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DOE OSTI2022

Development of an operando characterization stage for multi-modal synchrotron x-ray experiments

It is widely accepted that micro- and nanoscale inhomogeneities govern the performance of many thin-film solar cell absorbers. These inhomogeneities yield material properties (e.g., composition, structure, and charge collection) that are challenging to correlate across length scales and measurement modalities. The challenge is compounded if a correlation is sought during device operation or in conditions that mimic aging under particular stressors (e.g., heat and electrical bias). Correlative approaches, particularly those based on synchrotron x-ray sources, are powerful since they can access several material properties in different modes (e.g., fluorescence, diffraction, and absorption) with minimal sample preparation. Small-scale laboratory x-ray instruments have begun to offer multi-modality but are typically limited by low x-ray photon flux, low spatial resolution, or specific sample sizes. To overcome these limitations, a characterization stage was developed to enable multi-scale, multi-modal operando measurements of industrially relevant photovoltaic devices. The stage offers compatibility across synchrotron x-ray facilities, enabling correlation between nanoscale x-ray fluorescence microscopy, microscale x-ray diffraction microscopy, and x-ray beam induced current microscopy, among others. Furthermore, the stage can accommodate device sizes up to 25 × 25 mm 2 , offering access to multiple regions of interest and increasing the statistical significance of correlated properties. The stage materials can sustain humid and non-oxidizing atmospheres, and temperature ranges encountered by photovoltaic devices in operational environments (e.g., from 25 to 100 °C). As a case study, we discuss the functionality of the stage by studying Se-alloyed CdTe photovoltaic devices aged in the stage between 25 and 100 °C.

14 SOLAR ENERGY↗

DOE OSTI2016

Threshold magnitudes for a multichannel correlation detector in background seismicity

Colocated explosive sources often produce correlated seismic waveforms. Multichannel correlation detectors identify these signals by scanning template waveforms recorded from known reference events against "target" data to find similar waveforms. This screening problem is challenged at thresholds required to monitor smaller explosions, often because non-target signals falsely trigger such detectors. Therefore, it is generally unclear what thresholds will reliably identify a target explosion while screening non-target background seismicity. Here, we estimate threshold magnitudes for hypothetical explosions located at the North Korean nuclear test site over six months of 2010, by processing International Monitoring System (IMS) array data with a multichannel waveform correlation detector. Our method (1) accounts for low amplitude background seismicity that falsely triggers correlation detectors but is unidentifiable with conventional power beams, (2) adapts to diurnally variable noise levels and (3) uses source-receiver reciprocity concepts to estimate thresholds for explosions spatially separated from the template source. Furthermore, we find that underground explosions with body wave magnitudes m b = 1.66 are detectable at the IMS array USRK with probability 0.99, when using template waveforms consisting only of P -waves, without false alarms. We conservatively find that these thresholds also increase by up to a magnitude unit for sources located 4 km or more from the Feb.12, 2013 announced nuclear test.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Effects of threading dislocations on drain current dispersion and slow transients in unpassivated AlGaN/GaN/Si heterostructure field-effect transistors

Current transient analysis combined with response to pulsed bias drives have been used to explore the possibilities of threading dislocations affecting the current dispersion characteristics of AlGaN/GaN heterostructure field-effect transistors (HFETs). A growth strategy is developed to modulate the dislocation density among the heterostructures grown on silicon by plasma-assisted molecular-beam epitaxy. Slow pulsed I-V measurements show severe compressions and appear to be significantly dependent on the threading dislocation density. By analyzing the corresponding slow detrapping process, a deep-level trap with emission time constant in the order of seconds was identified as the cause. Among the specimens, both in the epilayers and at the surface, the number of dislocations was found to have a notable influence on the spatial distribution of deep-level trap density. The observations confirm that the commonly observed degraded frequency performance among AlGaN/GaN HFETs in the form of DC-radio frequency dispersions can at least partly be correlated with threading dislocation density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Current Density Regulated Atomic to Nanoscale Process on Li Deposition and Solid Electrolyte Interphase Revealed by Cryogenic Transmission Electron Microscopy

