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Microwave digestion and quantification procedure

The samples were microwave digested to accomplish complete dissolution needed to perform quantitative analysis of their iron content. The diamond and Para B4 C samples did not dissolve during the microwave digestion and they were filtered. The supernatant was analyzed. The resulting solutions were analyzed by ICP-OES for the major cation content and by ICP-MS for trace element content.

36 MATERIALS SCIENCE↗

Comparative Analysis of Rear Irradiance Modeling Methods for Bifacial PV Systems on Single-Axis Trackers Under Varying Albedo Conditions

This study compares three rear-side irradiance modeling methods for bifacial PV systems on single-axis trackers: (i) the 2D View Factor (VF) model in PVsyst(R), (ii) the open-source PVFactors VF model, and (iii) the Ray Tracing (RT) technique using bifacial_radiance. Simulations were benchmarked against field measurements from a pilot PV plant with rear-side sensors at the torque tube height. Results show that all models underestimated the non-uniformity of rear irradiance along the module length and overestimated the total rear irradiance incident on the module. However, since bifacial gain represents only a fraction of the system's total energy, the resulting energy yield differences among methods remained within +- 2 % of measured values, which is typical for such simulations. While the overall energy impact is limited, this study characterizes the specific limitations of each modeling approach, supporting further improvements in bifacial PV performance assessment methods.

14 SOLAR ENERGY↗

Self-aligned concentrating immersion-lens arrays for patterning and efficiency recovery in scaffold-reinforced perovskite solar cells

In contrast to existing silicon, CIGS, and multi-junction cells that exhibit remarkable mechanical durability, perovskite solar cells have been shown to delaminate when subjected to the mechanical loads that occur during processing and field exposures, limiting their potential as a reliable solar technology. Mechanical reinforcement is thus essential for durable and reliable perovskite technologies. One current strategy to overcome the thermomechanical fragility of perovskite solar cells is to extrinsically shield them by introducing reinforcing scaffolds which partition the cell into many distinct microcells, but improvements in mechanical stability coincide with a reduced device efficiency due to parasitic absorption by the scaffold. We address this reduced efficiency by integrating concentrating immersion-lens arrays (CILAs) into scaffold-reinforced solar cells. These scaffolds are lithographically patterned by a maskless process, in which ultraviolet light is used to pattern the scaffolds through the CILAs, ensuring self-alignment and optical contact with the microcells. Perovskite devices are deposited into the microcells, and during operation, light is concentrated into the microcells and away from the insulating scaffolds, resulting in mechanically resilient solar cells with efficiencies comparable to planar devices. The CILAs also exhibit passive tracking of incident light—verified experimentally and with ray-tracing simulations—which is critical for optimal power output as the sun moves across the sky during the day. The simplicity of the fabrication process and the efficiency of the resulting scaffolded devices show that a lens-integrated scaffold-reinforced structure is a potential pathway to high-performance, robust, commercially viable perovskite solar cells.

14 SOLAR ENERGY↗

Persistence of deuterium and tritium nuclear spin-polarization in presence of high-frequency plasma waves

We present first-principles numerical calculations of the depolarization rate of spin-polarized deuterium and tritium nuclei in realistic tokamak plasmas, driven by resonant interactions with plasma waves. Backed up by first-of-a-kind linear and nonlinear simulations, we find that alpha particle-driven Alfvénic modes cause only negligible depolarization, which is contrary to expectations in prior literature. Other Alfvénic instabilities can in principle degrade polarization, but only under conditions unlikely to be realized on transport timescales. By combining full-orbit particle tracing with a dedicated depolarization solver, we demonstrate that wave-driven depolarization is surprisingly weak in SPARC and ITER-scale devices. These results provide strong evidence that spin-polarized fuel can maintain its polarization long enough to boost fusion reactivity, opening a viable path toward substantially enhanced performance in magnetic confinement fusion power plants.

