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At least 145 records · Page 8

Uranium Attenuated by a Wetland 50 Years after Release into a Stream

: Wetlands have several important roles in the hydrological cycle, including maintaining water quality by removing surface and groundwater contaminants. Over time, the wetlands themselves can become contaminated, posing a secondary environmental threat. The objective of this study was to calculate the inventory of uranium (U) remaining in a wetland 50 years after the Fuel Fabrication Facility on the Savannah River Site located in South Carolina released 43.5 Mg of U into the nearby environment. Over 232 700 gamma spectra and their associated global positioning system (GPS) coordinates were collected and collated into a map of the contaminated land area. Five core samples were also collected that contained U concentrations as high as 14 099 mg/kg (background levels are about 2.7 mg/kg U). The contaminated area was 278 000 m2 , and it contained 36.2 Mg U, about 83% of the U released. About 80% of the U in the wetland was concentrated in a former beaver pond, a 73 000 m2 area (26% of the contaminated area). This contaminated wetland area was almost 2 km from the source, indicating that it comprised unique hydro-biogeochemical properties for immobilizing the released U. To the best of our knowledge, this is the first data-rich study to quantify the long-term effectiveness of a wetland to immobilize inorganic contaminants. Significant environmental changes to the system, such as those associated with hydrology, forest fires, or anthropogenic land use, may alter the complex hydro-biogeochemical interactions necessary for the long-term immobilization of the U.

Contaminant inventory↗

NSRC makes vital vintage films accessible to today's weapons researchers

A few years ago, archivists at the Lab’s National Security Research Center (NSRC) rediscovered 65 special reels of nitrate motion picture film among the 20,000 film reels in the NSRC’s collections. Because nitrate film stock was discontinued in 1951, they realized that the films contained footage from the Lab’s earliest days of nuclear testing. However, nitrate film is highly toxic and flammable. Confirming this hunch would have to wait until the NSRC team devised a strategy for safely preserving and digitizing the reels. Now, after many months of planning and collaboration with LANL fire safety and industrial hygiene teams, the reels – which include footage from Operation Sandstone, Operation Ivy, and the Trinity test – have been digitized by the NSRC archivist team and are accessible to today’s researchers.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Western Interconnect Transmission Line Wildfire Risk

The datasets contain wildfire risk probabilities for transmission lines in the Western Interconnect, identified only by the HIFLD dataset identifier. The dataset is generated using PNNL's WREST Tool (https://www.pnnl.gov/projects/wildfire-risk-resilience/tools/wrest). The input dataset includes HIFLD datasets on transmission lines and wildfire burn potentials and flame lengths from the PNNL RADR-FIRE Tool for 2025.

psps↗

Geochemistry, volumetric water content, and active layer depths from rainfall simulations at the Kougarok Fire Site, Seward Peninsula, Alaska, 2022

Rainfall frequency and intensity is expected to increase in the Arctic, with potential implications for permafrost thaw and geochemical fluxes in soils. To conduct controlled rainfall experiments at remote field sites in the Arctic, the Next-Generation Ecosystem Experiments Arctic Rainfall Simulator (NARS) was developed at Los Alamos National Laboratory as part of the NGEE Arctic project. To better understand how rainfall may affect interflow biogeochemistry and permafrost thaw, rainfall simulations were performed on the Seward Peninsula of Alaska during late September and early October 2022 at the Kougarok Fire Site near mile marker 86 of the Nome-Taylor Highway. Water samples were collected before, during, and after rainfall simulations until interflow had ceased. Additional data collected included soil pore water samples from macrorhizons, active layer depths, and volumetric water content at each of the experimental plots. This dataset contains one *.csv file of water sample properties, one *.csv file of thaw depths, one *.csv file of soil moisture measurements, and one *.kml file of the locations where samples were collected.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Temperature-Dependence of Corrosion of Ni-Based Superalloys in Hot CO 2 -Rich Gases Containing SO 2 Impurities

Future power plants will require Ni-based superalloys resistant to high-temperature corrosion in CO 2 -rich environments containing impurities. In this work, several commercially available Ni-based alloys (617, 230, 625, 263, 740H) were exposed at 600°C, 650°C, 750°C and 1 atm to 95% CO 2 , 4% H 2 O, 1% O 2 without/with 0.1% SO 2 to simulate compositions expected in a direct-fired supercritical CO 2 power cycle. The results indicate no effect of SO 2 at 750°C, a small negative effect at 650°C, and a large negative effect at 600°C. Alloys exposed at the higher temperatures (650–750°C) formed thin Cr-rich oxide scales, whereas the lowest temperature (600°C) resulted in thicker scales consisting of non-protective oxides and sulfates. Thermodynamic analysis indicates this increased corrosion is associated with a transition in the stable compounds in contact with the gas. Understanding the factors that affect this transition will aid in the selection or design of alloys for future CO 2 -based power systems.