Current density has been perceived to play a critical rule for controlling Li deposition morphology and solid electrolyte interphase (SEI). However, the atomic level mechanism of current density on Li deposition and the SEI remains unclear. In this work, based on cryogenic transmission electron microscopy imaging combined with energy dispersive X-ray spectroscopy and electron energy loss spectroscopy electronic structure analyses, we reveal the atomic level correlation of Li deposition morphology and SEI with current density. We discover that increasing current density leads to increased overpotential for Li nucleation and growth, leading to the transition from growth-limited to nucleation-limited mode for Li dendrite. Independence of current density, the electrochemically deposited Li metal (EDLi) exhibits crystalline whisker-like morphology. The SEI formed at low current density (0.1 mA cm -2 ) is monolithic amorphous; while, a current density of above 2 mA cm -2 leads to a mosaic structured SEI, featuring an amorphous matrix with Li 2 O and LiF dispersoids, and the thickness of the SEI increases with the increase of current density. Uniquely, the Li 2 O particles is spatially located at the top surface of the SEI, while LiF is spatially adjacent to the Li-SEI interface. These results highlight the possible tuning of crucial structural and chemical features of EDLi and SEI through altering deposit conditions and consequently direct correlation with electrochemical performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Chandra Survey of Nearby Galaxies: The Catalog

We searched the public archive of the Chandra X-ray Observatory as of 2016 March and assembled a sample of 719 galaxies within 50 Mpc with available Advanced CCD Imaging Spectrometer observations. By cross-correlation with the optical or near-infrared nuclei of these galaxies, 314 of them are identified to have an X-ray active galactic nucleus (AGN). The majority of them are low-luminosity AGNs and are unlikely X-ray binaries based upon their spatial distribution and luminosity functions. The AGN fraction is around 60% for elliptical galaxies and early-type spirals, but drops to roughly 20% for Sc and later types, consistent with previous findings in the optical. However, the X-ray survey is more powerful in finding weak AGNs, especially from regions with active star formation that may mask the optical AGN signature. For example, 31% of the H ii nuclei are found to harbor an X-ray AGN. For most objects, a single power-law model subject to interstellar absorption is adequate to fit the spectrum, and the typical photon index is found to be around 1.8. For galaxies with a non-detection, their stacked Chandra image shows an X-ray excess with a luminosity of a few times 10{sup 37} erg s{sup −1} on average around the nuclear region, possibly composed of faint X-ray binaries. This paper reports on the technique and results of the survey; in-depth analysis and discussion of the results will be reported in forthcoming papers.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

Copper-64-diacetyl-bis(N(4)-methylthiosemicarbazone) Pharmacokinetics in FaDu Xenograft Tumors and Correlation With Microscopic Markers of Hypoxia

Purpose: The behavior of copper-64-diacetyl-bis(N(4)-methylthiosemicarbazone) ({sup 64}Cu-ATSM) in hypoxic tumors was examined through a combination of in vivo dynamic positron emission tomography (PET) and ex vivo autoradiographic and histologic evaluation using a xenograft model of head-and-neck squamous cell carcinoma. Methods and Materials: {sup 64}Cu-ATSM was administered during dynamic PET imaging, and temporal changes in {sup 64}Cu-ATSM distribution within tumors were evaluated for at least 1 hour and up to 18 hours. Animals were sacrificed at either 1 hour (cohort A) or after 18 hours (cohort B) postinjection of radiotracer and autoradiography performed. Ex vivo analysis of microenvironment subregions was conducted by immunohistochemical staining for markers of hypoxia (pimonidazole hydrochloride) and blood flow (Hoechst-33342). Results: Kinetic analysis revealed rapid uptake of radiotracer by tumors. The net influx (K{sub i}) constant was 12-fold that of muscle, whereas the distribution volume (V{sub d}) was 5-fold. PET images showed large tumor-to-muscle ratios, which continually increased over the entire 18-hour course of imaging. However, no spatial changes in {sup 64}Cu-ATSM distribution occurred in PET imaging at 20 minutes postinjection. Microscopic intratumoral distribution of {sup 64}Cu-ATSM and pimonidazole were not correlated at 1 hour or after 18 hours postinjection, nor was {sup 64}Cu-ATSM and Hoechst-33342. Conclusions: The oxygen partial pressures at which {sup 64}Cu-ATSM and pimonidazole are reduced and bound in cells are theorized to be distinct and separable. However, this study demonstrated that microscopic distributions of these tracers within tumors are independent. Researchers have shown {sup 64}Cu-ATSM uptake to be specific to malignant expression, and this work has also demonstrated clear tumor targeting by the radiotracer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2017

