Niobium Films for Superconducting Qubits

Niobium thin films are central to superconducting qubits, but their complex native oxides contribute significantly to microwave losses. A promising mitigation strategy is to suppress oxide formation using engineered thin-film encapsulation layers. Recent experiments have shown that ∼10 nm metallic overlayers on Nb capacitor films can improve the energy relaxation time T1 of transmon qubits. Here, we present a comparative study of Au-capped Nb films fabricated in situ by molecular beam epitaxy and ex situ by sequential deposition benchmarked against bare Nb films. Using complementary structural, chemical, and spectroscopic techniques, we correlate the interface quality with superconducting electronic properties of the Au surface. Low-temperature scanning tunneling spectroscopy (STS) provides spatially resolved quasiparticle density-of-states maps. While both Au-capped Nb samples exhibit large areas with uniform, fully gapped density of states, clear differences emerge between the two interfaces. Compared to in situ Nb-Au, ex situ Nb-Au exhibits a reduced induced superconducting gap, broadened coherence peak, and localized in-gap states, consistent with a residual NbxOy layer at the interface. Supported by complementary structural and chemical analyses, these findings demonstrate that STS directly links nanoscale superconducting properties to interface preparation, highlighting the importance of controlled in situ encapsulation for minimizing dissipation and improving quantum coherence.

Makita, Junki [MIT; Temple U.] (ORCID:000000026889↗
DOE OSTI2019

Investigating Microtopographic and Soil Controls on a Mountainous Meadow Plant Community Using High-Resolution Remote Sensing and Surface Geophysical Data

Our study aims to explore the microtopographic controls that dictate the heterogeneity of plant communities in a mountainous floodplain-hillslope system, using remote sensing and surface geophysical techniques. Working within a lower montane floodplain-hillslope study site (750 m × 750 m) in the Upper Colorado River Basin, we developed a new data fusion framework, based on machine learning and feature engineering, that exploits remote sensing optical and light detection and ranging (LiDAR) data to estimate the distribution of key plant meadow communities at submeter resolution. We collected surface electrical resistivity tomography data to explore the variability in soil properties along a floodplain-hillslope transect at 0.50-m resolution and extracted LiDAR-derived metrics to model the rapid change in microtopography. Furthermore, we investigated the covariability among the estimated plant community distributions, soil information, and topographic metrics. Results show that our framework estimated the distribution of nine plant communities with higher accuracy (87% versus 80% overall; 85% versus 60% for shrubs) compared to conventional classification approaches. Analysis of the covariabilities reveals a strong correlation between plant community distribution, soil electric conductivity, and slope, indicating that soil moisture is a primary control on heterogeneous spatial distribution. At the same time, microtopography plays an important role in creating particular ecosystem niches for some of the communities. Such relationships could be exploited to provide information about the spatial variability of soil properties. This highly transferable framework can be employed within long-term monitoring to capture community-specific physiological responses to perturbations, offering the possibility of bridging local plot-scale observations with large landscape monitoring.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Quantifying Seasonal and Diurnal Cycles of Solar‐Induced Fluorescence With a Novel Hyperspectral Imager

Abstract Solar‐induced fluorescence (SIF) is a proxy of ecosystem photosynthesis that often scales linearly with gross primary productivity (GPP) at the canopy scale. However, the mechanistic relationship between GPP and SIF is still uncertain, especially at smaller temporal and spatial scales. We deployed a ultra‐hyperspectral imager over two grassland sites in California throughout a soil moisture dry down. The imager has high spatial resolution that limits mixed pixels, enabling differentiation between plants and leaves within one scene. We find that imager SIF correlates well with diurnal changes in leaf‐level physiology and gross primary productivity under well‐watered conditions. These relationships deteriorate throughout the dry down event. Our results demonstrate an advancement in SIF imaging with new possibilities in remotely sensing plant canopies from the leaf to the ecosystem. These data can be used to resolve outstanding questions regarding SIF's meaning and usefulness in terrestrial ecosystem monitoring.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Programmable nanowrinkle-induced room-temperature exciton localization in monolayer WSe2