36 MATERIALS SCIENCE↗

Automated defect identification in electroluminescence images of solar modules

Solar photovoltaic (PV) modules are susceptible to manufacturing defects, mishandling problems or extreme weather events that can limit energy production or cause early device failure. Trained professionals use electroluminescence (EL) images to identify defects in modules, however, field surveys or inline image acquisition can generate millions of EL images, which are infeasible to analyze by rote inspection. Here, we develop a rapid automatic computer vision pipeline (~0.5 seconds/module) to analyze EL images and identify defects including cracks, intra-cell defects, oxygen-induced defects, and solder disconnections. Defect identification is achieved with a machine learning model (Random Forest, ResNet models and YOLO) trained on 762 manually-labeled EL images of PV modules. We compare model performance on an imbalanced real-world validation set containing 134 EL images and determine that ResNet18 and YOLO are the optimal models; we next evaluated these models on a dedicated testing set (129 module images) with resulting macro F1 scores of 0.83 (ResNet18) and 0.78 (YOLO). Using a field EL survey of a PV power plant damaged in a vegetation fire, we analyze 18,954 EL images (2.4 million cells) and inspect the spatial distribution of defects on the solar modules. The results find increased frequency of ‘crack’, ‘solder’ and ‘intra-cell’ defects on the edges of the solar module closest to the ground after fire. We also find an abnormal increase of striation rings on cells which were assumed to be caused mainly in fabrication process. Our methods are published as open-source software. It can also be used to identify other kinds of defects or process different types of solar cells with minor modification on models by transfer learning.

14 SOLAR ENERGY↗

Molecular-Level Overhaul of y-Aminopropyl Aminosilicone/Triethylene Glycol Post-Combustion CO2-Capture Solvents

Capturing carbon dioxide (CO2) from post-combustion gas streams is an energy-intensive process that is required prior to either converting or sequestering CO2. There are a few commercial offerings of 1st and 2nd generation aqueous amine technologies, however the cost of capturing CO2 with these technologies remains high. To decrease costs of capture, researchers are designing efficient solvent systems with the goal of being drop-in replacements for 1st and 2nd generation infrastructure. One approach has seen the development of water-lean solvents that aim to increase efficiency by reducing the water content in solution. Water-lean solvents such as GE’s GAP/TEG are promising technologies, with potential to halve the parasitic load to a coal-fired power plant, only if the intrinsically high solution viscosities and hydrolysis of the siloxane moieties could be mitigated. We present here, an integrated multidisciplinary approach to overhaul the GAP/TEG solvent system at the molecular level to mitigate hydrolysis while also reducing viscosity. We present molecular-level insights into chemical speciation of CO2-containing ions, showing that co-solvents and diluents have a negligible effect on reducing viscosity and are not needed. This finding allowed for the design of singlecomponent siloxane-free diamine derivatives with site-specific incorporation of selective chemical moieties for direct placement and orientation of hydrogen bonding to reduce viscosity. Ultimately, we present new single-component diamine formulations less susceptible to hydrolysis that exhibit up to a 98% reduction in viscosity compared to the initial GAP/TEG formulation.

Cantu Cantu, David↗

ICME for Creep of Ni-Base Superalloys in Advanced Ultra-Supercritical Steam Turbines

The goal of this project contains three major aspects: (1) critical assessment of existing experimental data, (2) critical assessment of existing modeling capabilities and (3) development of new modeling capabilities that are critical but currently missing in predicting long-term creep behavior of Ni-base superalloys used in advanced ultra- supercritical (A-USC) steam turbines for coal-fired power plants. The project uses advanced materials informatics to datamine the experimental data, uncertainty quantification tools to rigorously assess existing creep-life models, and integration of phase-field and FFT-based crystal plasticity to develop a multi-scale, physics-based, microstructure-sensitive creep model.

20 FOSSIL-FUELED POWER PLANTS↗

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Version 4.1 Technical Reference Manual

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, methane, and propane systems. HyRAM+ is designed to facilitate the use of state-of-the-art models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impacts on people. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards, and to provide developed models in a publicly-accessible toolkit usable by all stakeholders. This document provides a description of the methodology and models contained in HyRAM+ version 4.1. The two most significant changes for HyRAM+ version 4.1 from HyRAM+ version 4.0 are direct incorporation of unconfined overpressure into the QRA calculations and modification of the models for cryogenic liquid flow through an orifice. In QRA mode, the user no longer needs to input peak overpressure and impulse values that were calculated separately; rather, the unconfined overpressure is estimated for the given system inputs, leak size, and occupant location. The orifice flow model now solves for the maximum mass flux through the orifice at constant entropy while conserving energy, which does not require a direct speed of sound calculation. This does not affect the mass flow for all-gaseous releases; the method results in the same speed of sound for choked flow. However, this method does result in a higher (and more realistic) mass flow rate for a given leak size for liquid releases than was previously calculated.