The Grism Lens-Amplified Survey from Space (GLASS). X. Sub-kiloparsec Resolution Gas-phase Metallicity Maps at Cosmic Noon behind the Hubble Frontier Fields Cluster MACS1149.6+2223

We combine deep Hubble Space Telescope grism spectroscopy with a new Bayesian method to derive maps of gas-phase metallicity for 10 star-forming galaxies at high redshift (1.2≲z≲2.3). Exploiting lensing magnification by the foreground cluster MACS1149.6+2223, we reach sub-kiloparsec spatial resolution and push the limit of stellar mass associated with such high-z spatially resolved measurements below 10{sup 8} M{sub ⊙} for the first time. Our maps exhibit diverse morphologies, indicative of various effects such as efficient radial mixing from tidal torques, rapid accretion of low-metallicity gas, and other physical processes that can affect the gas and metallicity distributions in individual galaxies. Based upon an exhaustive sample of all existing sub-kiloparesec resolution metallicity gradient measurements at high z, we find that predictions given by analytical chemical evolution models assuming a relatively extended star-formation profile in the early disk-formation phase can explain the majority of observed metallicity gradients, without involving galactic feedback or radial outflows. We observe a tentative correlation between stellar mass and metallicity gradients, consistent with the “downsizing” galaxy formation picture that more massive galaxies are more evolved into a later phase of disk growth, where they experience more coherent mass assembly at all radii and thus show shallower metallicity gradients. In addition to the spatially resolved analysis, we compile a sample of homogeneously cross-calibrated integrated metallicity measurements spanning three orders of magnitude in stellar mass at z ∼ 1.8. We use this sample to study the mass–metallicity relation (MZR) and find that the slope of the observed MZR can rule out the momentum-driven wind model at a 3σ confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

FERMI LARGE AREA TELESCOPE DETECTION OF GRAVITATIONAL LENS DELAYED γ-RAY FLARES FROM BLAZAR B0218+357

Using data from the Fermi Large Area Telescope (LAT), we report the first clear γ-ray measurement of a delay between flares from the gravitationally lensed images of a blazar. The delay was detected in B0218+357, a known double-image lensed system, during a period of enhanced γ-ray activity with peak fluxes consistently observed to reach >20-50 × its previous average flux. An auto-correlation function analysis identified a delay in the γ-ray data of 11.46 ± 0.16 days (1σ) that is ∼1 day greater than previous radio measurements. Considering that it is beyond the capabilities of the LAT to spatially resolve the two images, we nevertheless decomposed individual sequences of superposing γ-ray flares/delayed emissions. In three such ∼8-10 day-long sequences within a ∼4 month span, considering confusion due to overlapping flaring emission and flux measurement uncertainties, we found flux ratios consistent with ∼1, thus systematically smaller than those from radio observations. During the first, best-defined flare, the delayed emission was detailed with a Fermi pointing, and we observed flux doubling timescales of ∼3-6 hr implying as well extremely compact γ-ray emitting regions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Spatially Dependent Seismic Wavefield Scattering from an Underground Chemical Explosion: Analysis of the Source Physics Experiment Dry Alluvium Geology Large- N Array

Explosion sources have been observed to generate significant shear‐wave energy despite their isotropic nature. To investigate this phenomenon, we conduct an analysis of the seismic data collected as part of the Source Physics Experiment (SPE): Dry Alluvium Geology (DAG) and investigate the generation of shear‐wave energy via scattering. The data were produced by three underground chemical explosions and consist of three‐component seismograms, which were recorded by the DAG Large‐N array. Synthetic tests suggest that for the DAG experiments, small‐scale stochastic heterogeneities, defined as features with correlation lengths of 10–100s of meters, are more effective than large‐scale geologic structure (scales >1–10 km) at reproducing the scattering of explosion generated wavefields observed at DAG. We analyze the seismic data for spatially variable ratios between transversely and radially polarized seismic energy, and then estimate the mean free path of P and S waves. All analyses are conducted within a frequency band of 5–50 Hz. The ratio of transversely to radially polarized energy is the highest in the east and west portion of the Large‐N array. In addition, the magnitude of the estimated S‐wave mean free path is shorter in the eastern portion of the Large‐N array. This variation indicates that the eastern area of the DAG array is where more scattering is occurring, suggesting azimuthal dependence of P‐to‐P and P‐to‐S scattering. Furthermore, this azimuthal dependence of P‐to‐S scattering can have implications for explosion discrimination based on spectral ratios of seismic wave types, because the general assumption is that explosions do not generate shear‐wave energy. Synthetic tests modeling only larger‐scale geologic structure had lower transversely polarized energy (only four stations showing a transversely to radially polarized energy ratio greater than 1) and fewer stations (<10) displaying shorter (<300 m) mean free paths than what was observed in the DAG data results.

