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At least 1,567 records · Page 87

Multiphysics simulation of supercritical CO 2 gasification for hydrogen production

A bench-scale supercritical CO 2 gasifier is being considered by the U.S. Department of Energy’s National Energy Technology Laboratory (NETL). A reacting computational fluid dynamics (CFD) model was developed using ANSYS/Fluent in order to investigate the impact of various operating parameters on syngas composition. The model was validated using available data in the literature. Simulations were conducted over a range of coal-slurry loadings, reaction temperatures, system pressures, and oxygen mass flowrates with the goal of optimizing hydrogen production for the considered reactor. The results from the simulations identified a positive correlation between slurry loading and hydrogen production, while reactor temperature and pressure had a limited impact on H 2 production at the conditions of interest. Additionally, the simulations indicated that oxygen mass flowrate has less of an impact on hydrogen production at higher slurry loadings.

08 HYDROGEN↗

A New Decade in Seismoacoustics (2010–2022)

Several sources of interest often generate both low‐frequency acoustic and seismic signals due to energy propagation through the atmosphere and the solid Earth. Seismic and acoustic observations are associated with a wide range of sources, including earthquakes, volcanoes, bolides, chemical and nuclear explosions, ocean noise, and others. The fusion of seismic and acoustic observations contributes to a better understanding of the source, both in terms of constraining source location and physics, as well as the seismic to acoustic coupling of energy. Here in this review, we summarize progress in seismoacoustic data processing, including recent developments in open‐source data availability, low‐cost seismic and acoustic sensors, and large‐scale deployments of collocated sensors from 2010 to 2022. Similarly, we outline the recent advancements in modeling efforts for both source characteristics and propagation dynamics. Finally, we highlight the advantages of fusing multiphenomenological signals, focusing on current and future techniques to improve source detection, localization, and characterization efforts. This review aims to serve as a reference for seismologists, acousticians, and others within the growing field of seismoacoustics and multiphenomenology research.

58 GEOSCIENCES↗

First principles molecular dynamics maps out complete mineral surface acidity landscape

In “Interfacial structures and acidity constants (pKa) of goethite from first principles molecular dynamics simulations,” authors Y. Zhang, X. Lui, J. Cheng, and X. Lu apply First Principles molecular dynamics (FPMD, also called Density Functional Theory MD, DFT/MD, or ab initio MD, AIMD), to evaluable the complete set of acidity constants (pK a ) of the hydroxyl groups on the most prominent goethite crystal facets. The pK a of these OH and OH$^+_2$ groups are compared with available data from the multisite complexation (MUSIC) model traditionally used to estimate pK a on mineral surfaces. The authors have presented eloquent rationale for the importance and implications of understanding goethite acidity constants in room temperature geochemistry settings. In this paper, I focus on the computational aspects, the strengths of FPMD, and its possibilities.

58 GEOSCIENCES↗

A guide for deploying Deep Learning in LHC searches: How to achieve optimality and account for uncertainty

Deep learning tools can incorporate all of the available information into a search for new particles, thus making the best use of the available data. This paper reviews how to optimally integrate information with deep learning and explicitly describes the corresponding sources of uncertainty. Simple illustrative examples show how these concepts can be applied in practice.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Evaluation of Multi-cell Failure Propagation

Failure propagation testing is of increasing interest to the designers and end users of battery systems. One of the chief difficulties, however, is choosing an appropriate initiation method to perform the test. Single cell abuse testing is typically used to initiate thermal runaway but this can involve a large amount of additional energy injected into the system. It is assumed that this will have some impact on the behavior of a propagating thermal runaway event, but there is little data available as to how significant this would be. Further, it is ultimately difficult to develop viable propagation tests for compliance and public safety activities without better knowledge of how test methods will impact the results. This work looks at propagating battery failure with a variety of chemistries, formats, configurations and initiation methods to determine the level of significance of the chosen initiation method on the test results. We have ultimately found while there is some impact on the detailed results of propagation testing, in most cases other factors, particularly the energy density of the system play a much greater role in the likelihood of a propagation event consuming an entire battery. We have also provided some guidelines for test design to support best practices in testing.