Cook, James William Setchfield [UK Atomic Energy A↗

Damage Evolution of Double-Sided Copper Conductor on Multi-layer Flexible Substrate Under Bending

Abstract—Thin-film conductors continue to play an important role in flexible electronics, and thus, the performance and reliability of such conductors under mechanical loading such as stretch, bend, and twist need to be studied through experiments as well as simulations. This paper focuses on the damage evolution of the thin-film conductors under cyclic bending. Four types of double-sided copper conductors: straight trace without coverlay, straight trace with coverlay, notched trace without coverlay, and notched trace with coverlay on multi-layer substrates were studied in this work. The adaptive curvature flexure test method, which is suitable for thin-film bending, was employed in this work. Adaptive curvature flexure test is one where the flexible substrate with its conductor is positioned between two parallel plates, and the parallel plates are moved relative to each other such that the gap distance between the parallel plates changes in one of the configurations of the adaptive curvature flexure test. Different strain levels can be achieved easily in such an adaptive curvature flexure test by controlling the gap distance between the parallel plates. By subjecting flexible substrates with thin conductors to such bend tests, the fatigue life of the specimen was determined for different magnitudes of strain ranges. The results were then compared among the four types of conductors. Specimens were designed such that the conductors were placed on both sides of the substrate so that the one of the conductors would undergo tensile straining, while the other one would undergo compressive straining. It was shown that the fatigue life was highly dependent on the magnitude of strain range, and that the conductor on the compressive side failed sooner than that on the tensile side. The failed specimens were examined in a microscope at different number of cycles. Also, the resistance of the conductors, which is directly related to the reliability of thin-film conductors, was monitored in-situ during bending. The resistance change with the strain range change as well as the resistance progression with the number of cycles in tensile as well as compressive mode were determined, and such information is then used to create failure prediction models for thin-film conductors on flexible substrates.

damage evolution, flexible conductor, multi-layer ↗

Supporting information for Few-Shot Learning Enables Population-Scale Analysis of Leaf Traits in Populus trichocarpa

In this work, we use few-shot learning to segment the body and vein architecture of P. trichocarpa leaves from high-resolution scans obtained in the UC Davis common garden. Leaf and vein segmentation are formulated as separate tasks, in which convolutional neural networks (CNNs) are used to iteratively expand partial segmentations until reaching stopping criteria. Our leaf and vein segmentation approaches use just 50 and 8 manually traced images for training, respectively, and are applied to a set of 2,634 top and bottom leaf scans. We show that both methods achieve high segmentation accuracy, in some cases exceeding even human-level segmentation. The leaf and vein segmentations are subsequently used to extract 68 morphological traits using traditional open-source image processing tools, which are validated using real-world physical measurements. For a biological perspective, we perform a genome-wide association study using the vein density trait to discover novel genetic architectures associated with multiple physiological processes relating to leaf development and function. In addition to sharing all of the few-shot learning code (see https://github.com/jlager/few-shot-leaf-segmentation), we are releasing all images, manual segmentations, model predictions, 68 extracted leaf phenotypes, and a new set of SNPs called against the v4 P. trichocarpa genome for 1,419 genotypes. The data folder includes all images, ground truth segmentations, predicted segmentations, and extracted leaf traits. All images encode the sample ID in the file name by indicating the treatment, block, row, position, and leaf side, respectively. For example, the file, C_1_1_2_bot.jpeg, indicates the control treatment, block 1, row 1, position 2, and the bottom side of the leaf. Tabulated results include position IDs as well as the corresponding genotype IDs. The images folder includes the 2,906 high-resolution leaf scans taken in the field. The leaf_masks folder includes 50 ground truth segmentations used for training the leaf tracing algorithm. The leaf_preds folder includes the 2,906 predicted segmentations from the leaf tracing algorithm. The vein_masks folder includes 8 ground truth segmentations used for training the vein growing algorithm. The vein_preds folder includes the 1,453 predicted segmentations from the vein growing algorithm. The vein_probs folder includes the 1,453 predicted probability maps from the vein growing algorithm before thresholding. The genomes folder includes the set of SNPs called against the v4 P. trichocarpa genome for 1,419 genotypes with a README file detailing the steps taken. The results folder includes: (i) raw values of the 68 predicted leaf traits in digital_traits.tsv, (ii) manually measured values of petiole length and width in manual_traits.tsv, (iii) thin plate spline (TPS) adjusted values of the vein density trait in vein_density_tps_adj.tsv, (iv) best linear unbiased prediction (BLUP) adjusted values of the vein density trait in vein_density_blups.tsv, and (v) GWAS results for the vein density trait, including chromosome positions and corresponding P values, in gwas_results.csv.