Darrh, Andréa Nicole↗

DOE OSTI2024

Angular correlations of cosmic microwave background spectrum distortions from photon diffusion

ABSTRACT During cosmic recombination, charged particles bind into neutral atoms and the mean free path of photons rapidly increases, resulting in the familiar diffusion damping of primordial radiation temperature variations. An additional effect is a small photon spectrum distortion, because photons arriving from a particular sky direction were originally in thermal equilibrium at various spatial locations with different temperatures; the combination of these different blackbody temperature distributions results in a spectrum with a Compton y-distortion. Using the approximation that photons had zero mean free path prior to their second-to-last scattering, we derive an expression for the resulting y-distortion, and compute the angular correlation function of the diffusion y-distortion and its cross-correlation with the square of the photon temperature fluctuation. Detection of the cross-correlation is within reach of existing arcminute-resolution microwave background experiments such as the Atacama Cosmology Telescope and the South Pole Telescope.

Astronomy & Astrophysics↗

DOE OSTI2023

Generating high-resolution total canopy SIF emission from TROPOMI data: Algorithm and application

Solar-induced chlorophyll fluorescence (SIF) is a rapidly advancing front in modeling global terrestrial gross primary production (GPP). Canopy total SIF emissions (SIF total ) are mechanistically linked to the plant photosynthesis, and can be estimated from satellite observed SIF (SIF obs ) through radiative transfer modeling. However, the current satellite SIF obs and thus SIF total are available only at coarse spatial resolutions from several kilometers to tens of kilometers, inhibiting the application at fine spatial scales. Here, in this work, we proposed an algorithm to generate both global high-resolution SIF total (HSIF total ) and high-resolution SIF obs (HSIF obs ) at 1 km from low-resolution SIF obs (LSIF obs ) from the TROPOspheric Monitoring Instrument (TROPOMI), which has a spatial resolution at nadir of 3.5 km by 5.6–7 km. Our statistical method is based on the law of energy conservation and uses satellite derived fraction of absorbed photosynthetically active radiation, fluorescence efficiency, and the escape probability of fluorescence. We evaluated the accuracy of our HSIF total using the Orbiting Carbon Observatory-2 SIF (R 2 = 0.78). We found that the spatial resolution had clear effects on the relationship between HSIF total and GPP. We also compared HSIF total to 8-day averaged tower GPP from 135 flux sites and found that they were better correlated when HSIF total was averaged over a 1-km radius around the tower than when averaged over a larger radius. Our study provided a unique high-resolution HSIF total product, which will advance the estimation of GPP by extrapolating site-level relationships to the global scale.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Seasonal and interannual variability in wetland methane emissions simulated by CLM4Me' and CAM-chem and comparisons to observations of concentrations

Understanding the temporal and spatial variation of wetland methane emissions is essential to the estimation of the global methane budget. Our goal for this study is three-fold: (i) to evaluate the wetland methane fluxes simulated in two versions of the Community Land Model, the Carbon-Nitrogen (CN; i.e., CLM4.0) and the Biogeochemistry (BGC; i.e., CLM4.5) versions using the methane emission model CLM4Me' so as to determine the sensitivity of the emissions to the underlying carbon model; (ii) to compare the simulated atmospheric methane concentrations to observations, including latitudinal gradients and interannual variability so as to determine the extent to which the atmospheric observations constrain the emissions; (iii) to understand the drivers of seasonal and interannual variability in atmospheric methane concentrations. Simulations of the transport and removal of methane use the Community Atmosphere Model with chemistry (CAM-chem) model in conjunction with CLM4Me' methane emissions from both CN and BGC simulations and other methane emission sources from literature. In each case we compare model-simulated atmospheric methane concentration with observations. In addition, we simulate the atmospheric concentrations based on the TransCom wetland and rice paddy emissions derived from a different terrestrial ecosystem model, Vegetation Integrative Simulator for Trace gases (VISIT). Our analysis indicates CN wetland methane emissions are higher in the tropics and lower at high latitudes than emissions from BGC. In CN, methane emissions decrease from 1993 to 2004 while this trend does not appear in the BGC version. In the CN version, methane emission variations follow satellite-derived inundation wetlands closely. However, they are dissimilar in BGC due to its different carbon cycle. CAM-chem simulations with CLM4Me' methane emissions suggest that both prescribed anthropogenic and predicted wetlands methane emissions contribute substantially to seasonal and interannual variability in atmospheric methane concentration. Simulated atmospheric CH 4 concentrations in CAM-chem are highly correlated with observations at most of the 14 measurement stations evaluated with an average correlation between 0.71 and 0.80 depending on the simulation (for the period of 1993–2004 for most stations based on data availability). Our results suggest that different spatial patterns of wetland emissions can have significant impacts on Northern and Southern hemisphere (N–S) atmospheric CH 4 concentration gradients and growth rates. In conclusion, this study suggests that both anthropogenic and wetland emissions have significant contributions to seasonal and interannual variations in atmospheric CH 4 concentrations. However, our analysis also indicates the existence of large uncertainties in terms of spatial patterns and magnitude of global wetland methane budgets, and that substantial uncertainty comes from the carbon model underlying the methane flux modules.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Future of Electron Scattering and Diffraction

