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DOE OSTI2019

Laser-produced uranium plasma characterization and Stark broadening measurements

This work reports the spatiotemporal diagnostics of uranium species in plasma plumes produced by nanosecond near-infrared laser pulses in a low-pressure environment. Spatially and temporally resolved emission spectroscopy experiments are combined with the modeling of uranium emission for investigating the dynamics of the plume. The Saha-Eggert equation and Boltzmann plots generated from numerous U I transitions are used to infer temperature. This work also reports the measurements of uranium Stark broadening parameters for U I 499.01 nm and U II 500.82 nm transitions. The Stark widths of select U transitions were measured by comparing their linewidths with the broadening of the O I 777.19 nm line. The electron density was found to be of the order of 10 16 cm -3 , while the temperature was found to be in the range of 3000–9000 K. In addition to enhancing the fundamental understanding of high-Z plasmas in reduced-pressure environments, the knowledge of Stark broadening parameters could improve the modeling capabilities and analytical performance of techniques that rely on emission plasma spectroscopy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

TRACER-ACE: Aerosol Characterization Experiment Field Campaign Report

An objective for the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Tracking Aerosol Convection Interactions Experiment (TRACER) is to provide high-temporal-and-spatial resolution observations of convective clouds in the Houston region, over a broad range of environmental and aerosol regimes (Jensen et al. 2022). The TRACER siting strategy was to deploy the first ARM Mobile Facility (AMF1), with its full suite of cloud, aerosol, precipitation, and atmospheric state measurement capabilities, in a region that experiences the full diversity of aerosol properties from the Houston domain including rural, urban, and industrial atmospheric aerosol environments (see Figure 1).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Structural characterization of neutron irradiated hexagonal boron-10 nitride-15 single crystals

The negatively charged boron vacancy ($V$$^{–}_{⁠B}$⁠) in hexagonal boron nitride (hBN) is a promising quantum defect that can be used to sense pressure, temperature, and magnetic field with high spatial resolution. hBN enriched with the boron-10 and nitrogen-15 isotopes, denoted h 10 B 15 N, has good contrast and coherence for quantum sensing because nitrogen-15 has nuclear spin (1/2), reducing hyperfine interactions. Boron vacancies can be generated by neutron irradiation, which causes the transmutation of the boron-10 isotope to lithium-7. In this study, the ancillary structural, compositional, and mechanical properties of h 10 B 15 N crystals that have been subjected to neutron irradiation fluences from 1.4 × 10 16 to 8.4 × 10 17 n/cm 2 were thoroughly characterized. Besides creating $V$$^{–}_{⁠B}$⁠, the process also induces other defects that generate strain in the crystal lattice. In turn, the mechanical properties of these crystals change drastically. Investigated here are the visual changes, lattice integrity, composition, crystal strain, and elastic constants (C 33 and C 66 ) to assess how these characteristics change as a function of neutron fluence.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Multiscale Understanding and Architecture Design of High Energy/Power Lithium-Ion Battery Electrodes

Among various commercially available energy storage devices, lithium-ion batteries (LIBs) stand out as the most compact and rapidly growing technology. This multicomponent system operates on coupled dynamics to reversibly store and release electricity. With the hierarchical electrode architectures inside LIBs, versatile functionality can be realized by design, while considerable difficulties remain to be solved to fully exploit the capability of each constituent. With the rapid electrification of the transportation sector and an urgent need to overhaul electric grids in the context of renewable energy penetration, demands for concomitant high energy and high power batteries are continuously increasing. Although building an ideal battery requires effort from multiple scientific and engineering aspects, it is imperative to gain insight into multiscale transport behaviors arising in both spatial and temporal dimensions, and enable their harmonic integration inside the whole battery system. In this progress report, recent research efforts on characterizing and understanding transport kinetics in LIBs are reviewed covering a broad range of electrode materials and length scales. Further, to demonstrate the crucial role of such information in revolutionary electrode design, examples of innovative high energy/power electrodes are provided with their unique hierarchical porous architectures highlighted. To conclude, perspectives on further approaches toward advanced thick electrode designs with fast kinetics and tailored properties are discussed.