25 ENERGY STORAGE↗

Characterization of Uranium Foil Irradiations at the WSU TRIGA Reactor Using a New Reactor Model in Scale

A new reactor model of the Washington State University TRIGA was developed in the SCALE neutron transport code, and its fidelity was verified by comparison to MCNP and available data for several reactor parameters. The model was used to characterize irradiations designed to produce the short-lived actinides 237 U and 239 U, two key isotopes for nuclear forensics. These short-lived actinides, their decay daughters 237Np and 239Pu, and total fissions (via 99 Mo) were measured in irradiated foils at Los Alamos National Laboratory and other labs with good agreement among parent/daughter pairs and among labs. The laboratory-measured isotope ratios were used as a benchmark for the model determination of reaction rates. The flux distribution in the foils was also determined. Finally, using the continuous energy TSUNAMI-3D module of SCALE, a sensitivity/uncertainty analysis was performed to determine the effects on foil reactions caused by other system-wide reactions and by uncertainties in the known cross-sections.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Benchmarking Utility-Scale PV Operational Expenses and Project Lifetimes: Results from a Survey of U.S. Solar Industry Professionals

This paper draws on a survey of solar industry professionals and other sources to clarify trends in the expected useful life and operational expenditure (OpEx) of utility-scale photovoltaic (PV) plants in the United States. Solar project developers, sponsors, long-term owners, and consultants have increased project-life assumptions over time, from an average of ~21.5 years in 2007 to ~32.5 years in 2019. Current assumptions range from 25 years to more than 35 years depending on the organization; 17 out of 19 organizations surveyed or reviewed use 30 years or more. Levelized, lifetime OpEx estimates have declined from an average of ~$\$$35/kW DC -yr for projects built in 2007 to an average of ~$\$$17/kW DC -yr in 2019. Across 13 sources, the range in average lifetime OpEx for projects built in 2019 is broad, from $\$$13 to $\$$25/kW DC -yr. Operations and maintenance (O&M) costs—one component of OpEx—have declined precipitously in recent years, to $\$$5-8/kW DC -yr in many cases. Property taxes and land lease costs are highly variable across sites, but on average are—together—of similar magnitude. Other OpEx line items include security, insurance, and asset management. Given 2007-2009 values for not only project life and OpEx but also other drivers of the levelized cost of energy (LCOE, excluding the investment tax credit), the LCOE for utility-scale PV projects built from 2007 through 2009 averaged $\$$305 /MWh. Using 2019 values for all parameters yields an average LCOE of $\$$51 /MWh. The decline in LCOE from $\$$305 /MWh to $\$$51 /MWh was predominantly caused by reductions in up-front expenditures (and, to a much lesser extent, by changes in capacity factors, financing costs, and tax rates), but 9% ($\$$22 /MWh) of the overall decline is due to improvements in project life and OpEx. Project life extensions and OpEx reductions have had similarly sized impacts on LCOE over this period, at $\$$11 /MWh each. Had project life and OpEx not improved over the last decade, LCOE in 2019 would have instead been $\$$73 /MWh—43% higher. Given the limited quantity and comparability of previously available data on these cost drivers, the data and trends presented here may inform assumptions used by electric system planners, modelers, and analysts. The results may also provide useful benchmarks to the solar industry, helping developers and assets owners compare their expectations for project life and OpEx with those of their peers.