The ability to correlate the atomic- and nanoscale-structure of condensed matter with physical properties (e.g., mechanical, electrical, catalytic, and optical) and functionality forms the core of many disciplines. Directing and controlling materials at the quantum-, atomic-, and molecular-levels creates enormous challenges and opportunities across a wide spectrum of critical technologies, including those involving the generation and use of energy. The workshop identified next generation electron scattering and diffraction instruments that are uniquely positioned to address these grand challenges. The workshop participants identified four key areas where the next generation of such instrumentation would have major impact: A – Multidimensional Visualization of Real Materials B – Atomic-scale Molecular Processes C – Photonic Control of Emergence in Quantum Materials D – Evolving Interfaces, Nucleation, and Mass Transport Real materials are comprised of complex three-dimensional arrangements of atoms and defects that directly determine their potential for energy applications. Understanding real materials requires new capabilities for three-dimensional atomic scale tomography and spectroscopy of atomic and electronic structures with unprecedented sensitivity, and with simultaneous spatial and energy resolution. Many molecules are able to selectively and efficiently convert sunlight into other forms of energy, like heat and electric current, or store it in altered chemical bonds. Understanding and controlling such process at the atomic scale require unprecedented time resolution. One of the grand challenges in condensed matter physics is to understand, and ultimately control, emergent phenomena in novel quantum materials that necessitate developing a new generation of instruments that probe the interplay among spin, charge, orbital, and lattice degrees of freedom with intrinsic time- and length-scale resolutions. Molecules and soft matter require imaging and spectroscopy with high spatial resolution without damaging their structure. The strong interaction of electrons with matter allows high-energy electron pulses to gather structural information before a sample is damaged. Electron ScatteringImaging, diffraction, and spectroscopy are the fundamental capabilities of electron-scattering instruments. The DOE BES-funded TEAM (Transmission Electron Aberration-corrected Microscope) project achieved unprecedented sub-atomic spatial resolution in imaging through aberration-corrected transmission electron microscopy. To further advance electron scattering techniques that directly enable groundbreaking science, instrumentation must advance beyond traditional two-dimensional imaging. Advances in temporal resolution, recording the full phase and energy spaces, and improved spatial resolution constitute a new frontier in electron microscopy, and will directly address the BES Grand Challenges, such as to “control the emergent properties that arise from the complex correlations of atomic and electronic constituents” and the “hidden states” “very far away from equilibrium”. Ultrafast methods, such as the pump-probe approach, enable pathways toward understanding, and ultimately controlling, the chemical dynamics of molecular systems and the evolution of complexity in mesoscale and nanoscale systems. Central to understanding how to synthesize and exploit functional materials is having the ability to apply external stimuli (such as heat, light, a reactive flux, and an electrical bias) and to observe the resulting dynamic process in situ and in operando, and under the appropriate environment (e.g., not limited to UHV conditions). To enable revolutionary advances in electron scattering and science, the participants of the workshop recommended three major new instrumental developments: A. Atomic-Resolution Multi-Dimensional Transmission Electron Microscope: This instrument would provide quantitative information over the entire real space, momentum space, and energy space for visualizing dopants, interstitials, and light elements; for imaging localized vibrational modes and the motion of charged particles and vacancies; for correlating lattice, spin, orbital, and charge; and for determining the structure and molecular chemistry of organic and soft matter. The instrument will be uniquely suited to answer fundamental questions in condensed matter physics that require understanding the physical and electronic structure at the atomic scale. Key developments include stable cryogenic capabilities that will allow access to emergent electronic phases, as well as hard/soft interfaces and radiation- sensitive materials. B. Ultrafast Electron Diffraction and Microscopy Instrument: This instrument would be capable of nano-diffraction with 10 fs temporal resolution in stroboscopic mode, and better than 100 fs temporal resolution in single shot mode. The instrument would also achieve single- shot real-space imaging with a spatial/temporal resolution of 10 nm/10 ps, representing a thousand fold improvement over current microscopes. Such a capability would be complementary to x-ray free electron lasers due to the difference in the nature of electron and x-ray scattering, enabling space-time mapping of lattice vibrations and energy transport, facilitating the understanding of molecular dynamics of chemical reactions, the photonic control of emergence in quantum materials, and the dynamics of mesoscopic materials. C. Lab-In-Gap Dynamic Microscope: This instrument would enable quantitative measurements of materials structure, composition, and bonding evolution in technologically relevant environments, including liquids, gases and plasmas, thereby assuring the understanding of structure function relationship at the atomic scale with up to nanosecond temporal resolution. This instrument would employ a versatile, modular sample stage and holder geometry to allow the multi-modal (e.g., optical, thermal, mechanical, electrical, and electrochemical) probing of materials’ functionality in situ and in operando. The electron optics encompasses a pole piece that can accommodate the new stage, differential pumping, detectors, aberration correctors, and other electron optical elements for measurement of materials dynamics. To realize the proposed instruments in a timely fashion, BES should aggressively support research and development of complementary and enabling instruments, including new electron sources, advanced electron optics, new tunable specimen pumps and sample stages, and new detectors. The proposed instruments would have transformative impact on physics, chemistry, materials science, engineering

