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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14

COWALKER:EFFECTIVE TRANSPORT PROPERTIES OF COMPOSITE MATERIALS

SF-23-026 This software computes effective transport properties of composite materials involving fibers and nanoparticles using a random-walk algorithm that efficiently scales to an arbitrary number of processes and cores. Effective transport properties (thermal, electrical) are key to bridge the microstructure of complex materials with its macroscopic behavior. Traditional approaches either use effective medium approximations (closed mathematical expressions that are approximation for certain conditions) or continuum simulation models such as finite element or finite volume, which require the generation of a mesh for each configuration explored. cowalker leverages the equivalence between laplacian or heat equation-based models and random walks to compute the asymptotic transport properties from an ensemble of first sojourn times of a random walker moving through the composite material. This allows us to directly define a composite material as a collection of particles and use algorithms developed for molecular dynamics to quickly compute the intersection of the walker with the different interfaces in the material. cowalker is developed in C++, and it relies on the GNU Scientific Library for random generation. cowalker is currently delivered as source code, so the GSL library is not included in cowalker's distribution. A more userfriendly version, cowalker.jl is currently in development and will be released as part of cowalker.

YANGUAS-GIL, ANGEL↗

TACPLUS-DO-AUTH

SF-23-084 This software provides enhanced authorization and access control support to be used in tandem with the open source Terminal Access Controller Access Control System (TACACS+) software tac_plus; providing Authentication, Authorization and Auditing (AAA) capabilities for networking devices.

WEST, GABRIALA↗

PYGRIFFIN

SF-23-061 A Python package that provides a streamlined interface to Griffin along with support for integration with PyARC and Workbench.

KIESLING, KALIN↗

Dynamic Transmission Line Switching Amid Wildfire-Prone Weather Under Decision-Dependent Uncertainty

During dry and windy seasons, environmental conditions significantly increase the risk of wildfires, exposing power grids to disruptions caused by transmission line failures. Wildfire propagation exacerbates grid vulnerability, potentially leading to prolonged power outages. To address this challenge, we propose a multistage optimization model that dynamically adjusts transmission grid topology in response to wildfire propagation, aiming to develop an optimal response policy. By accounting for decision-dependent uncertainty, where line survival probabilities depend on usage, we employ distributionally robust optimization to model uncertainty in line survival distributions. We adapt the stochastic nested decomposition algorithm and derive a deterministic upper bound for its finite convergence. To enhance computational efficiency, we exploit the Lagrangian dual problem structure for a faster generation of Lagrangian cuts. Using realistic data from the California transmission grid, we demonstrate the superior performance of dynamic response policies against two-stage alternatives through a comprehensive case study. In addition, after solving the multistage formulation, we construct easy-to-implement policies that significantly reduce computational burden while maintaining good performance in real-time deployment. History: Accepted by Russell Bent, Area Editor for Network Optimization: Algorithms and Applications. Funding: This work was supported by the U.S. Department of Energy, Office of Electricity [Grant DE-AC02-05CH11231]. The work of R. Jiang was supported in part by the U.S. National Science Foundation, Division of Electrical, Communications and Cyber Systems [Grant ECCS-1845980] and the U.S. Air Force Office of Scientific Research [Grant FA9550-23-1-0323]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2025.1210 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2025.1210 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

Estrada-Garcia, Juan-Alberto↗

Single-shot measurement of the nonlinear refractive index of air at 92 µm with a picosecond terawatt CO 2 laser

We developed a simple, accurate single-shot method to determine the nonlinear refractive index of air by measuring the evolution of the spatial shape of a laser beam propagating through the atmosphere. A distinctive feature of this new method, which relies on a modified Fresnel propagation model for data analysis, is the use of a hard aperture for producing a welldefined, high-quality beam from a comparatively nonuniform quasi-flat-top beam which is typical for highpeak-power lasers. The nonlinear refractive index of air for a very short (2 ps) long-wave infrared (LWIR) laser pulse was measured for the first time, yielding n 2 = 3.0 × 10 -23 m 2 /W at 9.2 µm. This result is 40% lower than a corresponding measurement with longer (200 ps) LWIR pulses at a similar wavelength.