09 BIOMASS FUELS↗

US-DOE and Republic of South Africa Uranium Benchmarking: Results From Los Alamos National Laboratory (Study Report)

This report details work performed at Los Alamos National Laboratory (LANL) in support of an interlaboratory uranium (U) benchmarking collaboration between LANL, Lawrence Livermore National Laboratory (LLNL), and South African Nuclear Energy Corporation (Necsa). The goal of this interlaboratory benchmarking exercise is to compare analytical methods and data obtained on uranium reference materials CUP-2 and New Brunswick Laboratory (NBL) certified reference material (CRM) 124-2. The LANL commitments for this project include performing microwave digestion of fresh CUP-2 and CRM 124-2 powders, measuring the U isotope composition of CUP-2 and CRM 124-2 by both single-collector and multi-collector inductively coupled plasma mass spectrometry (SC-ICP-MS and MC-ICP-MS, respectively), and determining trace-element abundances in CUP-2 and CRM 124-2 by inductively coupled plasma mass spectrometry (ICP-MS). This report details the methods employed by LANL in support of these objectives and presents the data obtained during this collaborative exercise.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Characterization of groove density variation of VLS gratings with ALS XROL LTP-II in different operation modes

The long trace profiler, LTP-II, available at the Advanced Light Source (ALS) X-ray Optics Laboratory (XROL), was recently upgraded by replacing a multimode diode laser light source with a single-mode, wavelength-stabilized, fibercoupled diode laser system. The upgrade enables us to reliably characterize the lateral variation of groove density of variable-line-spacing (VLS) x-ray diffraction gratings. Here, we discuss the LTP-II performance with an example of measurements with a VLS grating with the groove density at the grating center of 300 lines/mm. For the measurements, we use the LTP-II in two different operation arrangements, the single Gaussian beam and the pencil beam interferometer arrangements. For each operation arrangement, we apply two data processing algorithms: with calculating the centroid position and with determining the position of a characteristic features of the detected beam intensity distributions. Additionally, we discuss the observed strong correlation between the LTP-II modes of operation and the resulted (extracted) groove density variations. We also speculate on possible origin of the correlation.

42 ENGINEERING↗

Characterization of Spent Purolite A530E Resin with Implications for Long-Term Radioactive Contaminant Removal

Direct removal of pertechnetate anion (TcO4-) from the subsurface contaminated plumes at legacy nuclear weapons production sites, is effective remediation strategy to prevent their spread to adjacent aquifers but is also challenging because TcO4- is a trace component of the contaminated groundwater typically containing large access of other anionic constituents, such nitrate, sulfate, chloride and others. It can be achieved through ion exchange treatment using Purolite A530E resin which to date however has only been evaluated under laboratory conditions and many questions regarding its long-term operational performance remain. To address this need, here we report comprehensive characterization of the spent Purolite A530E resin which processed over 5.38x109 L of contaminated groundwater and successfully removed about 3.78 Ci of Tc-99 during four years of operation at the 200 West Pump & Treat facility at the US DOE Hanford site. This Tc-99 loading constitutes however only about 0.034% of the theoretical capacity of the resin which retained significant amounts of sulfate. Among other radioactive contaminants, small quantities of U-238, Co-60, and I-129 were retained by the resin. The total loading of iodine (combined 1-127 and I-129) on the spent resin exceeded that of Tc-99. To elucidate the mechanism of iodine retention, ion exchange behavior of iodide and iodate was investigated. Purolite A530E resin exhibited highly efficient uptake of iodide and only moderate affinity for iodate in accord with their Gibbs energy of hydration. Sorption isotherms for both anions obeyed Freundlich model.