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Anomalous Spin‐Optical Helical Effect in Ti‐Based Kagome Metal

The kagome lattice stands as a rich platform for hosting a wide array of correlated quantum phenomena, ranging from charge density waves and superconductivity to electron nematicity and loop current states. Direct detection of loop currents in kagome systems has remained a formidable challenge due to their intricate spatial arrangements and the weak magnetic field signatures they produce, and this has made their identification experimentally subtle. This has left their existence and underlying mechanisms a topic of intense debate. In this work, we uncover signatures compatible with loop currents: spin handedness-selective signals that surpass conventional dichroic, spin, and spin-dichroic responses. We observe this phenomenon in the kagome metal CsTi 3 ⁢Bi 5 and we call it the anomalous spin-optical helical effect. This effect arises from the coupling of light's helicity with spin-orbital electron correlations, thereby providing an indirect yet sensitive approach to probe loop-current–related electronic correlations in quantum materials. Our discovery not only enriches the debate surrounding loop currents but also offers new experimental strategies to exploit the electronic phases of quantum materials via light–matter interaction.

anomalous spin-optical helical effect↗

DOE OSTI2015

Numerical studies and metric development for validation of magnetohydrodynamic models on the HIT-SI experiment

We present application of three scalar metrics derived from the Biorthogonal Decomposition (BD) technique to evaluate the level of agreement between macroscopic plasma dynamics in different data sets. BD decomposes large data sets, as produced by distributed diagnostic arrays, into principal mode structures without assumptions on spatial or temporal structure. These metrics have been applied to validation of the Hall-MHD model using experimental data from the Helicity Injected Torus with Steady Inductive helicity injection experiment. Each metric provides a measure of correlation between mode structures extracted from experimental data and simulations for an array of 192 surface-mounted magnetic probes. Numerical validation studies have been performed using the NIMROD code, where the injectors are modeled as boundary conditions on the flux conserver, and the PSI-TET code, where the entire plasma volume is treated. Initial results from a comprehensive validation study of high performance operation with different injector frequencies are presented, illustrating application of the BD method. Using a simplified (constant, uniform density and temperature) Hall-MHD model, simulation results agree with experimental observation for two of the three defined metrics when the injectors are driven with a frequency of 14.5 kHz.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

The impact of coupled air–sea interaction on extreme East Asian summer monsoon simulation in CMIP5 models

