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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Expanding the access of wearable silicone wristbands in community-engaged research through best practices in data analysis and integration

Wearable silicone wristbands are a rapidly growing exposure assessment technology that offer researchers the ability to study previously inaccessible cohorts and have the potential to provide a more comprehensive picture of chemical exposure within diverse communities. However, there are no established best practices for analyzing the data within a study or across multiple studies, thereby limiting impact and access of these data for larger meta-analyses. We utilize data from three studies, from over 600 wristbands worn by participants in New York City and Eugene, Oregon, to present a first-of-its-kind manuscript detailing wristband data properties. We further discuss and provide concrete examples of key areas and considerations in common statistical modeling methods where best practices must be established to enable meta-analyses and integration of data from multiple studies. Finally, we detail important and challenging aspects of machine learning, meta-analysis, and data integration that researchers will face in order to extend beyond the limited scope of individual studies focused on specific populations.

Bramer, Lisa M.↗

DOE OSTI2023

Data to Accompany: Expanding the access of wearable silicone wristbands in community-engaged research through best practices in data analysis and integration

Bramer, Lisa M↗

DOE OSTI2021

Integrated sample-handling and mounting system for fixed-target serial synchrotron crystallography

Serial synchrotron crystallography (SSX) is enabling the efficient use of small crystals for structure–function studies of biomolecules and for drug discovery. An integrated SSX system has been developed comprising ultralow background-scatter sample holders suitable for room and cryogenic temperature crystallographic data collection, a sample-loading station and a humid `gloveless' glovebox. The sample holders incorporate thin-film supports with a variety of designs optimized for different crystal-loading challenges. These holders facilitate the dispersion of crystals and the removal of excess liquid, can be cooled at extremely high rates, generate little background scatter, allow data collection over >90° of oscillation without obstruction or the risk of generating saturating Bragg peaks, are compatible with existing infrastructure for high-throughput cryocrystallography and are reusable. The sample-loading station allows sample preparation and loading onto the support film, the application of time-varying suction for optimal removal of excess liquid, crystal repositioning and cryoprotection, and the application of sealing films for room-temperature data collection, all in a controlled-humidity environment. The humid glovebox allows microscope observation of the sample-loading station and crystallization trays while maintaining near-saturating humidities that further minimize the risks of sample dehydration and damage, and maximize working times. This integrated system addresses common problems in obtaining properly dispersed, properly hydrated and isomorphous microcrystals for fixed-orientation and oscillation data collection. Its ease of use, flexibility and optimized performance make it attractive not just for SSX but also for single-crystal and few-crystal data collection. Fundamental concepts that are important in achieving desired crystal distributions on a sample holder via time-varying suction-induced liquid flows are also discussed.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Global symmetry and integral constraint on superconformal lines in four dimensions

We study properties of point-like impurities preserving flavor symmetry and supersymmetry in four-dimensional 𝒩 = 2 field theories. At large distances, such impurities are described by half-BPS superconformal line defects. By working in the AdS 2 × S 2 conformal frame, we develop a novel and simpler way of deriving the superconformal Ward identities relating the various two-point functions of flavor current multiplet operators in the presence of the defect. We use these relations to simplify a certain integrated two-point function of flavor current multiplet operators that, in Lagrangian theories, can be computed using supersymmetric localization. The simplification gives an integral constraint on the two-point function of the flavor current multiplet superconformal primary with trivial integration measure in the AdS 2 × S 2 conformal frame. We provide several consistency checks on our Ward identities.

extended supersymmetry↗

DOE OSTI2026

N -Terminal Octylated Peptoid Hydrogels as 3D-Printable Cell Scaffolds and Proteolytically Robust Cargo Depots