25 ENERGY STORAGE↗

DOE OSTI2018

Advanced Imaging of the Left Atrium with Cardiac Magnetic Resonance: A Review of Current and Emerging Methods and Clinical Applications

Purpose of Review: The thin wall of the left atrium (LA) is difficult to visualize. The high spatial and temporal resolution of cardiac magnetic resonance (CMR) allows for the most accurate assessment of left atrial structure, function, and tissue characterization. This review will describe emerging methods used to image the LA with CMR, and will discuss associated clinical applications. Recent Findings: LA function can now be described in a dynamic fashion with feature-tracking algorithms. Novel methods have been created to augment visualization of late gadolinium enhancement (LGE) in the LA, and left atrial fibrosis can be further quantified with T1 mapping algorithms. The advancement in how we image the LA with CMR has implications in atrial fibrillation (AF) and cardiomyopathic processes. Summary: A nuanced understanding of left atrial pathology is emerging with the rapid advancement of CMR technology, which has implications in the risk stratification and treatment of several cardiovascular disease states.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Discovering hidden geothermal signatures using non-negative matrix factorization with customized k-means clustering

Discovery of hidden geothermal resources is challenging. It requires the mining of large datasets with diverse data attributes representing subsurface hydrogeological and geothermal conditions. The commonly used play fairway analysis approach typically incorporates subject-matter expertise to analyze regional data to estimate geothermal characteristics and favorability. We demonstrate an alternative approach based on machine learning (ML) to process a geothermal dataset from southwest New Mexico (SWNM). The study region includes low- and medium-temperature hydrothermal systems. Several of these systems are not well characterized because of insufficient existing data and limited past explorative work. This study discovers hidden patterns and relations in the SWNM geothermal dataset to improve our understanding of the regional hydrothermal conditions and energy-production favorability. This understanding is obtained by applying an unsupervised ML algorithm based on non-negative matrix factorization coupled with customized k-means clustering (NMFk). NMFk can automatically identify (1) hidden signatures characterizing analyzed datasets, (2) the optimal number of these signatures, (3) the dominant data attributes associated with each signature, and (4) the spatial distribution of the extracted signatures. Here, in this study, NMFk is applied to analyze 18 geological, geophysical, hydrogeological, and geothermal attributes at 44 locations in SWNM. Using NMFk, we find data patterns and identify the spatial associations of hydrothermal signatures within two physiographic provinces (Colorado Plateau and Basin and Range) and two sub-regions of these provinces (the Mogollon-Datil volcanic field and the Rio Grande rift) in SWNM. The ML algorithm extracted five hydrothermal signatures in the SWNM datasets that differentiate between low (<90°C) and medium (90-150°C)-temperature hydrothermal systems. The algorithm also suggests that the Rio Grande rift and northern Mogollon-Datil volcanic field are the most favorable regions for future geothermal resource discovery. NMFk also identified critical attributes to identify medium-temperature hydrothermal systems in the study area. The resulting NMFk model can be applied to predict geothermal conditions and their uncertainties at new SWNM locations based on limited data from unexplored regions. The code to execute the performed analyses as well as the corresponding data can be found at https://github.com/SmartTensors/GeoThermalCloud.jl.

15 GEOTHERMAL ENERGY↗

DOE OSTI2026

Acute wood smoke exposure is associated with cell-specific hippocampal transcriptomic responses in an accelerated ovarian failure mouse model

Background Wildfire events are increasing in frequency and intensity, and aging individuals demonstrate heightened biological susceptibility to air pollution exposures including increased risk of neurological sequelae. Declining ovarian hormones levels that occur with aging in females along with associated systemic physiological and inflammatory changes may contribute to increased cerebral vulnerability to air pollution, representing a potential but underexplored mechanism. Menopause and the menopausal transition represent a period of profound physiological change that affects cardiovascular, neurological, and immune health. Methods We tested whether peri-menopausal–like hormonal status amplifies hippocampal responses to acute wood smoke (WS) using an ovary-intact, 4-vinylcyclohexene diepoxide (VCD) model of moderate accelerated ovarian failure (AOF) in female C57BL/6 mice. Animals were exposed to HEPA-filtered air (FA) or WS for 4 h/day over 2 consecutive days (∼0.5 mg/m³). Exposure characterization confirmed a complex mixture of combustion products with significant levels of both trace metals and gas release during WS exposure. Results Spatial transcriptomics (10x Visium; n = 4 sections/group) with automated cell-type annotation identified astrocytes, GABAergic and glutamatergic neurons, oligodendrocytes, revealed cell type-specific transcriptional alterations following WS exposure. Distinct transcriptional patterns were observed across all identified neuronal and glial cell populations. Conclusion Together, these findings define a cell-type specific transcriptomic framework describing how WS exposure and ovarian hormone decline interact to influence hippocampal responses and identify potential cellular pathways relevant to hippocampal vulnerability.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2022