Abstract In this study, the relationship between the ability to simulate air–sea interactions over the western North Pacific (WNP), and to reproduce the extreme East Asian summer monsoon (EASM), were investigated by comparing the performances of several global climate models (GCMs). High ranked in air–sea interaction simulation (HRA) and low ranked in air–sea interaction simulation (LRA) models were selected, according to their performance in simulating relations between sea surface temperature (SST) and precipitation over the WNP, from the ensemble of models that participated in the third and fifth phases of the Coupled Model Intercomparison Project (CMIP3, CMIP5). Compared with CMIP3 models, CMIP5 models exhibited improved simulations of the distinctive air–sea interaction over the WNP, namely, the strong atmospheric forcing on the ocean. Among CMIP5 models, HRA models, which reproduced intrinsic negative correlations between precipitation and SST over the WNP, could simulate the extreme EASM better than LRA models. In particular, HRA models generated a more realistic spatial distribution of the extreme EASM compared with LRA models. The defects of the LRA models resulted from distorted synoptic fields, including underestimated geopotential height and overestimated low‐level wind over the WNP, inducing unrealistic moisture supply and convection due to the exaggerated SST forcing. In contrast, reasonable air–sea interactions represented in HRA models lead to realistic synoptic fields over the WNP, and proper simulation of the extreme EASM.

Kim, Taehyung↗

DOE OSTI2019

Validation of a DIXON-based fat quantification technique for the measurement of visceral fat using a CT-based reference standard

Purpose: The purpose of the study is to determine whether a novel semi-automated DIXON-based fat quantification algorithm can reliably quantify visceral fat using a CT-based reference standard. Methods: This was an IRB-approved retrospective cohort study of 27 subjects who underwent abdominopelvic CT within 7 days of proton density fat fraction (PDFF) mapping on a 1.5T MRI. Cross-sectional visceral fat area per slice (cm{sup 2}) was measured in blinded fashion in each modality at intervertebral disc levels from T12 to L4. CT estimates were obtained using a previously published semi-automated computational image processing system that sums pixels with attenuation − 205 to − 51 HU. MR estimates were obtained using two novel semi-automated DIXON-based fat quantification algorithms that measure visceral fat area by spatially regularizing non-uniform fat-only signal intensity or de-speckling PDFF 2D images and summing pixels with PDFF ≥ 50%. Pearson’s correlations and Bland–Altman analyses were performed. Results: Visceral fat area per slice ranged from 9.2 to 429.8 cm{sup 2} for MR and from 1.6 to 405.5 cm{sup 2} for CT. There was a strong correlation between CT and MR methods in measured visceral fat area across all studied vertebral body levels (r = 0.97; n = 101 observations); the least (r = 0.93) correlation was at T12. Bland–Altman analysis revealed a bias of 31.7 cm{sup 2} (95% CI [− 27.1]–90.4 cm{sup 2}), indicating modestly higher visceral fat assessed by MR. Conclusion: MR- and CT-based visceral fat quantification are highly correlated and have good cross-modality reliability, indicating that visceral fat quantification by either method can yield a stable and reliable biomarker.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2026

Physicochemical evolution of uranium nitride kernel microstructure with varying carbon distribution for advanced TRISO fuel forms

Uranium nitride (UN) has emerged as a fuel candidate for advanced nuclear reactor concepts due to its superior uranium density, thermal conductivity, and high melting temperature. However, the fabrication route for converting UO 2 to UN is complex and difficult to standardize. Although the chemistry of this conversion process is well-studied, more insight into the physicochemical dynamics of this conversion using advanced characterization techniques can help further our understanding of this material system. This work leveraged thermogravimetric analysis (TGA), X-ray diffraction (XRD), and nondestructive 3D X-ray computed tomography (XCT) to characterize dynamic microstructural changes in the UO 2 → UCO → UN fabrication pathway for two kernels with a varying carbon distribution in the starting composition. TGA and XRD were used to quantify changes in the mass, density, and chemical composition of the two kernels, while three-dimensional image processing and segmentation of XCT data were used to quantify the volume, surface area, and spatial distribution of features within each kernel for multiple steps along the fabrication pathway. The analysis indicates distinct differences between the two kernels that are correlated to downstream conversion efficiency. In conclusion, this work is among the first to perform 3D quantification of physicochemical evolution during UN conversion, providing quantitative correlation between processing, properties, and expected fuel performance.

Nuclear fuel↗