Supramolecular hydrogels that mimic the extracellular matrix (ECM) represent promising materials for tissue engineering and drug delivery. However, conventional hydrogels formed via the self-assembly of natural or synthetic building blocks often face a trade-off between biological functionality and biochemical stability, limiting their utility in long-term or protease-rich environments. Peptoids, a class of peptide-inspired, sequence-defined polymers, offer a compelling alternative due to their exceptional proteolytic resistance and bioactivity. Despite this potential, the development of supramolecular peptoid hydrogels has been hindered by the absence of backbone hydrogen bond donors, which limits long-range ordering necessary for efficient hydrogel formation. This work describes a short peptoid functionalized at the N-terminus with an octyl chain that readily self-assembles into hydrogels. Hydrophobic interactions among pendant octyl groups promote directional peptoid packing into highly ordered nanosheets, which interconnect to form a porous hydrogel network. These hydrogels exhibit tunable viscoelasticity, shear-thinning, and self-healing properties, enabling their use as inks for extrusion-based 3D printing. They support NIH-3T3 fibroblast adhesion, spreading, and proliferation, maintaining greater than 95% cell viability over 4 days. Moreover, the hydrogels retain their macroscopic integrity under protease-rich conditions, enabling sustained cargo release and uniform cellular uptake. Together, this study demonstrates a class of supramolecular peptoid hydrogelators that integrate biocompatibility, 3D printability, and proteolytic stability, providing a versatile platform for ECMmimetic scaffolds in regenerative medicine and long-term therapeutic delivery.

cargo delivery↗

DOE OSTI2024

Reversible Methane Electrochemical Reactors as Efficient Energy Storage for Fossil Power

The overall objective of the project was to conduct a comprehensive Research & Development (R&D) program to demonstrate the suitability and future advancement and integration of reversible methane protonic ceramic electrochemical reactors (PCERs) as an efficient Energy Storage System (ESS) with fossil fuel power plants. Fundamental process and system models are developed to conduct a preliminary conceptual study and investigate the power plant system integration requirements, performance requirements, and technical and non-technical gaps for eventual implementation at system level. Technology maturation requirements is also investigated through identifying the critical technical elements and networking with industrial technology developers and end-users.

08 HYDROGEN↗

DOE OSTI2024

Time projection chamber for GADGET II

The established Gaseous Detector with Germanium Tagging (GADGET) detection system is used to measure weak, low-energy 𝛽-delayed proton decays. It consists of the Gaseous Proton Detector equipped with a MICROMEGAS (MM) readout to detect protons and other charged particles calorimetrically, surrounded by the Segmented Germanium Array (SeGA) for high-resolution detection of prompt 𝛾 rays. To upgrade GADGET's Proton Detector to operate as a compact time projection chamber (TPC) for the detection, three-dimensional imaging and identification of low-energy 𝛽-delayed single- and multiparticle emissions mainly of interest to astrophysical studies. A new high granularity MM board with 1024 pads has been designed, fabricated, installed, and tested. A high-density data acquisition system based on generic electronics for TPCs (GET) has been installed and optimized to record and process the gas avalanche signals collected on the readout pads. The TPC's performance has been tested using a 220 Rn 𝛼-particle source and cosmic-ray muons. In addition, decay events in the TPC have been simulated by adapting the attpcroot data analysis framework. Furthermore, a novel application of two-dimensional convolutional neural networks for GADGET II event classification is introduced. The optimization of data throughput is also addressed. The GADGET II TPC is capable of detecting and identifying 𝛼 particles as well as measuring their track direction, range, and energy. The extracted energy resolution of the GADGET II TPC using P10 gas is about 5.4% at 6.288 MeV ( 220 Rn 𝛼 events), computed using charge integration. Based on a systematic simulation study, we estimated the detection efficiency of the GADGET II TPC for protons and 𝛼 particles, respectively. It has also been demonstrated that the GADGET II TPC is capable of tracking minimum-ionizing particles (i.e., cosmic-ray muons). From these measurements, the electron drift velocity was measured under typical operating conditions. In addition to being one of the first generation of micropattern gaseous detectors (MPGDs) to utilize a resistive anode applied to low-energy nuclear physics, the GADGET II TPC will also be the first TPC surrounded by a high-efficiency array of high-purity germanium 𝛾-ray detectors. As a result, the TPC of GADGET II has been designed, fabricated, and tested and is ready for operation at the Facility for Rare Isotope Beams for radioactive-beam-line experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Nanoarchitectonic Semiconductor–Bio Hybrid Systems with Enhanced Charge Transfer for Hydrogen Peroxide Production