43 PARTICLE ACCELERATORS↗

A Phenome-Wide Association Study of genes associated with COVID-19 severity reveals shared genetics with complex diseases in the Million Veteran Program

The study aims to determine the shared genetic architecture between COVID-19 severity with existing medical conditions using electronic health record (EHR) data. We conducted a Phenome-Wide Association Study (PheWAS) of genetic variants associated with critical illness (n = 35) or hospitalization (n = 42) due to severe COVID-19 using genome-wide association summary data from the Host Genetics Initiative. PheWAS analysis was performed using genotype-phenotype data from the Veterans Affairs Million Veteran Program (MVP). Phenotypes were defined by International Classification of Diseases (ICD) codes mapped to clinically relevant groups using published PheWAS methods. Among 658,582 Veterans, variants associated with severe COVID-19 were tested for association across 1,559 phenotypes. Variants at the ABO locus (rs495828, rs505922) associated with the largest number of phenotypes (n rs495828 = 53 and n rs505922 = 59); strongest association with venous embolism, odds ratio (OR rs495828 1.33 (p = 1.32 x 10 –199 ), and thrombosis OR rs505922 1.33, p = 2.2 x10 -265 . Among 67 respiratory conditions tested, 11 had significant associations including MUC5B locus (rs35705950) with increased risk of idiopathic fibrosing alveolitis OR 2.83, p = 4.12 × 10 –191 ; CRHR1 (rs61667602) associated with reduced risk of pulmonary fibrosis, OR 0.84, p = 2.26× 10 –12 . The TYK2 locus (rs11085727) associated with reduced risk for autoimmune conditions, e.g., psoriasis OR 0.88, p = 6.48 x10 -23 , lupus OR 0.84, p = 3.97 x 10 –06 . PheWAS stratified by ancestry demonstrated differences in genotype-phenotype associations. LMNA (rs581342) associated with neutropenia OR 1.29 p = 4.1 x 10 –13 among Veterans of African and Hispanic ancestry but not European. Overall, we observed a shared genetic architecture between COVID-19 severity and conditions related to underlying risk factors for severe and poor COVID-19 outcomes. Differing associations between genotype-phenotype across ancestries may inform heterogenous outcomes observed with COVID-19. Divergent associations between risk for severe COVID-19 with autoimmune inflammatory conditions both respiratory and non-respiratory highlights the shared pathways and fine balance of immune host response and autoimmunity and caution required when considering treatment targets.

59 BASIC BIOLOGICAL SCIENCES↗

Classification of River Catchments in the Contiguous United States: Code, Dataset, Similarity Patterns, and Resulting Classes

This dataset serves as supplementary information for the paper by Ciulla F. and Varadharajan C. A Network Approach for Multiscale Catchment Classification using Traits (see reference 1). It contains environmental and physical catchment traits, such as temperatures, precipitation, land use and human interference, from 9067 sites across the contiguous United States (CONUS). The purpose of this dataset is to provide information for a better trait-based categorization of river catchments in the CONUS using networks as an analytical tool. The traits variables match the ones present in the GAGES-II dataset and the preprocessing steps are described in the Methods section (processed_dataset.csv). Additionally we include the topologies (nodes, edges and clusters, also referred as classes) of the catchment network and traits network generated by said dataset (csv and json files). A series of tables support the information carried by the network providing more detailed descriptions of cluster components (SI1.pdf). A summary of all the plots of clusters of catchments with at least 50 nodes is provided (SI2.pdf). The characteristic traits for each cluster of catchments is presented as z-score (traits_categories_zscores_per_catchment_class.csv). The link to the hydrological behavior of clusters of catchments is displayed by boxplots, each describing a particular river discharge index (SI3.pdf). Both csv and json files can be read by common text editors but the data contained into them can be better handled using programming languages like python and database oriented libraries like pandas. Pdf files can be read by any pdf reader software.[02-23-2024] Update: The code and datasets necessary to reproduce the results of the study are available as a zipped repository (code_datasets_catchments_similarity.zip).

54 ENVIRONMENTAL SCIENCES↗

Weather data at The Morton Arboretum 2017-2023

We have been monitoring long-term weather patterns using two weather stations at The Morton Arboretum to link environmental conditions to tree growth and other tree responses. This data package contains weather data at The Morton Arboretum from 2017-08-23 to 2023-12-31; data is located in the "MortonWeatherData2017_2023.csv" file. The two weather stations are located on each side of The Arboretum (e.g., the Nursery station on the East side and the Ware Field station on the West side; the two weather stations are 3.23 km apart and coordinates are included in the "Location_metadata.csv" file). Measured variables include rain accumulation, air temperature, relative humidity, three soil moisture/temperature measurements at various depths (10, 30, and 50 cm for the Nursery weather station, and 10, 25, and 50 cm for the Ware Field), solar radiation, saturation vapor pressure, and vapor pressure deficit.

