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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

LLNL Semiannual Wastewater Point Source Monitoring Report (July 2020)

In accordance with the Code of Federal Regulations, Title 40, Part 403.12(e), Lawrence Livermore National Laboratory (LLNL) submits a semiannual monitoring report regarding federally regulated wastewater generating processes (categorical processes) that discharge wastewater to the sanitary sewer system. Attachments A-2 and A-3 of the 2019-2020 Wastewater Discharge Permit #1250 granted to LLNL by the City of Livermore Water Resources Division (WRD) also mandate submission of this report. The LLNL Livermore Site is required to monitor identified electrical and electronic components processes (40 CFR Part 469) and metal finishing processes (40 CFR Part 433) semiannually and to submit monitoring reports in January and July of each year. Under authority delegated to enforce compliance with these regulations, the WRD reviews this report. This report provides information on the significant metal-finishing operations and electrical and electronic component operations located at the Livermore Site during the period from December 1, 2019 through May 31, 2020 and includes descriptions of the LLNL regulated (categorical) processes that discharge to the sanitary sewer. Attachments A-2 and A-3 of the 2019-2020 Wastewater Discharge Permit #1250 provide the list of categorical processes and the required self-monitoring program for point-source discharges at LLNL. The monitoring data collected for this report documents compliance with all federal and local pretreatment limits. Compliance certification accompanies this report, as required by federal regulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Demons in the North Atlantic: Variability of Deep Ocean Ventilation

Abstract Translation of atmospheric forcing variability into the ocean interior via ocean ventilation is an important aspect of transient climate change. On a seasonal timescale in the subtropics, this translation is mediated by a so‐called “Demon” that prevents access to all except late‐winter mixed‐layer water. Here, we use an eddy‐permitting numerical circulation model to investigate a similar process operating on longer (interannual) timescales in the subpolar North Atlantic. We find that variations in atmospheric forcing are mediated in their translation to the ocean interior, with year‐to‐year changes in the late‐winter mixed layer depth being the critical factor. The signature of persistent strong atmospheric forcing driving deep mixed layers is preferentially ventilated to the interior when the forcing is ceased. Susceptibility to this effect depends on the location and density of subduction—with the rate at which newly ventilated water escapes its region of subduction being the crucial factor.

MacGilchrist, G. A.↗
DOE OSTI2021

Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane

Ab Initio Multiple Spawning (AIMS) simulates the excited-state dynamics of molecular systems by representing nuclear wavepackets in a basis of coupled traveling Gaussian functions, called trajectory basis functions (TBFs). New TBFs are spawned when nuclear wavepackets enter regions of strong nonadiabaticity, permitting the description of non-Born–Oppenheimer processes. The spawning algorithm is simultaneously the blessing and the curse of the AIMS method: it allows for an accurate description of the transfer of nuclear amplitude between different electronic states, but it also dramatically increases the computational cost of the AIMS dynamics as all TBFs are coupled. Recently, a strategy coined stochastic-selection AIMS (SSAIMS) was devised to limit the ever-growing number of TBFs and tested on simple molecules. In this work, we use the photodynamics of three different molecules—cyclopropanone, fulvene, and 1,2-dithiane—to investigate (i) the potential of SSAIMS to reproduce reference AIMS results for challenging nonadiabatic dynamics, (ii) the compromise achieved by SSAIMS in obtaining accurate results while using the smallest average number of TBFs as possible, and (iii) the performance of SSAIMS in comparison to the mixed quantum/classical method trajectory surface hopping (TSH)—both in terms of its accuracy and computational cost. We show that SSAIMS can accurately reproduce the AIMS results for the three molecules considered at a much cheaper computational cost, often close to that of TSH. We deduce from these tests that an overlap-based criterion for the stochastic-selection process leads to the best agreement with the reference AIMS dynamics for the smallest average number of TBFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A fatty acid-binding protein of Streptococcus pneumoniae facilitates the acquisition of host polyunsaturated fatty acids