14 SOLAR ENERGY↗

2020 State of the Science Report, Chapter 4: Risk to Marine Animals from Underwater Noise Generated by Marine Renewable Energy Devices

In all ocean environments, desirable locations for wave and tidal energy development have multiple natural sources of sound (e.g., waves, wind, and sediment transport), varying levels of anthropogenic and biological noise, and measurement quality challenges (e.g., flow-noise, self-noise). Many marine animals rely on sound for biological functions, including communication, social interaction, orientation, foraging, and evasion. The extent to which marine animals detect and produce sound varies by frequency (spanning roughly four decades from 10 Hz to 100 kHz) and is taxa-specific. Because of the relatively limited data available, hearing sensitivity is often generalized to taxonomic groups (e.g., cetaceans that have low-frequency hearing specialization). https://tethys.pnnl.gov/publications/state-of-the-science-2020-chapter-4-underwater-noise

54 ENVIRONMENTAL SCIENCES↗

Equations of State in Computational Physics: What, Why, and How

Summary: 1. Equations of state furnish thermodynamic properties of a material. 2. Usually involve P, p (or V), and T, or P, r, and E 3. Necessary ingredient to solve compressible flow problems. 4. Varieties: i. Analytical expressions (ideal gas, Grüneisen) – fast, convenient for verification and test problems ii. Graphs and charts – good for hand calculations iii. Tables and databases – generally most accurate, require interpolation i. Steam tables ii. NIST database iii. SESAME EOS Library 5. Constructed by using semi-empirical models from Statistical Mechanics and fitting to available data

36 MATERIALS SCIENCE↗

Dissolution of Fluoride Salts in Hanford Tank Waste

The Direct Feed High-Level Waste (DFHLW) strategy seeks to bypass the Hanford Waste Treatment and Immobilization Plant Pretreatment Facility while retaining some processing functions to maximize waste feed loading and minimize high-level waste (HLW) waste volume. The DFHLW flowsheet needs leaching, washing, and solids concentration operations either in new or existing tanks. The effectiveness and efficiency of sludge washing has a substantial impact on DST space, mission duration, and the evaporation and low-activity waste (LAW) treatment operations required by these large wash-water additions. One target species requiring washing is fluoride. The HLW glass composition limits for fluorine drive operations to dissolve fluoride-bearing salts into the LAW fraction and thereby maximize waste loading in HLW glass. The fluoride in many high-level wastes at Hanford is predominantly in the form of fluoride-salt precipitates: villiaumite (NaF), kogarkoite (Na 3 FSO 4 ), and natrophosphate (Na 7 F(PO 4 ) 2 ·19H 2 O). Fluoride produces melter off-gas that creates corrosion risk in the off-gas system piping, while the sulfate and phosphate in the fluoride double salts kogarkoite and natrophosphate can be detrimental to glass waste loading. Fluoride salts are sparingly soluble, with solubilities ranging from approximately 40 to 130 kg per kL of pure water, and the dissolution kinetics of the three fluoride salts are not well known. Unexpected delays in a tank dissolution process could be encountered as a result of the lack of information about dissolution rates. In addition, if the double salts show transient non-stoichiometric dissolution of fluoride versus phosphate or sulfate, unexpectedly high concentrations of one of these other constituents could be produced. Washington River Protection Solutions authorized Pacific Northwest National Laboratory to collect the available data for fluoride salt dissolution rate, provide a scoping estimate of dissolution time if possible, and identify gaps in the understanding and predictive capability for estimating dissolution time. Open literature and Hanford reports were reviewed to document, understand, and (where possible) evaluate limitations on fluoride salt equilibria and dissolution kinetics, including both mass transport and surface reaction rate. Scoping estimates of dissolution time were made for mass-transfer-controlled dissolution of spherical particles of fluoride salts suspended in liquid. This is not the only potential governing mechanism; dissolution could be substantially slower if the surface reaction rate (the rate of release of ions from the surface) is the controlling mechanism. When the minimum amount of water for complete dissolution is used and the slip velocity between the liquid and suspended particles is less than or equal to the terminal settling velocity, the estimated mass-transfer rates allow 0.1 mm particles of fluoride salt to dissolve in minutes at 25 °C in water containing no other dissolved salts. Much larger solids, such as the 6-mm chunks that have been seen in heels, could take a few hours to more than a week to dissolve. The actual dissolution times will depend strongly on the actual slip velocity, the extent of particle suspension, constraint by surface reaction rates, the ratio of solvent to solid, and the presence of common ions that shift the solubility equilibria to restrict dissolution of fluoride salts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Metallic Fuel Benchmark Simulations Based on the X430 Experiments