Nanoarchitectonics offers a systematic approach to creating an artificial framework by integrating different multiscale components such as semiconductor lattices and biological substances. However, most nanoarchitectonic abiotic-biotic hybrid systems have intrinsic limitations in imparting nonequilibrium biological features into semiconductor lattices at the nanoscale. Here, in this study, we report a new nanoarchitectonic system integrating bismuth oxychloride (BiOCl) nanosheets with purple membrane (PM) patches. PM is an archaeal subcellular fraction capable of unidirectionally transferring photogenerated charge carriers to its surroundings at the nanoscale independent of archaeal metabolism and retaining this dynamic functionality after isolation from living archaea. Microscopy, spectroscopy, electrochemical, and synchrotron X-ray scattering analyses verify that the nanoarchitectonic hybridization between BiOCl and PM generates a vertical heterostructure, thereby enhancing photogenerated charge-carrier dynamics and enabling the associated photocatalytic capacity. The resulting PM-BiOCl hybrid nanosheets efficiently convert dioxygen into hydrogen peroxide through a two-electron and two-proton transfer process under ambient conditions while simultaneously converting ethylene glycol into value-added chemicals. This study presents a nanoarchitectonic approach that leverages the photogenerated charge-carrier dynamics of the archaeal subcellular fractions to modulate the optoelectronic and catalytic capacity limitations of semiconductors.

catalysis↗

DOE OSTI2021

Tightly-coupled camera/LiDAR integration for point cloud generation from GNSS/INS-assisted UAV mapping systems

Unmanned aerial vehicles (UAVs) equipped with integrated global navigation satellite systems/inertial navigation systems (GNSS/INS) together with cameras and/or LiDAR sensors are being widely used for topographic mapping in a variety of applications such as precision agriculture, coastal monitoring, and archaeological documentation. Integration of image-based and LiDAR point clouds can provide a comprehensive 3D model of the area of interest. For such integration, ensuring a good alignment between data from the different sources is critical. Although many works have been conducted on this topic, there is still a need for a rigorous integration approach that minimizes the discrepancy between camera and LiDAR data caused by inaccurate system calibration parameters and/or trajectory artifacts. This study proposes an automated tightly-coupled camera/LiDAR integration workflow for GNSS/INS-assisted UAV systems. The proposed strategy is conducted in three main steps. First, an image-based point cloud is generated using a LiDAR/GNSS/INS-assisted structure from motion (SfM) strategy. Then, feature correspondences between image-based and LiDAR point clouds are automatically identified. Finally, an integrated-bundle adjustment procedure including image points, LiDAR raw measurements, and GNSS/INS information is conducted to minimize the discrepancy between point clouds from different sensors while estimating system calibration parameters and refining the trajectory information. The proposed SfM strategy and integration framework are evaluated using five datasets. The SfM results show that using LiDAR data can facilitate feature matching and further increase the number of reconstructed 3D points. The experimental results also illustrate that the developed automated camera/LiDAR integration strategy is capable of accurately estimating system calibration parameters to achieve good alignment among camera/LiDAR data from single/multiple systems. Finally, an absolute accuracy in the range of 3–5 cm is achieved for the image/LiDAR point clouds after the integration process.