Levitskaia, Tatiana G.↗

Lead Isotope Fingerprinting of Nanoscale Mineral Particles via Single Particle Inductively Coupled Plasma Mass Spectrometry

Determining lead (Pb) isotopic ratios is of broad interest across chemical disciplines for source tracing and age determinations, but the technique is inherently limited when multiple sources of Pb are present in a single sample. Single particle methods offer a solution to directly resolve multiple distinct isotopic ratios within individual samples. In this study, single particle inductively coupled plasma-mass spectrometry (spICP-MS) was performed using time-of-flight (TOF) and multicollector (MC)-based platforms to measure the Pb isotopic composition of individual nanoscale particles. Distinct Pb isotope ratios were measured in particles from four powdered galena samples of different origins (average single-particle 206Pb/207Pb ratios ranging from 0.91 to 1.28) using both the TOF and the MC-based platforms. Differentiation of galena particles in a mixture (liberated grains and those hosted in a silicate matrix) was possible due to detecting their unique multielemental fingerprints. The differing behavior of the two galena samples during digestion was investigated; undigested galena particles trapped within silicate minerals were detected using spICP-MS, which has implications for Pb recovery in bulk-scale isotopic analysis. The multinuclide detection capability of the ICP-TOF-MS instrument allowed for the simultaneous detection of secondary constituent elements within the nanoparticles and the identification of multiple populations of isotopically distinct Pb-bearing particles in a copper ore sample, whereas the increased sensitivity of the MC instrument enabled quantification of 204Pb, allowing differentiation using multiple isotopic ratios. A single particle isotope ratio analysis module was developed within an open-source spICP-TOF-MS data processing platform, enabling its adoption across chemical disciplines.

Goodman, Aaron J. [University of Montreal, Quebec,↗

2025 Review and Revision of Federal Guidance Report 15

Federal Guidance Report No. 15 (FGR 15), External Exposure to Radionuclides in Air, Water and Soil, published in 2019 and referred to below as FGR 2019, provides age-specific effective dose rate coefficients for reference persons externally exposed to each of 1252 radionuclides homogenously distributed in environmental media. Soon after completion of FGR 2019, the International Commission on Radiological Protection (ICRP) published a similar report (ICRP Publication 144, 2020) addressing the same radionuclides and many of the external exposure scenarios addressed in FGR 2019. In 2023 Argonne National Laboratory (ANL) published a review of dose coefficients in FGR 2019, concluding that “The external effective dose from beta radiation is not appropriately accounted for in FGR 15 for both low- and high-energy beta emitters in air, in soil, and on soil surfaces.” That conclusion was based largely on comparisons of dose coefficients in FGR 2019 with values in ICRP Publication 144 but also on consideration of some unexpected patterns of equivalent dose rate coefficients across tissues and of effective dose rate coefficients across different soil depths, for a selected set of low-energy beta emitters. In response to the ANL report, the Center for Radiation Protection Knowledge (CRPK) at Oak Ridge National Laboratory (ORNL) performed an extensive reexamination of the methods and published values of FGR 2019. CRPK found that coding errors had resulted in inaccurate estimates, primarily overestimates, in many of the dose coefficients tabulated in FGR 2019 but that many of the differences between results in FGR 2019 and ICRP Publication 144 could be traced to differences in methodology. CRPK has corrected all errors in FGR 2019 associated with the coding errors and has taken the opportunity to improve a major portion of the remaining dose coefficients in FGR 2019, primarily through additional Monte Carlo calculations resulting in improved statistics for tissue equivalent dose rate coefficients for exposure to monoenergetic sources. This has eliminated the need for extrapolation of results from high and medium energies to low energies, as was done in FGR 2019. In addition, inconsistencies in the methodology identified in the review, such as computational representation of the adult female, were eliminated. The revised effective dose rate coefficients are consistent with values in ICRP Publication 144 except for differences in values clearly arising from differences in methodology; and differences in values for a relatively small set of very low-energy radionuclides with highly uncertain dose coefficients regardless of methodology.