54 ENVIRONMENTAL SCIENCES↗

Upper-air soundings collected during the CROCUS Urban Canyons 2024 campaign in Chicago, Illinois USA

Funded by the Department of Energy’s Office of Science, Biological and Environmental Research program, Community Research on Climate and Urban Science (CROCUS) studies urban climate change and the impact it has on communities, with particular focus on disinvested, under-resourced communities. This information leads to new insights on urban climate challenges and informs future actions for mitigating and adapting to climate change at the street, neighborhood and regional levels.As part of the CROCUS effort, the Urban Canyons 2024 project was undertaken to study conditions at unprecedented detail over various neighborhoods in Chicago, Illinois. This dataset consists of upper air soundings that were collected as part of this effort. Soundings were launched during two intensive observing periods, IOP1 occurred on 22-23 July 2024, while IOP2 occurred on 27-28 July 2024. For IOP1, soundings were launched at coordinated times from three sites, Shedd Aquarium in Downtown Chicago, Abizu Campus High School in Humboldt Park, and Gary Comer Youth Center in West Woodlawn. For IOP2, the Gary Comer site was replaced by a neighborhood site in West Woodlawn, Chicago. The Abizu Campos site was operated by Valparaiso University and used iMET-4 rawinsondes, the other sites were operated by the University of Illinois Urbana-Champaign and used GRAW DFM-19 sondes.This dataset contains netCDF files containing quality-controlled temperature, dewpoint, geopotential height, pressure, and vector wind measurements at 1 second intervals following launch. These files are readable by the open-source netCDF software libraries available in many software packages (i.e., python, R, fortran, C++, etc.). The dataset also contains quicklook plots of each launch on a skew-T log-p thermodynamic diagram. These are in png format viewable by most web browsers.

54 ENVIRONMENTAL SCIENCES↗

SPRUCE FT-ICR MS, Bulk Chemistry, and Mass Loss from Litter Decomposition Study in Experimental Plots, Marcell Experimental Forest, Minnesota, 2015-2017

This dataset contains molecular, bulk chemical, and mass loss measurements from a litter decomposition study at the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experimental site within the Marcell Experimental Forest in northern Minnesota, USA. This site is in a Sphagnum spp. ombrotrophic bog forest. Litterbags were deployed into the peat in September 2015 across three warming levels (+0, +4.5, and +9°C) under ambient and elevated carbon dioxide (CO₂ - +500 ppm) and retrieved after roughly 0.5, 1, and 2 years of field incubation (2015-09-23 to 2017-08-02). Litterbags containing six peatland litter types: black spruce needles (Picea mariana - SPL), spruce fine roots (SPR), Sphagnum angustifolium (ANG), Sphagnum magellanicum (MAG), Labrador tea leaves (Rhododendron groenlandicum - LTL), and Labrador tea roots (LTR). Molecular composition of water-soluble organic matter extracts was characterized using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) at 9.4 Tesla, operated in negative ion mode with electrospray ionization, providing molecular formula assignments and compound-class distributions across the decomposition time series. Bulk chemical characterization included elemental analysis (percent carbon, nitrogen, and phosphorus) and Fourier Transform Infrared Spectroscopy (FTIR) to quantify functional group composition. Litter mass loss was tracked gravimetrically at each retrieval interval, expressed as percent mass remaining relative to initial dry mass for each litter type and treatment combination. These data are valuable for understanding how vegetation shifts driven by increased atmospheric CO2 and temperature in peatlands alter litter inputs and organic matter stabilization trajectories, with implications for projecting and modeling peatland carbon cycling. This dataset contains two data files in comma-separated value (.csv) format. Additional metadata are provided: two data dictionaries and a file-level metadata file in comma separate (.csv) format and a user guide in PDF (*.pdf) format.

decomposition↗

Materials Data on CaP3H16(NO4)3 by Materials Project

CaP3H2O11(NH4)2NH6O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four 51847-23-5 molecules; eight ammonium molecules; and two CaP3H2O11 sheets oriented in the (0, 1, 0) direction. In each CaP3H2O11 sheet, Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.33–2.44 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CaO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of P–O bond distances ranging from 1.52–1.66 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–50°. There are a spread of P–O bond distances ranging from 1.53–1.66 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+ and two H1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on H9C8NO9 by Materials Project

(CO)2(H(CO)2)3NH6O crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 51847-23-5 molecules, sixteen formaldehyde molecules, and twenty-four methanol with formaldehyde molecules.