Abstract Localized states in two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of intense study, driven by potential applications in quantum information science. Despite the rapidly growing knowledge surrounding these emitters, their microscopic nature is still not fully understood, limiting their production and application. Motivated by this challenge, and by recent theoretical and experimental evidence showing that nanowrinkles generate strain-localized room-temperature emitters, we demonstrate a method to intentionally induce wrinkles with collections of stressors, showing that long-range wrinkle direction and position are controllable with patterned array design. Nano-photoluminescence (nano-PL) imaging combined with detailed strain modeling based on measured wrinkle topography establishes a correlation between wrinkle properties, particularly shear strain, and localized exciton emission. Beyond the array-induced wrinkles, nano-PL spatial maps further reveal that the strain environment around individual stressors is heterogeneous due to the presence of fine wrinkles that are less deterministic. At cryogenic temperatures, antibunched emission is observed, confirming that the nanocone-induced strain is sufficiently large for the formation of quantum emitters. At 300 K, detailed nanoscale hyperspectral images uncover a wide range of low-energy emission peaks originating from the fine wrinkles, and show that the states can be tightly confined to regions <10 nm, even in ambient conditions. These results establish a promising potential route towards realizing room temperature quantum emission in 2D TMDC systems.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Origin of magnetic switching field distribution in bit patterned media based on pre-patterned substrates

Using a combination of synchrotron radiation based magnetic imaging and high-resolution transmission electron microscopy we reveal systematic correlations between the magnetic switching field and the internal nanoscale structure of individual islands in bit patterned media fabricated by Co/Pd-multilayer deposition onto pre-patterned substrates. We find that misaligned grains at the island periphery are a common feature independent of the island switching field, while irregular island shapes and misaligned grains specifically extending into the center of an island are systematically correlated with a reduced island reversal field.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Near- and far-field measurements of phase-ramped frequency selective surfaces at infrared wavelengths

Near- and far-field measurements of phase-ramped loop and patch structures are presented and compared to simulations. The far-field deflection measurements show that the phase-ramped structures can deflect a beam away from specular reflection, consistent with simulations. Scattering scanning near-field optical microscopy of the elements comprising the phase ramped structures reveals part of the underlying near-field phase contribution that dictates the far-field deflection, which correlates with the far-field phase behavior that was expected. These measurements provide insight into the resonances, coupling, and spatial phase variation among phase-ramped frequency selective surface (FSS) elements, which are important for the performance of FSS reflectarrays.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

SPATIALLY RESOLVED CHEMISTRY IN NEARBY GALAXIES. II. THE NUCLEAR BAR IN MAFFEI 2

We present 2''-10'' imaging of 11 transitions from 9 molecular species across the nuclear bar in Maffei 2. The data were obtained with the BIMA and OVRO interferometers. The 10 detected transitions are compared with existing CO isotopologues, HCN, CS, and millimeter continuum data. Dramatic spatial variations among the mapped species are observed across the nuclear bar. A principal component analysis is performed to characterize correlations between the transitions, star formation, and molecular column density. The analysis reveals that HCN, HNC, HCO{sup +}, and 3 mm continuum are tightly correlated, indicating a direct connection to massive star formation. We find two main morphologically distinct chemical groups, CH{sub 3}OH, SiO, and HNCO comprising the grain chemistry molecules, versus HCN, HNC, HCO{sup +}, and C{sub 2}H, molecules strong in the presence of star formation. The grain chemistry molecules, HNCO, CH{sub 3}OH, and SiO, trace hydrodynamical bar shocks. The near constancy of the HNCO/CH{sub 3}OH, SiO/CH{sub 3}OH, and SiO/HNCO ratios argues that shock properties are uniform across the nucleus. HCN/HCO{sup +}, HCN/HNC, HCN/CS, and HCN/CO ratios are explained primarily by variations in density. High HCO{sup +}/N{sub 2}H{sup +} ratios are correlated with the C{sub 2}H line, suggesting that this ratio may be a powerful new dense photon-dominated region probe in external galaxies. C{sub 2}H reveals a molecular outflow along the minor axis. The morphology and kinematics of the outflow are consistent with an outflow age of 6-7 Myr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A MeerKAT-meets-LOFAR study of Abell 1413: a moderately disturbed non-cool-core cluster hosting a ~500 kpc ‘mini’-halo