54 ENVIRONMENTAL SCIENCES↗

Using Numba for GPU acceleration of Neutron Beamline Digital Twins

Digital twins of neutron instruments using Monte Carlo ray tracing have proven to be useful in neutron data analysis and verifying instrument and sample designs. However, these simulations can become quite complex and computationally demanding with tens of billions of neutrons. In this paper, we present a GPU accelerated version of MCViNE using Python and Numba to balance user extensibility with performance. Numba is an open-source just-in-time (JIT) compiler for Python using LLVM to generate efficient machine code for CPUs and GPUs with NVIDIA CUDA. The JIT nature of Numba allowed complex instrument kernels to be generated easily. Initial simulations have shown a speedup between 200-1000x over the original CPU implementation. The performance gain with Numba enables more sophisticated data analysis and impacts neutron scattering science and instrument design.

Kendrick, Coleman↗

Tracing cosmic gas in filaments and halos: Low-redshift insights from the kinematic Sunyaev-Zel’dovich effect

In this work, we leverage cosmic microwave background (CMB) data from the Atacama Cosmology Telescope (ACT) and LSS data from the imaging survey conducted by the Dark Energy Spectroscopic Instrument (DESI) to study the distribution of gas around galaxy groups at low redshift, z ≈ 0.3, via the kinematic Sunyaev-Zel'dovich (kSZ) effect. In particular, we perform velocity-weighted stacking on the photometric galaxies from the Bright Galaxy Survey (BGS) to isolate the monopole and quadrupole of the kSZ signal, orienting the stacked images along 2D filaments identified using the Hessian of the projected gravitational potential. We find a 7.2σ detection in the monopole of the signal (i.e., the gas density profile) and a 4σ detection in the quadrupole (m = 2), constituting the first measurement of the alignment between gas distribution and the cosmic web through the kSZ effect. As it is a linear probe of the local gas density, the kSZ has heightened sensitivity to the warm-hot intergalactic medium (WHIM), which is believed to house the majority of the "missing baryons."Mapping out the gas density at low redshifts, as enabled by our measurements, is crucial for weak lensing surveys, for which the impact of baryons on small scales is a major impediment. We compare the anisotropic signal against two hydrodynamical simulations, TNG300-1 and Illustris, which have very different baryonic feedback prescriptions. We find that the anisotropic signal measured in the data is comparable but slightly larger and more extended compared with the simulations. Further, this suggests that there is excess accretion and feedback taking place through the filaments, hinting at the possible presence of spin-filament alignment of the BGS objects.

79 ASTRONOMY AND ASTROPHYSICS↗

Crack width control and mechanical properties of low carbon engineered cementitious composites (ECC)

Engineered Cementitious Composites (ECC) have superior properties with high tensile ductility and tight crack width compared to conventional concrete. The properties of ECC are significantly influenced by the material composition which can be tailored to enhance the sustainability of ECC. Towards this goal, recycled crumb rubber (CR) and silica fume (SF) were used to tailor the properties of a polypropylene-fiber reinforced ECC with a low carbon binder based on limestone calcined clay cement (LC3) in this study. Crumb rubber was found to be effective in enhancing strain-hardening performance and reducing the width of the multiple microcracks. However, a loss of compressive strength was accompanied by an increasing amount of CR. While silica fume or lower w/b ratio enhanced the compressive strength, the crack width of ECC increased at higher SF content or lower w/b. The underlying mechanisms of these trends were traced to the alteration of the matrix fracture toughness and fiber/matrix interfacial bond. Rubber particle bridging was found to contribute to crack width control. Finally, the combined use of the LC3 green binder and CR led to a lowering of the embodied and operational carbon footprint of ECC.