36 MATERIALS SCIENCE↗

Dryland feedbacks to future climate change: how species mortality and replacement will affect coupled biogeochemical cycles and energy balance (Final Technical Report)

The overall goal of the dryland climate manipulation experiment is to improve our understanding and ability to forecast dryland responses to increasing temperatures and altered precipitation regimes. Drylands cover over 40% of Earth’s terrestrial surface and are predicted to increase in size 11-23% by 2100. Yet our understanding of this vast biome, which exchanges enormous amounts of CO 2 and energy with the atmosphere, is exceedingly poor. This project aims to transform and improve that understanding in order to reduce uncertainty and increase the confidence with which we can make global predictions of future climate. We focus on both above- and belowground processes, and explore temperature controls over critical aspects of carbon and nutrient cycling for dryland plants, soil, and microbes. We have 60 climate manipulation plots where plants (from above the canopy) and soils are warmed using infrared lamps and where precipitation has been altered using targeted watering regimes. We have measured myriad aspects of plant physiology, morphology, carbon exchange, energy exchange, and phenology, as well as analogous climate-induced changes to biological soil crusts and soil microbial communities. Our goals are to investigate temperature responses and acclimation potential of dryland plant and soil processes. Concurrent soil incubation experiments complement the in-situ soil warming component and enable more controlled mechanistic investigations of temperature response on microbial function. Automated soil CO 2 efflux chambers within the plots provide phenomenal opportunity to improve our understanding of dryland CO 2 exchange with the atmosphere and are coupled with plant CO 2 exchange measurements. The project has been exceptionally successful, with 35 peer-reviewed publications (and more in review), including in high-profile journals such as Nature Climate Change and PNAS. We have given over fifty presentations on the work and it has been featured in many high-profile media outlets, such as Discover Magazine and on NPR.

54 ENVIRONMENTAL SCIENCES↗

Notes from the GEM Chair

We certainly live in unusual and quite challenging times, and we hope everyone is healthy and doing well. For the first time in almost 30 years, because of the current COVID-19 crisis, the GEM Steering Committee decided to cancel the in-person GEM Summer Workshop and organize a virtual meeting in its place. The Virtual GEM will occur during the same week as the originally scheduled in-person workshop, July 20-23, with Monday July 20 as the student day. We will try to maintain the original format of GEM as much as possible, with plenary sessions in the morning, Focus Group breakout sessions in the afternoon, and poster sessions in the evening. Please provide your full support to the meeting organizers to help make this first VGEM a great success! As of now, we still plan to hold the GEM 2021 summer workshop in Hawaii from July 26-30, 2021, with a GEM student day on July 25. This workshop will be back-to-back with SHINE (to occur at the same hotel the week after GEM) - please consider attending both!

54 ENVIRONMENTAL SCIENCES↗

Two Delayed Critical 15-Inch-Diameter Interacting Enriched (93.14) Uranium Metal Cylinders without Moderator and Reflector

This report documents very accurately the configuration and the materials for experiments with two unmoderated, unreflected, interacting, coaxial, highly enriched, 15-in.-diameter, uranium metal cylinders performed at the Oak Ridge Critical Experiments Facility (ORCEF) in May to Aug 1963 and described in logbook E-19 and E -20 associated with experiments in the East cell of ORCEF. Measurements were also performed in April and May of 1965 and described in logbooks E-22 and E-23 The information is sufficiently accurate that it can be used as the basis for preparation of benchmarks for International Criticality Safety Benchmark Program (ICSBEP) at Idaho National laboratory. The thickness of the cylinders was varied and the spacing between them was adjusted to achieve a delayed critical configuration. The average enrichment of the uranium metal was 94.14 wt. % 235 U. The heights of the 15-in.-diameter, equal-height cylinders varied from 1-5/8 to 3.0-inches. All interacting cylinders were assembled coaxially with their flat faces parallel and their combined masses varied between 182 and 325 kilograms of HEU metal. The data from these 12 experiments described would be acceptable for use as criticality safety benchmark experiments for the ICSBEP and EURATOM’s Nuclear Energy Agency nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, it is expected that the uncertainties in k eff could be as low as ± 0.0002.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NNSA-IAEC Science Area V Environmental ISR: Waste Management and Subsurface Science (Final Report FY18-FY20)