Streptococcus pneumoniae is responsible for the majority of pneumonia, motivating ongoing searches for insights into its physiology that could enable new treatments. S. pneumoniae responds to exogenous fatty acids by suppressing its de novo biosynthetic pathway and exclusively utilizing extracellular fatty acids for membrane phospholipid synthesis. The first step in exogenous fatty acid assimilation is phosphorylation by fatty acid kinase (FakA), whereas bound by a fatty acid-binding protein (FakB). Staphylococcus aureus has two binding proteins, whereas S. pneumoniae expresses three. The functions of these binding proteins were not clear. Here, we determined the SpFakB1- and SpFakB2-binding proteins were bioinformatically related to the two binding proteins of Staphylococcus aureus, and biochemical and X-ray crystallographic analysis showed that SpFakB1 selectively bound saturates, whereas SpFakB2 allows the activation of monounsaturates akin to their S. aureus counterparts. The distinct SpFakB3 enables the utilization of polyunsaturates. The SpFakB3 crystal structure in complex with linoleic acid reveals an expanded fatty acid-binding pocket within the hydrophobic interior of SpFakB3 that explains its ability to accommodate multiple cis double bonds. SpFakB3 also utilizes a different hydrogen bond network than other FakBs to anchor the fatty acid carbonyl and stabilize the protein. S. pneumoniae strain JMG1 (ΔfakB3) was deficient in incorporation of linoleate from human serum verifying the role of FakB3 in this process. Thus, the multiple FakBs of S. pneumoniae permit the utilization of the entire spectrum of mammalian fatty acid structures to construct its membrane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Pore-scale hydrodynamics influence the spatial evolution of bacterial biofilms in a microfluidic porous network

Bacteria occupy heterogeneous environments, attaching and growing within pores in materials, living hosts, and matrices like soil. Systems that permit high-resolution visualization of dynamic bacterial processes within the physical confines of a realistic and tractable porous media environment are rare. In this paper, we use microfluidics to replicate the grain shape and packing density of natural sands in a 2D platform to study the flow-induced spatial evolution of bacterial biofilms underground. We discover that initial bacterial dispersal and grain attachment is influenced by bacterial transport across pore space velocity gradients, a phenomenon otherwise known as rheotaxis. We find that gravity-driven flow conditions activate different bacterial cell-clustering phenotypes depending on the strain’s ability to product extracellular polymeric substances (EPS). A wildtype, biofilm-producing bacteria formed compact, multicellular patches while an EPS-defective mutant displayed a linked-cell phenotype in the presence of flow. Finally, these phenotypes subsequently influenced the overall spatial distribution of cells across the porous media network as colonies grew and altered the fluid dynamics of their microenvironment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Panel Session 51: Idaho Transuranic Waste Challenges, Solutions and Implications for the Future (3/5)

This panel focused on the retrieval, characterization, treatment, certification, and shipping of transuranic (TRU) waste at the Idaho National Laboratory (INL) Site, Idaho, USA. The INL began receiving TRU waste from offsite generators (primarily the Rocky Flats Plant in Colorado, USA) beginning in 1954. Until 1970, the INL Site disposed of barrels, boxes, and other debris in a shallow, unlined landfill. Beginning in 1970, the INL Site began storing TRU waste on an asphalt pad, which was then covered with several feet of soil. This practice continued until the late 1980's at which time a large air support building was erected over the waste. In the mid-to-late 1990's, the air support building was removed and a massive building was constructed over the entire dirt mound. Contractors retrieved the waste from the early 2000's through February 2017 to support an Idaho Settlement Agreement milestone that required the retrieval of 65,000 cubic meters of TRU waste and removal from Idaho. This panel focused on the Idaho Transuranic Waste Challenges, Solutions and Implications for the Future. The Idaho Transuranic Waste Program includes buried and stored waste retrieval and processing of contact- and remote-handled transuranic waste. Over the duration of the program, the Idaho site has conducted targeted retrieval of buried waste from the 1950's and 1960's; designed, permitted, built, operated, and completed the mission of a facility to process 65,000 cubic meters of waste; and shipped more than 57,000 cubic meters of waste to WIPP. Presentation proposed: Transuranic Waste Challenges and Solutions (Hoss Brown, Fluor Idaho, LLC (USA), John McCoy, Fluor Idaho, LLC (USA), James Malmo, US DOE (USA), Doug Pruitt, Department of Energy Idaho Field Office (USA), Kenneth Princen, US DOE (USA))