Facile alignment estimation in carbon nanotube films using image processing

Whether a macroscopic assembly of carbon nanotubes can exhibit the one-dimensional properties expected from individual nanotubes critically depends on how well the nanotubes are aligned inside the assembly. Therefore, a simple and accurate method for assessing the degree of alignment is desired for the rapid characterization of carbon nanotube films and fibers. Here, we present an end-to-end solution for determining the global and local spatial orientation of carbon nanotubes in films within a short amount of time using a fast, precise, and economical approach based on an image processing method applied to scanning electron microscopy images. Further, we first use Laplacian edge enhancement filtering for improving the appearance of edge regions, which is followed by image partitioning into multiple blocks to capture the nanoscale orientation characteristics and total variation-based image decomposition of these image blocks. We then perform a 2D-fast Fourier transform on the image decomposed textural components of these edge-enhanced image blocks to determine the orientation distribution, which is utilized to estimate the 2D nematic order parameter. To show the effectiveness of our method, we corroborated our results against results obtained with other state-of-the-art image processing and experimental techniques.

2D-FFT↗

DOE OSTI2024

Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane

The oncogene RAS, extensively studied for decades, presents persistent gaps in understanding, hindering the development of effective therapeutic strategies due to a lack of precise details on how RAS initiates MAPK signaling with RAF effector proteins at the plasma membrane. Recent advances in X-ray crystallography, cryo-EM, and super-resolution fluorescence microscopy offer structural and spatial insights, yet the molecular mechanisms involving protein-protein and protein-lipid interactions in RAS-mediated signaling require further characterization. This study utilizes single-molecule experimental techniques, nuclear magnetic resonance spectroscopy, and the computational Machine-Learned Modeling Infrastructure (MuMMI) to examine KRAS4b and RAF1 on a biologically relevant lipid bilayer. MuMMI captures long-timescale events while preserving detailed atomic descriptions, providing testable models for experimental validation. Both in vitro and computational studies reveal that RBDCRD binding alters KRAS lateral diffusion on the lipid bilayer, increasing cluster size and decreasing diffusion. RAS and membrane binding cause hydrophobic residues in the CRD region to penetrate the bilayer, stabilizing complexes through β-strand elongation. These cooperative interactions among lipids, KRAS4b, and RAF1 are proposed as essential for forming nanoclusters, potentially a critical step in MAP kinase signal activation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Interactions of laser speckles due to kinetic stimulated Raman scattering

We examine the possible interactions of two laser speckles due to the exchange of electrons and waves generated by stimulated Raman scattering (SRS) using two-dimensional particle-in-cell simulations. By controlling the relative polarization, spatial placement, and timing of two laser speckles, one above-threshold and one below-threshold for SRS, we isolate and characterize SRS growth stimulated in below-threshold speckles. SRS in the below-threshold speckle is shown to be triggered by energetic electrons, scattered light waves, and scattered plasma waves generated from the above-threshold speckle. As a result, we show that scattered light or electrons alone can be an intermediary trigger for SRS.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Resolving crystallographic geometrically necessary dislocations in three dimensions in a hexagonal close packed titanium alloy

Abstract Geometrically necessary dislocation (GND) content is measured from mm 3 -scaled Ti7Al three-dimensional (3D) microstructural data using a theory extended for hexagonal close packed crystals, which accounts for basal, prismatic and pyramidal ⟨ c + a ⟩ type dislocation content. The Ti7Al samples have been mechanically pre-strained to two different strain levels, and will then be strained along the same axis in uniaxial tension during simulation. Both inter- and intragranular GNDs across the microstructures have been characterized, with a large contribution of pyramidal ⟨ c + a ⟩ GNDs, consistent with the relative slip activity involved in pre-straining. The spatially resolved crystallographic GND distributions within the 3D microstructures are used to instantiate a microstructure model for forward modeling deformation simulations by a dislocation density hardening elasto-viscoplastic fast Fourier transform framework. Coarsening the voxel resolution during the initial microstructure construction procedure is shown to strongly impact both the magnitude and spatial distribution of the GNDs and in turn the forward deformation response of the pre-strained material. This study indicates that the voxel resolution desired when transferring from measured to model microstructures need not only be proportionally scaled with the microstructure but also sufficiently fine to capture the subgranular orientation gradients that may already be present in the material.