42 ENGINEERING↗

DOE OSTI2021

Heavy-Duty Electric Fleet Depot Charging Load Profiles & Substation Load Integration Assessment Results

This data set includes the 24-hour fleet depot charging load profiles (15-min. average demand) and substation load integration assessment results produced for the study, "Heavy-Duty Truck Electrification and the Impacts of Depot Charging on Electricity Distribution Systems", published in 2021 (https://doi.org/10.1038/s41560-021-00855-0). The code developed to generate these load profiles is publicly available at https://github.com/NREL/hdev-depot-charging-2021. Please cite as: Borlaug, B., Muratori, M., Gilleran, M., Woody, D., Muston, W., Canada, T., Ingram, A., Gresham, H., and McQueen, C., (2021). "Heavy-Duty Truck Electrification and the Impacts of Depot Charging on Electricity Distribution Systems". https://doi.org/10.1038/s41560-021-00855-0.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

The structural plasticity of nucleic acid duplexes revealed by WAXS and MD

Double-stranded DNA (dsDNA) and RNA (dsRNA) helices display an unusual structural diversity. Some structural variations are linked to sequence and may serve as signaling units for protein-binding partners. Therefore, elucidating the mechanisms and factors that modulate these variations is of fundamental importance. While the structural diversity of dsDNA has been extensively studied, similar studies have not been performed for dsRNA. Because of the increasing awareness of RNA’s diverse biological roles, such studies are timely and increasingly important. We integrate solution x-ray scattering at wide angles (WAXS) with all-atom molecular dynamics simulations to explore the conformational ensemble of duplex topologies for different sequences and salt conditions. These tightly coordinated studies identify robust correlations between features in the WAXS profiles and duplex geometry and enable atomic-level insights into the structural diversity of DNA and RNA duplexes. Notably, dsRNA displays a marked sensitivity to the valence and identity of its associated cations.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Telecom-Wavelength Single-Photon Emitters in Multilayer InSe

The development of robust and efficient single-photon emitters (SPEs) at telecom wavelengths is critical for advancements in quantum information science. Two-dimensional (2D) materials have recently emerged as promising sources for SPEs, owing to their high photon extraction efficiency, facile coupling to external fields, and seamless integration into photonic circuits. In this study, we demonstrate the creation of SPEs emitting in the 1000–1550 nm near-infrared range by coupling 2D indium selenide (InSe) with strain-inducing nanopillar arrays. The emission wavelength exhibits a strong dependence on the number of layers. Hanbury Brown and Twiss experiments conducted at 10 K reveal clear photon antibunching, confirming the single-photon nature of the emissions. In conclusion, density-functional-theory calculations and scanning-tunneling-microscopy analyses provide insights into the electronic structures and defect states, elucidating the origins of the SPEs.

2D Material↗

DOE OSTI2020

Grimsel Test Site - A Successful International Underground Research Laboratory for Many Decades - 20429

For more than 35 years, Nagra and its partners from around the world have been conducting underground research projects at the Grimsel Test Site (GTS, www.grimsel.com) to contribute to the development and confirmation of safe geological disposal concepts and for the characterization of suitable host rock formations. Over the years, the results of this internationally recognized research program have been, and continue to be, incorporated directly into exploration programs, modelling, safety, and engineering feasibility studies on options for deep geological repositories. Each project of the GTS program involves field-testing, laboratory studies, design and modelling tasks, and integrates all scientific and technical aspects. Each project phase is planned with a duration of three to five years to facilitate practical and administrative aspects and allow flexibility for updating the overall project plans with the latest findings. Scientific and engineering interaction among the different projects is ensured via an international steering committee meeting. Hosting an IAEA level C radiation- controlled zone, which allows use of radionuclides, including actinides such as thorium, uranium, neptunium, plutonium and americium, in in-situ experiments is one of the reasons why GTS also developed as a center of excellence for work with radioactive tracers under realistic in-situ boundary conditions. Last year, a new five-year program (2019 to 2023) started which includes projects with a planning horizon of decades. The new five-year program includes a new phase of in-situ experiments using radionuclides such as migration experiments in the Colloid Formation and Migration project (CFM), the Long-Term Diffusion experiment (LTD) and the newly established C-14 and I-129 Migration in cement project (CIM). The 'High Temperature effects on Bentonite' (HotBENT) project is starting in the current phase and is studying the effects of elevated temperatures (>175 deg. C) on bentonite materials. As a generic underground research laboratory (URL) it is expected that the GTS will provide in the coming years a platform for international collaboration, knowledge development and knowledge transfer for the next generation of scientists and engineers in the area of radioactive waste disposal and geosciences. A key role regarding knowledge transfer and training is provided by the well-established Grimsel Training Center (GTC), which (beside many URL related issues) also covers many general aspects of radioactive waste management. In this paper we provide an overview of the current program at the GTS, focusing on the experiments that study the migration of radionuclides through engineered barrier materials and the geosphere. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Ion Size Effects on the Thermodynamic, Kinetic, and Mechanical Properties during Ion Exchange in Solid-State Electrolytes