To gauge the accuracy of current BISON metallic fuel performance models and identify models that require further development, Oak Ridge National Laboratory has developed benchmark problems based on two pins of the X430 experiment. These benchmarks recreate the experimental conditions of the X430 series of experiments with as much accuracy as possible given the available data. The benchmarks were implemented in the BISON nuclear fuel performance code and the simulation results were compared with the experimental results to quantify the simulation accuracy. Findings in this work were consistent with previous benchmark problems. The temperature profiles, burnup, and fission gas behavior were all as accurate as can reasonably be expected. The cladding radial growth was accurate enough to not affect the results of other measurements. The fuel axial growth was accurate for U-Zr fuel but not for U-Pu-Zr fuel, which appears to be caused by a lack of U-Pu-Zr data. Swelling correlations have not been developed for U-Pu-Zr fuel because there were not enough data on this fuel type, so BISON used the U-Zr correlations. Finally, recommendations were made for near-term BISON development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Iodine Flowsheet Status Report

A simplified flowsheet was developed to evaluate the impact of varied assumptions of I-129 decontamination factors on the overall I-129 material balance in the Direct Feed Low-Activity Waste (DFLAW) facility. The flowsheet allows inputs for I-129 feed and Decontamination Factors (DFs) for multiple DFLAW unit operations and provides information on I-129 partitioning to output streams. A series of 6 DFs were evaluated, including baseline DFs from a prior Waste Treatment and Immobilization Plant (WTP) study and refined values based on a Savannah River National Laboratory (SRNL) review. The Microsoft Excel flowsheet spreadsheet will be provided to WRPS to allow further evaluation of the impact of DF assumptions on output streams. The spreadsheet is not specific to iodine, the partitioning of any species can be estimated by entering the assumed DFs for each unit operation. Flowsheet outputs matched results from the prior WTP study and show that different assumptions for the DFs can greatly impact iodine partitioning to primary and secondary waste streams. Results from SRNL's baseline DF values suggest less than 50% of I-129 would be retained in glass versus the 96% when using the BNI DF values. In addition, the flowsheet demonstrated that more than 5 DFLAW operational cycles are required to achieve a steady-state of I-129 to the primary waste stream. It is not possible with the data available to determine whether the BNI approach or the approach taken in this study will be a better match for the iodine partitioning once the LAW facility begins operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Genetic Algorithm for Hyperparameter Optimization in Gaussian Process Modeling

A genetic algorithm is developed and applied to optimize hyperparameters of convolutional recursively determined dual neural network-Gaussian process (NNGP) kernels. As a specific application of the combined GPNN-GA algorithm, it is applied to image classification in publicly available data of Hyper Suprime-Cam Subaru Strategic Program. Matthews correlation coefficient is calculated based on results of binary star-galaxy classification and used as a fitting function of the GA module of the algorithm. The simulation results confirm significant improvement of the classification accuracy with optimized hyperparameters.

79 ASTRONOMY AND ASTROPHYSICS↗

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products: 2019 State of Technology and Future Research

The purpose of this report is to benchmark the latest experimental developments across a number of potential bioconversion pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this state of technology, TEA models were run for two separate biological conversion pathways to fuels, based on available data for integrated biomass deconstruction and hydrolysate processing; namely carboxylic acids (primarily butyric acid) and diols (2,3-butanediol [BDO]), reflecting NREL’s recently-published 2018 biochemical design report focused on those two pathways. The models were run across three scenarios for lignin utilization, namely combustion, conversion to coproducts based on “base case” performance with biomass hydrolysate, and conversion to coproducts based on “high” performance demonstrated with model lignin monomer components.