36 MATERIALS SCIENCE↗

Prevalent root-derived phenolics drive shifts in microbial community composition and prime decomposition in forest soil

Phenolic compounds perform various functions in soil ranging from microbial substrate to toxin and form the basis of several plant-mediated processes. The aim of this study was to investigate how phenolics commonly exuded by tree roots influence soil organic matter (SOM) decomposition and interact with other labile forms of carbon (C) abundant in root exudates. Therefore, we performed a 38-day incubation experiment and assessed whether phenolic compounds (benzoic acid, caffeic acid and catechin) facilitated or inhibited SOM decomposition in a glucose-amended forest soil. Changes in decomposition, substrate use, fungal and bacterial community composition, and microbial abundance and activity were measured over time using 13 C-stable-isotope tracing, DNA-based molecular methods and enzyme assays. Our findings showed that phenolics inhibited microbial activity and abundance to varying degrees. Yet, benzoic acid was the only compound producing a substantial priming effect leading to a 21% increase in SOM decomposition, which was amplified in glucose-amended soils. This stimulation in microbial activity was associated with an increase in β-1,4-glucosidase activity and the bacterial genera Paraburkholderia and Caballeronia of the Burkholderiaceae family. Phenolics drove microbial community shifts in glucose-amended soils with negligible interactive effects. In conclusion, phenolic priming of SOM decomposition is associated with microbial community shifts and amplified in the presence of glucose. This evidence emphasizes the need for considering phenolics and interactions among root exudates as priming mechanisms in the rhizosphere and other soil environments where aromatics and phenolic compounds are abundant.

59 BASIC BIOLOGICAL SCIENCES↗

How to design a focusing guide: The large moderator case1

As continuously shaped super-mirrors are becoming available, the conceptual design of focusing guides should explore a wider range of possibilities to accomplish an efficient neutron beam extraction. Starting from a desired phase-space volume at the sample position and using an upstream ray-tracing approach, the acceptance diagram of any focusing guide can be calculated at the moderator position. To ensure high brilliance transfer and homogeneous coverage, the acceptance diagram should be fully included in the neutron source emission phase-space volume. Following this idea, the guide system can be scaled into dimensionless geometric figures that convey performance limits for a desired cross-section reduction. Moreover, if we impose a monotonic increase of the reflection angle with divergence angle at the sample position, the shape of the mirror is analytically determined. This approach was applied in the design of a focusing guide for SNAP instrument at SNS, at ORNL, USA. The results of McStas simulations are presented with different options included. Our approach facilitates finding an optimal solution for connecting multiple guide pieces to avoid excessive losses and ensure a homogeneous phase space coverage.

Frost, Matthew↗

Rational synthesis of high-performance Ni-rich layered oxide cathode enabled via probing solid-state lithiation evolution

Lithium (Li)-ion batteries using nickel (Ni)-rich layered oxide cathode have been pursued with interest due to high practical energy density. A fundamental understanding of the reaction pathways and structural evolution of the solid-phase synthesis of these materials is crucial for their rational design and process development for mass production. In this work, structural evolution during solid-state synthesis was traced via in situ technique, with a particular emphasis on the lithiation reaction and migration of transition metal (TM) ions. The sintering process is governed by the competitive relationship of decomposition and lithiation reactions, which can be regulated through temperature windows. Controlling the melting point of the Li sources, as well as their affinity to cathode precursors, is highly desired to maintain the layered ordering of TM ions throughout the whole synthesis process, which simplifies the manufacturing process and improves the quality of the manufactured cathode material.

25 ENERGY STORAGE↗