Many relaxed cool-core clusters host diffuse radio emission on scales of hundreds of kiloparsecs: mini-haloes. However, the mechanism responsible for generating them, as well as their connection with central active galactic nuclei, is elusive and many questions related to their physical properties and origins remain unanswered. This paper presents new radio observations of the galaxy cluster Abell 1413 performed with MeerKAT (L-band; 872 to 1712 MHz) and LOFAR HBA (120 to 168 MHz) as part of a statistical and homogeneous census of mini-haloes. Abell 1413 is unique among mini-halo clusters as it is a moderately disturbed non-cool-core cluster. Our study reveals an asymmetric mini-halo up to 584 kpc in size at 1283 MHz, twice as large as first reported at similar frequencies. The spectral index is flatter than previously reported, with an integrated value of α = −1.01 ± 0.06, shows significant spatial variation, and a tentative radial steepening. We studied the point-to-point X-ray/radio surface brightness correlation to investigate the thermal/non-thermal connection: our results show a strong connection between these components, with a superlinear slope of $b = 1.63^{+0.10}_{-0.10}$ at 1283 MHz and $b = 1.20^{+0.13}_{-0.11}$ at 145 MHz. We also explore the X-ray surface brightness/radio spectral index correlation, finding a slope of $b = 0.59^{+0.11}_{-0.11}$. Both investigations support the evidence of spectral steepening. Finally, in the context of understanding the particle acceleration mechanism, we present a simple theoretical model which demonstrates that hybrid scenarios – secondary electrons (re-)accelerated by turbulence – reproduce a superlinear correlation slope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Role of short- and long-range ordering on diffusion in Ni-Al alloys

The varying degrees of short- and long-range order exhibited by multicomponent solids complicates a first-principles calculation of nondilute diffusion coefficients. Temporal and spatial variations in the local degree of order affect the migration barriers of individual hops and can result in strong correlations between successive hops that ultimately affect macroscopic transport coefficients. Here we report on a first-principles study of diffusion in Ni-rich Ni-Al alloys. We used cluster expansion Hamiltonians to describe the energies of the end states and migration barriers of each hop. Kinetic Monte Carlo simulations were performed to calculate macroscopic transport coefficients. Variations in the degree of ordering are shown to play a significant role in affecting diffusion coefficients. While Al has a higher mobility than Ni in the disordered Ni-rich fcc solid solution, it becomes significantly less mobile in the ordered L1 2 γ' phase due to strong thermodynamic tendencies that keep Al trapped to disconnected sublattice sites.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Velocity Profiling of Multiphase Flows Using Capacitive Sensor Sensitivity Gradient

Velocity profiling of a flow involves the task of determining the velocity vector at every point in a given flow volume. A new method is proposed for velocity profiling of multiphase flows based on electrical capacitance volume tomography (ECVT) sensors. The proposed method utilizes a mapping between the change in measured capacitances and the displacement of flow that is effected by the spatial gradient of the sensitivity distribution. Here, this novel mapping not only avoids the need for costly image cross-correlations but also is fully compatible with existing ECVT sensor and image reconstruction algorithms. Simulation and measurement results are provided to demonstrate the proposed method.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Two-photon X-ray ghost microscope

This article presents a non-classical imaging mechanism that produces a diffraction-limited and magnified ghost image of the internal structure of an object through the measurement of intensity fluctuation correlation formed by two-photon interference. In principle, the lensless X-ray ghost imaging mechanism may achieve a spatial resolution determined by the wavelength and the angular diameter of the X-ray source, ∼ λ /Δ θ s , with possible reduction caused by additional optics. In addition, it has the ability to image select “slices” deep within an object, which can be used for constructing 3D view of its internal structure.

Smith, Thomas A. (ORCID:0000000275427047)↗
DOE OSTI2020

Characterizing Ocean Acidification and Atmospheric Emission caused by Methane Released from Gas Hydrate Systems along the US Atlantic Margin (Final Report)

To assess the environmental impact of decomposing gas hydrates, this project characterized the atmospheric emission and ocean acidification associated with seafloor-released methane along the U.S. Atlantic Margin. This project leveraged the newly discovered seafloor seeps in this region, many of which are located near the landward limit of gas hydrate stability, to investigate the fate and environmental impact of methane once released from the seafloor. Several research directions were pursued during these investigations. First, high-spatial resolution surface surveys were conducted to characterize the degree to which sea-to-air emission of methane is correlated with acoustically detected seafloor bubble emissions. Second, the natural isotopic signatures of both radiocarbon and δ 13 C were measured throughout the water column to observe if seafloor-released methane was detected in surface waters or if it was replaced by a different source. Third, the extent of methane oxidation in the water column was constrained to assess the ability of this process to mitigate atmospheric methane emissions. Fourth, since aerobic methane oxidation ultimately converts methane to carbon dioxide, the extent of ocean acidification relating to this process was assessed. Ultimately, this project was conducted in four stages. Stage one involved preparations for the research expedition along the U.S. Atlantic Margin. This involved calibrating, modifying, and validating equipment needed for sample and data collection in this unique environment. Stage two involved executing the at-sea science. This research was conducted from 25 August to 5 September 2017 on the R/V Hugh R. Sharp. This expedition left from Lewes, Delaware and investigated the continental slope from approximately this latitude down to Cape Hatteras, North Carolina. Third, any samples unanalyzed on the research vessel were returned to the laboratory and measured. Fourth, the data were interpreted, and publications and presentations were prepared.