Materials Science↗

DOE OSTI2021

Deep in the Sierra Nevada critical zone: saprock represents a large terrestrial organic carbon stock

Large uncertainty remains in the spatial distribution of deep soil organic carbon (OC) storage and how climate controls belowground OC. This research aims to quantify OC stocks, characterize soil OC age and chemical composition, and evaluate climatic impacts on OC storage from the soil surface through the deep critical zone to bedrock. These objectives were carried out at four sites along a bio-climosequence in the Sierra Nevada, California. On average, 74% of OC was stored below the A horizon, and up to 30% of OC was stored in saprock (friable weakly weathered bedrock). Radiocarbon, spectroscopic, and isotopic analyses revealed the coexistence of very old organic matter (OM) (mean radiocarbon age = 20 300 years) with relatively recent OM (mean radiocarbon age = 4800 years) and highly decomposed organic compounds with relatively less decomposed material in deep soil and saprock. This co-mingling of OM suggests OC is prone to both active cycling and long-term protection from degradation. In addition to having direct effects on OC cycling, climate indirectly controls deep OC storage through its impact on the degree of regolith weathering (e.g. thickening). Although deep OC concentrations are low relative to soil, thick saprock represents a large, previously unrealized OC pool.

58 GEOSCIENCES↗

DOE OSTI2018

Superresolution Diffuse Optical Imaging by Localization of Fluorescence

The multiple scattering of light presents major challenges in realizing useful in vivo imaging at tissue depths of more than about one millimeter, where many answers to health questions lie. Visible through near-infrared photons can be readily and safely detected through centimeters of tissue; however, limited information is available for image formation. One strategy for obtaining images is to model the photon transport and a simple incoherent model is the diffusion equation approximation to the Boltzmann transport equation. Such an approach provides a prediction of the mean intensity of heavily scattered light and hence provides a forward model for optimization-based computational imaging. While diffuse optical imaging methods have received substantial attention, they remain restricted in terms of resolution because of the loss of high-spatial-frequency information that is associated with the multiple scattering of photons. Consequently, only relatively large inhomogeneities, such as tumors or organs in small animals, can be effectively resolved. We introduce a superresolution imaging approach based on point localization in a diffusion framework that enables over two orders of magnitude improvement in the spatial resolution of diffuse optical imaging. The method is demonstrated experimentally by localizing a fluorescent inhomogeneity in a highly scattering slab and characterizing the localization uncertainty. The approach allows imaging through centimeters of tissue with a resolution of tens of microns, thereby enabling cells or cell clusters to be resolved. More generally, this high-resolution imaging approach could be applied with any physical transport or wave model and hence to a broad class of physical problems. Finally, paired with a suitable optical contrast mechanism, as can be realized with targeted fluorescent molecules or genetically modified animals, superresolution diffuse imaging should open alternative dimensions for in vivo applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Chiral liquid phase of simple quantum magnets

We study a T=0 quantum phase transition between a quantum paramagnetic state and a magnetically ordered state for a spin S=1 XXZ Heisenberg antiferromagnet on a two-dimensional triangular lattice. The transition is induced by an easy-plane single-ion anisotropy D. At the mean-field level, the system undergoes a direct transition at a critical D=D c between a paramagnetic state at D>D c and an ordered state with broken U(1) symmetry at D c . We show that beyond mean field the phase diagram is very different and includes an intermediate, partially ordered chiral liquid phase. Specifically, we find that inside the paramagnetic phase the Ising (J z ) component of the Heisenberg exchange binds magnons into a two-particle bound state with zero total momentum and spin. This bound state condenses at D>D c , before single-particle excitations become unstable, and gives rise to a chiral liquid phase, which spontaneously breaks spatial inversion symmetry, but leaves the spin-rotational U(1) and time-reversal symmetries intact. This chiral liquid phase is characterized by a finite vector chirality without long-range dipolar magnetic order. In our analytical treatment, the chiral phase appears for arbitrarily small J z because the magnon-magnon attraction becomes singular near the single-magnon condensation transition. This phase exists in a finite range of D and transforms into the magnetically ordered state at some D c . In conclusion, we corroborate our analytic treatment with numerical density matrix renormalization group calculations.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Tunable UV upgrade on OMEGA EP