In August 2017, the U.S. National Nuclear Security Administration (NNSA) and the Israel Atomic Energy Commission (IAEC) launched a joint waste management program to evaluate the feasibility of siting a radioactive waste repository at intermediate depths in Israel. The bilateral collaboration involves three National Laboratories (LLNL, LANL, and Sandia), and the Nuclear Research Center, Negev, Geological Survey of Israel, and Ben Gurion University in Israel. This research is designed to assist with the evaluation of locations for an intermediate nuclear waste repository in Israel. This final report is a high-level summary of the results from the past three years by the team that worked on the WM-2: Radionuclide colloid-facilitated transport in fractured carbonate rock project for Science Area V, Environmental ISR: Subsurface Science and Waste Management. We have completed all of our tasks and met all of our milestones. MW-2 had three integrated tasks. Task 1 was laboratory experiments investigating colloid transport of radionuclides in natural fractured carbonate rocks from the Avdat formation, Israel. Task 2 was field experiments injecting radionuclide analogues pre-sorbed to clay colloids into fractured carbonate rock, and task 3 was numerical modeling of laboratory and field experimental results to assess the importance of colloids in the migration of relevant radionuclides. This task was incorporated into tasks 1 and 2. A 4 th task was initiated in FY20, to investigate the role of organics in facilitating radionuclide transport under the same conditions explored in task 1 due to the high organic content of the rocks being investigated for the immediate borehole locations. Preliminary results will be summarized here and the work will continue in FY21-23. The overall objective of this research is to evaluate the role of colloids (naturally occurring < 1 micron particles) in facilitating the transport of long-lived radionuclides from a nuclear waste repository situated in fractured carbonate rocks. Currently little data exists on radionuclide transport in carbonate rocks, but this is the main rock type available for siting a repository in Israel. Laboratory experiments were carried out in both Israel and the U.S., field experiments have taken place in Israel, and reactive transport modeling involved LLNL, LANL and Israel partner institutions. LLNL hosted a graduate student, Emily Tran, from Ben Gurion University in FY18 and FY19 and much of the work presented here was part of her PhD research.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Properties, Theory, and Measurements for Understanding the Function of Heavy Elements (Project 20180474CR, Final Technical Report)

The FY18-20 Laboratory Directed Research and Development (LDRD) funded Properties, Theory, and Measurements for Understanding the Function of Heavy Elements Project aim has been to advance heavy element science in a comprehensive project connecting targeted research with Los Alamos mission imperatives. The mechanisms for project implementation were (1) support of a multi-year broad-based postdoctoral fellows project, (2) a summer student fellows research project and two seminar series, and (3) organization of structured workshops and integrated educational and career development opportunities. The project was successfully administered by the Glenn T. Seaborg Institute (GTSI) for Transactinium Science and has shown to be an exceptional investment in supporting the Los Alamos National Laboratory (LANL) mission areas requiring heavy element and actinide science by attracting and funding the future generation of scientists and engineers. This project exhibited its value across the laboratory in heavy element and actinide science areas include materials, material properties, signatures, modeling, predictions, fabrication, detection, disposal, global security implications, forensics, and the specialized science surrounding plutonium, uranium, and their surrogates as fuels for energy and nuclear weapons. In this report, the GTSI project staff documents the “high return on investment” implementation as measured against the successes of previous actinide research and science-based projects and as evidenced by the retention of 30% of G.T. Seaborg Postdoctoral Fellows as permanent employees. With additional funding through LDRD Reserve funding during this project period, the GTSI expanded its support for heavy element and actinide science research with a Visiting Research Seaborg Scholar and a Rapid Response Small Projects call. These innovations have served to advance GTSI pursuits as communicated in our FY21-23 LDRD Proposal Project#: 20210527CR Seaborg Institute: Center for Advancing Actinide Science and Technology at LANL

36 MATERIALS SCIENCE↗