Ion exchange offers a pathway to impose residual compressive stresses to mitigate the electro-chemo-mechanical cracking of solid-state electrolytes such as lithium lanthanum zirconium oxide. This study uses a coupled multiscale framework (integrating density functional theory (DFT), molecular dynamics (MD), and continuum modeling) to examine how exchange ion size influences stress, diffusion, fracture toughness, and electronic properties. Larger isovalent ions (Na + , Ag + , K + ) were exchanged with Li + , with DFT confirming their preference for octahedral 96h sites and a linear relationship between ion size and chemical free expansion coefficient. MD simulations reveal stress and concentration effects on exchange ion diffusivity at elevated temperatures, with Na + and Ag + maintaining favorable mobility while K + showing concentration-dependent clustering. Continuum modeling predicts the range of fracture strength improvements and the required ion exchange concentration profile. It was shown that a 5% surface exchange concentration can induce ∼0.6 GPa of surface compressive stress using Na + and ∼1.0 GPa of surface compressive stress using Ag + . On the other hand, larger ion exchange species may penalize Li + diffusivity by increasing the activation volume and activation energy. Interestingly, Na + has a negligible penalty on Li-ion diffusivity. The room temperature Li + ion diffusivity is reduced by ∼40% with Ag + ion exchange. Electronic band structure analysis shows no size-dependent change in the bandgap, though Ag + introduces localized defect states near the valence band maximum. This study highlights ion size as a key factor in optimizing LLZO properties, offering a framework to improve the solid-state battery performance.

Jagad, Harsh D. [Brown Univ., Providence, RI (Unit↗

DOE OSTI2021

Characterizing Long COVID: Deep Phenotype of a Complex Condition

Background: Numerous publications describe the clinical manifestations of post-acute sequelae of SARS-CoV-2 (PASC or "long COVID"), but they are difficult to integrate because of heterogeneous methods and the lack of a standard for denoting the many phenotypic manifestations. Patient-led studies are of particular importance for understanding the natural history of COVID-19, but integration is hampered because they often use different terms to describe the same symptom or condition. This significant disparity in patient versus clinical characterization motivated the proposed ontological approach to specifying manifestations, which will improve capture and integration of future long COVID studies. Methods: The Human Phenotype Ontology (HPO) is a widely used standard for exchange and analysis of phenotypic abnormalities in human disease but has not yet been applied to the analysis of COVID-19. Funding: We identified 303 articles published before April 29, 2021, curated 59 relevant manuscripts that described clinical manifestations in 81 cohorts three weeks or more following acute COVID-19, and mapped 287 unique clinical findings to HPO terms. We present layperson synonyms and definitions that can be used to link patient self-report questionnaires to standard medical terminology. Long COVID clinical manifestations are not assessed consistently across studies, and most manifestations have been reported with a wide range of synonyms by different authors. Across at least 10 cohorts, authors reported 31 unique clinical features corresponding to HPO terms; the most commonly reported feature was Fatigue (median 45.1%) and the least commonly reported was Nausea (median 3.9%), but the reported percentages varied widely between studies. Interpretation: Translating long COVID manifestations into computable HPO terms will improve analysis, data capture, and classification of long COVID patients. If researchers, clinicians, and patients share a common language, then studies can be compared/pooled more effectively. Furthermore, mapping lay terminology to HPO will help patients assist clinicians and researchers in creating phenotypic characterizations that are computationally accessible, thereby improving the stratification, diagnosis, and treatment of long COVID.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Burn propagation in magnetized high-yield inertial fusion