09 BIOMASS FUELS↗

Discovering Blind Geothermal Systems in the Great Basin Region: An Integrated Geologic and Geophysical Approach for Establishing Geothermal Play Fairways: All Phases

Most geothermal resources in the Great Basin region of the western USA are blind, and thus the discovery of new commercial-grade systems requires synthesis of favorable characteristics for geothermal activity. The geothermal play fairway concept involves integration of multiple parameters indicative of geothermal activity to identify promising areas for new development. This project integrated multiple datasets to apply the play fairway concept and assess geothermal potential in a large region of the Great Basin in Nevada. It is therefore referred to as the Nevada play fairway project. This project was a strong collaborative effort between several organizations, led by the Nevada Bureau of Mines and Geology at the University of Nevada, Reno, but with key support from the U.S. Geological Survey, ATLAS Geosciences, Inc,, Hi-Q Geophysical, Inc., Lawrence Berkeley National Laboratory, Utah Geological Survey, and Innovative Geothermal Ltd. In Budget Period 1 of this project, available data for nine geologic, geochemical, and geophysical parameters were initially synthesized to produce a new detailed geothermal potential map of 96,000 km2 from west-central to eastern Nevada. These parameters were grouped into subsets and individually weighted to delineate rankings for local permeability, intermediate permeability, regional permeability, and thermal potential, which collectively defined geothermal play fairways (i.e., most likely locations for significant geothermal fluid flow). This initial work was aimed at reducing the risks in regional exploration and therefore facilitating discovery of new commercial-grade systems in blind settings, as well as in areas with surface expressions of geothermal activity. Budget Period 2 of the project involved detailed analysis of some of the most promising areas identified in Phase 1. Twenty-four highly prospective areas, including both known undeveloped systems and previously undiscovered potential blind systems, were identified for further analysis. After reconnaissance of these areas, five of the most promising sites were selected for detailed studies. Multiple techniques were employed in the detailed studies, including geologic mapping, shallow temperature surveys, gravity surveys, Lidar, geochemical studies, seismic reflection analysis, and 3D modeling. The goal of the detailed studies was to identify specific areas with the highest likelihood for high permeability and thermal fluids, such that drill sites could be targeted. Three main sets of predictive maps were generated for each detailed study area: 1) play fairway maps, 2) play fairway error maps, and 3) direct evidence maps. Local- and intermediate-scale permeability models were revised to reflect results of the detailed geologic, geophysical, and geochemical analyses. Budget Period 3 of the project involved more detailed geophysical analyses and temperature-gradient (TG) drilling in southeastern Gabbs Valley and northern Granite Springs Valley, deemed the two most promising sites, with the goal of providing preliminary validation of the play fairway methodology. In southeastern Gabbs Valley, the collocation of a favorable structural setting (displacement transfer zone and fault intersections), Quaternary faults, intersecting and terminating gravity gradients, magnetic low, shallow (2 m) temperature anomaly, low resistivity anomaly, and promising geothermometry from nearby water wells provided evidence for a blind system. Drilling of six TG holes defines an apparent geothermal system at this locality with temperatures as high as 124°C at 152 m. This system is blind, with no surface hot springs, fumaroles, or paleo-geothermal deposits. For northern Granite Springs Valley, a favorable structural setting (termination of a major Quaternary normal fault), terminating gravity gradient, magnetic gradient, newly discovered sinter deposits, nearby warm water wells, previously drilled TG holes in the vicinity, and promising geothermometry suggest a hidden system. Drilling of six new TG holes yields temperatures of ~96°C at ~250 m, suggesting the presence of a geothermal system. Major lessons learned in the course of this project include: 1) initially identified sites commonly include multiple favorable structural settings at a finer scale; 2) promising sites in Cenozoic basins cannot be recognized without detailed geophysical surveys; and 3) play fairway analysis should be refined as the exploration program vectors into the most promising sites and finer-scale data are acquired. In addition to producing copious amounts of data, this project resulted in 16 published papers, 10 abstracts, more than 40 presentations across the U.S. and abroad (including several keynote addresses), 2 Masters theses, and 7 media reports.