03 NATURAL GAS↗
DOE OSTI2025

Diversity in the Common Fold: Structural Insights into Class D β-Lactamases from Gram-Negative Pathogens

Class D β-lactamases (DBLs) represent a major threat to antibiotic efficacy by hydrolyzing β-lactam drugs, including last-resort carbapenems, thereby driving antimicrobial resistance in Gram-negative bacteria. The enzymes share a structurally conserved two-domain α/β architecture with seven active-site motifs and three flexible extended loops (the P-loop, Ω-loop, and newly designated B-loop) that surround the active site. While each of these loops is known to influence enzyme function, their coordinated roles have not been fully elucidated. To investigate the significance of their interplay, we compared the sequences and crystal structures of 40 DBLs from clinically relevant Gram-negative pathogens and performed molecular dynamics simulations on selected representatives. Combined structural and dynamical analyses revealed a strong correlation between B-loop architecture and carbapenemase activity in the pathogens Klebsiella and Acinetobacter, particularly regarding loop length and spatial organization. These findings emphasize the B-loop’s critical contribution, in concert with the P- and Ω-loops, in tuning active site versatility, substrate recognition, catalytic activity, and structural stability. A deeper understanding of how these motifs and loops govern DBL function may inform the development of novel antibiotics and inhibitors targeting this class of enzymes.

antibiotic resistance↗
DOE OSTI2015

The terminator "toy" chemistry test: A simple tool to assess errors in transport schemes

This test extends the evaluation of transport schemes from prescribed advection of inert scalars to reactive species. The test consists of transporting two interacting chemical species in the Nair and Lauritzen 2-D idealized flow field. The sources and sinks for these two species are given by a simple, but non-linear, "toy" chemistry that represents combination (X+X → X 2 ) and dissociation (X 2 → X+X). This chemistry mimics photolysis-driven conditions near the solar terminator, where strong gradients in the spatial distribution of the species develop near its edge. Despite the large spatial variations in each species, the weighted sum X T = X+2X 2 should always be preserved at spatial scales at which molecular diffusion is excluded. The terminator test demonstrates how well the advection–transport scheme preserves linear correlations. Chemistry–transport (physics–dynamics) coupling can also be studied with this test. Examples of the consequences of this test are shown for illustration.

58 GEOSCIENCES↗
DOE OSTI2011

Probing Quark-Gluon Structure of Matter with e-p and e-A Reactions

Understanding the strong interaction (QCD) in the truly strong ('non-perturbative') region remains a major challenge in modern physics. Nucleon and nuclei provide natural laboratories to study the strong interaction. The quark-gluon structure of the nucleon and nuclei are important by themselves since they are the main (>99%) part of the visible world. With electroweak interaction well-understood, e-p and e-A are clean means to probe the nucleon and nuclear structure and to study the strong interaction (QCD). Inclusive Deep-Inelastic Scattering (DIS) experiments have provided us with the most extensive information on the unpolarized and longitudinally-polarized parton (quark and gluon) distributions (PDFs). It has becoming clear that transverse spin and transverse structure (both transverse spatial structure via generalized parton distributions (GPDs) and transverse momentum structure via transverse- momentum-dependent distributions (TMDs)) study are crucial for a more complete understanding of the nucleon structure and the dynamics of the strong interaction(QCD). The transverse spin, GPDs and TMDs have been the subjects of increasingly intense theoretical and experimental study recently. With 12 GeV energy upgrade, Jefferson Lab (JLab) will provide the most precise multi-dimensional map of the TMDs and GPDs in the valence quark region through Semi-Inclusive DIS (SIDIS) and Deep-Exclusive experiments, providing a 3-d partonic picture of the nucleon in momentum and spatial spaces. The precision information on TMDs and GPDs will provide access to the quark orbital angular momentum and its correlation with the quark and the nucleon spins. The planned future Electron-Ion Collider (EIC) will enable a precision study of the TMDs and GPDs of the sea quarks and gluons, in addition to completing the study in the valence region. The EIC will also open a new window to study the role of gluons in nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