Recent experiments at the National Ignition Facility (NIF) have demonstrated ignition for the first time in an inertial confinement fusion (ICF) experiment, a major milestone allowing the possibility of high energy gain through burn propagation. Use of external magnetic fields, applied primarily to reduce thermal losses, could increase hotspot temperature and ease requirements for ignition, opening up the capsule design space for high energy gain. However, this same restriction of thermal transport has the potential to inhibit burn propagation, which is vital in the attainment of high gain. In this work, radiation-magnetohydrodynamics (MHD) simulations carried out using the code Chimera are used to investigate the effect of a pre-imposed magnetic field on ignition and burn propagation. This paper studies the propagation of burn using both an idealized planar model and in fully integrated 2D MHD simulations of an igniting NIF capsule. A study of magnetized burn propagation in the idealized planar model identifies three regimes of magnetized burn propagation: (1) thermal conduction driven; (2) alpha transport driven; and (3) fully suppressed burn. Simulations of NIF shot N210808 with an applied 40 T axial field show clear indication of burn suppression perpendicular to field lines, with rapid burn observed along field lines. Implosion shape is altered by the field, and anisotropic conduction causes significant modification to the rate of ablation during stagnation. These results highlight the fundamental changes to implosion dynamics in high-yield magnetized ICF and motivate further study to better optimize future magnetized target designs for high gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Structured Neural Network Modeling for Developing Digital Twins Models of Hydropower Generation Units

Dynamic modeling is a key part in the development of digital twin (DT) for dynamic systems. This is true for hydropower systems, where whole system modeling including penstock, turbine and generators, etc is important in realizing actuate modeling for the real systems. On the other hand, in response to the large variations of the power demand due to increased penetration of renewables such as wind and solar, hydropower systems are now required to operate in a large power generation range. This situation triggers the nonlinear characteristics of the generation unit with respect to its models. As such, it is imperative to use data driven modeling such as neural networks to learn the nonlinear dynamics of the hydropower generation unit. To achieve this objective, this study constructs a modeling and learning algorithm integrated with multiple structured neural network models for the modeling of turbine shaft speed, penstock pressure, and generator power output based on the generator power control setpoint, field current, and field voltage. In addition, the study uses the hydropower data from Tacoma Public Utilities to train and validate the proposed neural network algorithm. The results have shown that this structured neural network modeling approach can learn the system dynamics effectively by using the real-time data collected from the hydropower system with the desired modeling results.

Wang, Hong↗

DOE OSTI2025

Environmental Thermodynamic Effects on Future Changes of Mesoscale Convective Systems and Isolated Deep Convection Over the US: A Case Study

Mesoscale convective systems (MCSs) and isolated deep convection (IDC) significantly influence local weather conditions and the hydrological cycle across the United States. Their future changes under warming is critical to the society. However, the exact impacts of thermodynamic environmental changes on them are difficult to resolve using climate model simulations which integrate both dynamic and thermodynamic factors. This study explores a theoretical modeling approach to isolate environmental thermodynamic effects on their future changes through a case study. For a 50-day period during the 2020 summer, a pair of convection-permitting model simulations indicate contrasting changes in MCSs and IDC between inland and coastal regions under pseudo global warming. Driven by the thermodynamic environments of these simulations, a single-column parcel model indicates a decrease in the frequency of IDC occurrences, along with increases in duration and precipitation amount under warming, attributable to rising most unstable convective available potential energy (MUCAPE), convective inhibition (MUCIN), and precipitable water (PW). A multi-column parcel model reveals contrasting changes in the frequency and mean area of MCSs between inland and coastal regions, underscoring the increase in mean MUCIN over inland regions and increases in mean MUCAPE and PW over coastal regions. The increase in mean MCS area over inland regions is linked to the interplay between accelerated gust fronts and enhanced subsidence strength, which is further traced to the unchanged mean MUCIN but increased mean MUCAPE in large-scale environments. In conclusion, these case study results suggest a major role of thermodynamic environmental changes in controlling characteristics of MCSs and IDC under warming.

Mesoscale convective system↗