15 GEOTHERMAL ENERGY↗

Pumped Storage Hydropower FAST Commissioning Technical Analysis

This report is designed to address barriers and solutions to modern pumped storage hydropower (PSH) development by establishing baseline project development knowledge, defining key aspects of project development, and identifying opportunities to reduce project timelines, costs, and risks. This report’s scope includes post-licensing activities and excludes factors related to permitting or licensing. The U.S. PSH fleet is composed of 43 projects providing the majority (95%) of utility-scale electricity storage in the US. However, only one new PSH facility has become operational in the past 20 years. Several factors contribute to diminishing PSH growth in the US, including the magnitude of project costs and financing interest during development and construction; the length of time from project investment until project revenue; permitting challenges and construction risks; competition from other storage technologies; and unrecognized energy storage valuation. Although innovative PSH concepts (including underground, small, and modular systems) have been investigated, widespread application has yet to occur. In short, the time, cost, and risk associated with modern PSH development has resulted in limited recent growth in the United States, despite the rising energy storage demand from increased deployment of variable renewable technologies. To address these challenges, the US Department of Energy’s (DOE) Water Power Technologies Office initiated the PSH Furthering Advancements to Shorten Time to (FAST) Commissioning project, aimed at catalyzing new solutions, designs, and strategies to accelerate PSH development. This report uses available data from previous license applications, ongoing project cost data, and other global PSH project information based on a typical closed-loop PSH project.

13 HYDRO ENERGY↗

Marine Energy in the United States: An Overview of Opportunities

This report provides a concise and consolidated overview of the Unites States’ marine energy resources . The results reported herein are primarily based on U.S. Department of Energy (DOE)-funded marine energy resource assessments in the following technology areas: wave, tidal currents, ocean currents, ocean thermal gradients, and river currents. This report also incorporates recent updates and refinements to the U.S. wave and tidal resource assessments performed by the national labs. Many of these refinements were undertaken to address feedback from the National Research Council’s evaluation of the original resource assessments (National Research Council 2013). Further, this report refines the analysis that has been published to date by identifying the marine energy resources available in each U.S. state or region to the extent practical. In short, this report summarizes the best available data on U.S. marine energy resources at the state, regional, and national scales.

13 HYDRO ENERGY↗

Monitoring Radiochemical Processing Streams for the 238 Pu Supply Program with Process Pulse II

Oak Ridge National Laboratory (ORNL) is developing advanced spectroscopic and real-time monitoring capabilities to improve the timeliness of analytical measurements and process decisions for the 238Pu Supply Program. Reducing the time, resources, and costs associated with each production campaign is critical because overlapping campaigns will be required to meet the production goals of the National Aeronautics and Space Administration. Real-time, in situ analytical measurements in the heavily shielded hot cells at the Radiochemical Engineering Development Center (REDC) will allow for rapid process information feedback and operational benefits that help the 238Pu supply program scale-up production efforts. Noteworthy steps were taken during Campaign 5 to establish the ability to monitor processing streams in real time with spectrophotometry and a commercially available online monitoring software called The Unscrambler X Process Pulse II (PP) multivariate statistical process monitoring system by Camo Analytics (version 5.60). PP automates univariate-type calculations within the software itself and executes multivariate models built using The Unscrambler X (version 10.4 or newer). The Unscrambler is a commercially available data analysis software made by the same company. PP is composed of easy-to-use-tools for all personnel, including data scientists and technicians. The software can be used to plot analyte concentration profiles, spectral data, and other process variables in real time. All process data are represented in a single view with interactive charts useful for viewing how a process evolves over time.

07 ISOTOPE AND RADIATION SOURCES↗