08 HYDROGEN↗

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Version 5.0 Technical Reference Manual

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, natural gas, and autogas systems. HyRAM+ is designed to facilitate the use of state-of-the-art models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ integrates deterministic and probabilistic models for quantifying leak sizes and rates, predicting physical effects, characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impacts on people. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards, and to provide developed models in a publicly-accessible toolkit usable by all stakeholders. This document provides a description of the methodology and models contained in HyRAM+ version 5.0. The most significant change for HyRAM+ version 5.0 from HyRAM+ version 4.1 is the ability to model blends of different fuels. HyRAM+ was previously only suitable for use with hydrogen, methane, or propane, with users having the ability to use methane as a proxy for natural gas and propane as a proxy for autogas/liquefied petroleum gas. In version 5.0, real natural gas or autogas compositions can be modeled as the fuel, or even blends of natural gas with hydrogen. These blends can be used in the standalone physics models, but not yet in the quantitative risk assessment mode of HyRAM+.

03 NATURAL GAS↗

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Version 5.1 Technical Reference Manual

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, natural gas, and autogas systems. HyRAM+ is designed to facilitate the use of state-of-the-art models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ integrates deterministic and probabilistic models for quantifying leak sizes and rates, predicting physical effects, characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impacts on people. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards, and to provide developed models in a publicly-accessible toolkit usable by all stakeholders. This document provides a description of the methodology and models contained in HyRAM+ version 5.1. The most significant changes for HyRAM+ version 5.1 from HyRAM+ version 5.0 are updated default leak frequency values for propane, new default component counts for different fuel types, and an improved fuel specification view in the graphical user interface.

02 PETROLEUM↗

Summer Student Internship: Experimental and modeling experiences

My internship at the Los Alamos National Laboratory has been an information-filled summer. Loren Espada-Castillo brought me into her project and helped mentor and guide me through the summer. The project that I was brought into was the process of shooting materials with electrons. The electron beam we used conducts a series of shots in which electrons are generated and then fired towards a target, the sample holder. The sample holder holds either a single sample or three samples. The sample holder also consists of multiple calorimeters surrounding the sample/s. The goal is to shoot certain materials and then analyze how they react to the exposure of the electrons. We shot titanium, which was meant to serve as a containment vessel window.

36 MATERIALS SCIENCE↗

Organic Matter Composition in June 2023 and September 2023 Across the McKenzie Sub-Basin Impacted by the 2020 Holiday Farm Fire

This dataset represents results from a field study aiming to understand the variability in post-fire responses of dissolved organic matter and determine drivers of post-fire responses. Samples were collected at 58 sites within the McKenzie River Watershed (Oregon, USA) that were upstream, within, and downstream of the Holiday Farm Fire burn perimeter. The samples were collected in June 2023 and September 2023 during storm events, approximately 3 years post-fire. Samples were characterized for benezenepolycarboxylic acids (BPCA) and ultra-high resolution mass spectrometry. Dissolved organic carbon and optics (absorbance and fluorescence) data can be found in a separate data packages (https://ir.library.oregonstate.edu/concern/datasets/zc77sz60m, https://ir.library.oregonstate.edu/concern/datasets/mc87q034m). Related data from a subset of sites from 2020-2022 can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1869708 and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/2478546. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset contains (1) file-level metadata; (2) data dictionary; (3) data package readme; (4) metadata; (5) methods information; (6) benzene polycarboxylic acid (BPCA) concentration data; (7) Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) methods; (8) folder of high resolution characterization of organic matter via 12 Tesla FTICR-MS data generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This package contains the following file types: csv, xml, pdf.

54 ENVIRONMENTAL SCIENCES↗

BayoTech Risk and Modeling Support

This white paper describes the work performed by Sandia National Laboratories in the New Mexico Small Business Agreement with BayoTech. BayoTech is a hydrogen generation and distribution company that is located in Albuquerque, NM. Their goal is to distribute hydrogen via their hydrogen systems which utilize the core design that was developed by Sandia. However, because the hydrogen economy is in its nascency, the safety and operation of the generating systems require independent validation. Additionally, in their pursuit of permitting at various locations around the nation, they require fire protection engineering support in discussions with local fire marshals and neighboring industrial entities. Sandia National Laboratories has subject matter expertise in hydrogen risk modeling of consequence (overpressure and dispersion) as well as fire protection engineering. Throughout this project, Sandia has worked with BayoTech to provide our expertise in these subject areas to facilitate the market entry of their hydrogen generation project to address the dire need for decarbonization due to climate change. The general approach of the support by Sandia is outlined in the main body, while the location specific evaluation for the Port of Stockton is contained in Appendix A.