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Saltstone Waste Characterization Analysis - Salt Waste Processing Facility (SWPF) Waste Stream (Q4 CY2020)

The Saltstone Production and Disposal Facility is designed and permitted by the state of South Carolina Department of Health and Environmental Control (SCDHEC) to treat and dispose of low-level radioactive and hazardous liquid waste (salt solution) remaining from the processing of radioactive material at the Savannah River Site (SRS). Low-level waste (LEW) aqueous streams from the Effluent Treatment Project (ETP) and decontaminated solutions from the Tank Closure Cesium Removal Unit (TCCR) and the Salt Waste Processing Facility (SWPF) are stored in Tank 50 until the LEW can be transferred to the Saltstone Facility for treatment and disposal. In the past, decontaminated solution from the Modular Caustic Side Solvent Extraction Unit (MCU) was stored in Tank 50 until the LEW could be transferred to the Saltstone Facility for treatment and disposal. MCU is currently in a suspended operations state. LEW that meets the Waste Acceptance Criteria (WAC) can be transferred, stored, and treated in the Saltstone Production Facility (SPF) for subsequent disposal as saltstone grout in the Saltstone Disposal Facility (SDF). Sampling will be conducted as new waste streams are identified for treatment and disposal at the Saltstone Industrial Wastewater Treatment Facility (IWTF) and Z-Area Industrial Solid Waste Landfill (ISWLF), Facility ID# 025500-1603, General Condition B.9 or every six years in accordance with South Carolina (SC) Regulation 61-107.19 Parti C, “Solid Waste Management: Solid Waste Landfills and Structural Fill - General Requirements.”

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Subtask 1.3 – Integrated Carbon Capture and Storage for North Dakota Ethanol Production