The OMEGA EP laser has been upgraded to provide a UV wavelength-tunable beam to support the study of wavelength detuning for the mitigation of cross-beam energy transfer in direct-drive inertial confinement fusion. The beamline delivers up to 0.5 TW in pulses up to 1-ns duration (0.1 TW up to 2.5 ns), to either the OMEGA or OMEGA EP target chambers with wavelength tunable from 350.2 to 353.4 nm. The upgrade leverages the existing optical parametric amplification (OPA) system in the short-pulse front end of OMEGA EP Beamline 1 for amplification of a new tunable, narrowband fiber front end over a broad spectral range. The tunable OPA output is spatially shaped to form a round OMEGA-like beam, which is amplified in the OMEGA EP beamline, then frequency tripled and characterized using the existing OMEGA EP long-pulse infrastructure. A new 3ω beam-transport system intercepts the tunable UV beam near the OMEGA EP target chamber and image relays it to the P9 port of the OMEGA target chamber for joint shots with the OMEGA 60-beam laser. Commissioning of the tunable UV capability has been completed, and four experimental campaigns have been supported with the tunable beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Stress Mapping in Glass-to-Metal Seals using Indentation Crack Lengths.

Predicting the residual stress which develops during fabrication of a glass-to-metal compression seal requires material models that can accurately predict the effects of processing on the sealing glass. Validation of the predictions requires measurements on representative test geometries to accurately capture the interaction between the seal materials during a processing cycle required to form the seal, which consists of a temperature excursion through the glass transition temperature of the sealing glass. To this end, a concentric seal test geometry, referred to as a short cylinder seal, consisting of a stainless steel shell enveloping a commercial sealing glass disk has been designed, fabricated, and characterized as a model validation test geometry. To obtain data to test/validate finite element (FE) stress model predictions of this geometry, spatially-resolved residual stress was calculated from the measured lengths of the cracks emanating from radially positioned Vickers indents in the glass disk portion of the seal. The indentation crack length method is described, and the spatially-resolved residual stress determined experimentally are compared to FE stress predictions made using a nonlinear viscoelastic material model adapted to inorganic sealing glasses and an updated rate dependent material model for 304L stainless steel. The measurement method is a first to achieve a degree of success for measuring spatially resolved residual stress in a glass-bearing geometry and a favorable comparison between measurements and simulation was observed.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Stress Mapping in Glass-to-Metal Seals using Indentation Crack Lengths

36 MATERIALS SCIENCE↗

DOE OSTI2019

Measuring Magnetic Fields in Collisionless Experiments

Magnetic field and electron density diagnostics are critical tools in the characterization of high energy density laboratory plasmas. These plasma environments are complex and the magnetic fields and electron densities often exhibit significant spatial and temporal variation leading to significant challenges in these measurements. Even the most promising technique, Zeeman splitting, faces challenges under plasma conditions where broadening due to high density and temperature is greater than the Zeeman splitting. Here we propose and describe a diagnostic based on Zeeman broadening. The Zeeman broadening diagnostic relies on measuring the widths of multiplet components simultaneously. The method does not depend on resolved lines, but rather on measuring the difference in the widths of multiplet lines. Experiments were performed at the University of Nevada, Reno, Nevada Terawatt Facility (NTF). The Zeeman broadening diagnostic gathered visible broadened multiplet spectra from laser produced plasmas, and plasmas generated from wire-arrays driven by the Zebra z-pinch pulsed power apparatus. The laser produced plasma, created by the Leopard pulsed laser (I>1014 W/cm 2 ), evolved in an external magnetic field (B<40T) generated by current driven through a solid electrode by the Zebra current pulse. For laser produced plasmas, observation of the magnetic field radial profile showed that the external field completely diffuses into the plasma after approximately 100 ns. Further, as the plasma continues to evolve, the field profiles within the plasma develop modulations that do not map the external field profile. For the wire array experiments, radial electron density, and magnetic field, profiles were measured. Here the Zeeman splitting was not resolved and the magnetic fields were determined from the difference between the widths of the multiplet line profiles. Thus, it has been demonstrated that Zeeman broadening may be used as a magnetic field diagnostic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