08 HYDROGEN↗

Efficient First-Order Algorithms for Large-Scale, Non-Smooth Maximum Entropy Models with Application to Wildfire Science

Maximum entropy (MaxEnt) models are a class of statistical models that use the maximum entropy principle to estimate probability distributions from data. Due to the size of modern data sets, MaxEnt models need efficient optimization algorithms to scale well for big data applications. State-of-the-art algorithms for MaxEnt models, however, were not originally designed to handle big data sets; these algorithms either rely on technical devices that may yield unreliable numerical results, scale poorly, or require smoothness assumptions that many practical MaxEnt models lack. In this paper, we present novel optimization algorithms that overcome the shortcomings of state-of-the-art algorithms for training large-scale, non-smooth MaxEnt models. Our proposed first-order algorithms leverage the Kullback–Leibler divergence to train large-scale and non-smooth MaxEnt models efficiently. For MaxEnt models with discrete probability distribution of n elements built from samples, each containing m features, the stepsize parameter estimation and iterations in our algorithms scale on the order of O(mn) operations and can be trivially parallelized. Moreover, the strong ℓ1 convexity of the Kullback–Leibler divergence allows for larger stepsize parameters, thereby speeding up the convergence rate of our algorithms. To illustrate the efficiency of our novel algorithms, we consider the problem of estimating probabilities of fire occurrences as a function of ecological features in the Western US MTBS-Interagency wildfire data set. Our numerical results show that our algorithms outperform the state of the art by one order of magnitude and yield results that agree with physical models of wildfire occurrence and previous statistical analyses of wildfire drivers.

Physics↗

Dissipative Dark Substructure: The Consequences of Atomic Dark Matter on Milky Way Analog Subhalos

Using cosmological hydrodynamical zoom-in simulations, we explore the properties of subhalos in Milky Way analogs that contain a subcomponent of atomic dark matter (ADM). ADM differs from cold dark matter (CDM) due to the presence of self-interactions that lead to energy dissipation, analogous to standard model baryons. This model can arise in dark sectors that are natural and theoretically motivated extensions to the standard model. The simulations used in this work were carried out using GIZMO and utilize the FIRE-2 galaxy formation physics in the standard model baryonic sector. For the parameter points we consider, the ADM gas cools efficiently, allowing it to collapse to the center of subhalos. This increases a subhalo's central density and affects its orbit, with more subhalos surviving small pericentric passages. The subset of subhalos that host satellite galaxies have cuspier density profiles and smaller stellar half-mass radii relative to CDM. The entire population of dwarf galaxies produced in the ADM simulations is more compact than those seen in CDM simulations, unable to reproduce the entire diversity of observed dwarf galaxy structures. Additionally, we also identify a population of highly compact subhalos that consist nearly entirely of ADM and form in the central region of the host, where they can leave distinctive imprints in the baryonic disk. This work presents the first detailed exploration of subhalo properties in a strongly dissipative dark matter scenario, providing intuition for how other regions of ADM parameter space, as well as other dark sector models, would impact galactic-scale observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Leveraging automotive fuel cells can supply zero-emission peak power in the near-term

An increasingly decarbonized yet resilient power grid requires the corresponding build-out of dispatchable zero-emission resources to supply peak power. However, there is a recognized dearth of solutions which can serve multi-day peak demand events both cost-effectively and with near-term deployability. Here, we find that pairing low-cost automotive fuel cells with hydrogen storage in salt caverns can serve as a peaker plant at less than 500 US$/kW at present, a fraction of the cost of conventional fossil fuel-fired peakers. We demonstrate the peaker’s value for long duration storage by comparing it with pumped hydro and assessing its profitability within Texas’ energy-only market region. Although deployment of these peakers is constrained by the presence of salt caverns, we show that a number of sites in the United States and Europe are endowed with suitable salt formations, while utilizing hydrogen storage in pressurized containers could form a location-agnostic peak power solution.

25 ENERGY STORAGE↗

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) (Technical Reference Manual V.4)

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, methane, and propane infrastructure and transportation systems. HyRAM+ is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ includes generic probabilities for equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of release and flame physics. HyRAM+ integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impact on people and structures. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards. HyRAM+ is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM+ version 4.0. The most significant change for HyRAM+ version 4.0 from HyRAM version 3.1 is the incorporation of other alternative fuels, namely methane (as a proxy for natural gas) and propane into the toolkit. This change necessitated significant changes to the installable graphical user interface as well as changes to the back-end Python models. A second major change is the inclusion of physics models for the overpressure associated with the delayed ignition of an unconfined jet/plume of flammable gas.

02 PETROLEUM↗