The Energy & Environmental Research Center (EERC), in partnership with Red Trail Energy, LLC (RTE), a North Dakota ethanol producer; the North Dakota Industrial Commission (NDIC) Renewable Energy Program (REP); and the U.S. Department of Energy (DOE), conducted a feasibility and implementation study for a commercial carbon capture and storage (CCS) effort. This subtask provided technical support and developed recommended practices of how small-scale industrial CO2 emitters (<1,000,000 tonnes of CO2 emitted annually) may economically deploy CCS. The 64-million-gallon dry mill RTE ethanol facility, emitting an average 180,000 tonnes of CO2 annually, was the subject of the case study. The positive outcome of this research, which shows technical and economic potential for ethanol–CCS in North Dakota, has resulted in RTE acquiring an approved Permit to Drill on December 2, 2019, for a stratigraphic test well in early 2020, a necessary step toward a North Dakota CO2 Storage Facility Permit (SFP) for the RTE CCS effort. Outcomes include 1) validating the Broom Creek Formation as a regional target for CCS, 2) determining the full carbon life cycle of an industrial fuel production facility with CCS, 3) developing a field implementation plan (FIP) for small-scale CCS, and 4) determining the validity and pathway for using CCS to meet low-carbon fuel (LCF) standards. The technical team included the EERC, RTE, Trimeric Corporation, Schlumberger Carbon Services, and Computer Modelling Group (CMG). Findings from activities conducted November 2016 – May 2020 are summarized as follows. Several key steps have been accomplished toward validating the Broom Creek Formation as a CO2 injection and storage target at the RTE CCS site, including verification of the presence and structure of sandstone layers that may comprise the potential CO2 storage reservoir and the several thousand feet of overlying confining zone. Work included site characterization using existing data, interpretation of seismic data within the study area, and geologic modeling simulation of CO2 injection. Interpreted results estimate 3000 feet of confining zone between the Broom Creek Formation (storage target) and the lowermost underground source of drinking water (e.g., the Fox Hills Formation). The thickness of the Broom Creek injection target varies 230–420 ft within the survey area. Results were used to inform the location of a stratigraphic test well and associated characterization test program. No impediments were identified within the targeted CO2 storage complex that would prevent the project from moving forward. A stratigraphic test well is the next step to validate these results and to acquire remaining data necessary to develop a North Dakota CO2 SFP application. The EERC generated full carbon life cycle estimates for CCS integration with the RTE ethanol facility. Results indicated that an average 40% reduction in CO2 emissions is possible through CCS implementation. Approximately half of the carbon in the overall life cycle for a dry mill ethanol plant is generated through the fermentation process and emitted to the atmosphere; this is the CO2 stream targeted for CCS. The remaining carbon is attributed to corn feedstock farming (diesel, fertilizer), energy for fuel processing (natural gas, electricity), and transportation (diesel) of the fuel product. Life cycle carbon estimates are also affected by the anticipated energy consumption of a potential capture facility, which depend on the type of CO2 product generated. For example, a 30%–40% net CO2 emission reduction is estimated if a liquefied CO2 facility were incorporated compared to a 40%–50% net CO2 reduction if a supercritical “injection-grade” CO2 product is generated; i.e., more energy is required to further refine the CO2 stream, affecting the full carbon life cycle estimates. A CCS FIP was developed and initiated at the RTE CCS site, resulting in the development of several guidance documents: a CO2 Capture Process Design Package, a North Dakota CO2 geologic Storage Permits Template, and a Public Outreach Package for CCS in North Dakota. General FIP components include CO2 capture system, pipeline and well designs; monitoring, verification, and accounting (MVA) plans; geologic characterization and testing programs; and permitting and outreach plans. Vendor bids were also acquired for the CO2 liquefaction facility. Near-surface characterization (groundwater and soil gas sampling) and geologic characterization (seismic survey) were initiated to inform development of a UIC Class VI-compliant MVA plan compliant with a North Dakota CO2 SFP. Designs (well and geologic testing) were completed for a stratigraphic test well compliant with a North Dakota CO2 SFP. In addition, the outreach plan was executed, including community open houses, meetings with city/county/state officials, and development of public materials. Although other entities continued to mature incentive programs in 2019–2020, California and the Internal Revenue Service (IRS) currently provide the most advanced economic opportunities for CCS integrated with fuel production. The California Low-Carbon Fuel Standard (LCFS) adopted a CCS Protocol in January 2019, allowing submittal of a design-based pathway (DBP) application for an approved temporary (not certified) carbon intensity value for a fully engineered facility. An ethanol–CCS DBP application to the California LCFS Program (officially approved February 28, 2020) was developed to show that the RTE CCS effort meets LCFS requirements. The approved DBP provides confidence to advance the project and supports potential investments. Other entities continue to mature incentive programs. The IRS issued guidance in February 2020 that addresses the definition of beginning of construction and revenue procedure on partnerships for the Enhancement of Carbon Dioxide Sequestration Credit (a.k.a. Section 45Q) CCS tax credit program; the IRS anticipates issuing further guidance on issues such as secure geologic storage, utilization qualifications, and recapture of claimed credits. Maturing incentive programs coupled with workable permitting regulations provide confidence to advance CCS projects in North Dakota and support financial investment to proceed with designing, constructing, and implementing CCS projects at small-scale fuel production facilities. The largest hurdles for CCS implementation at small-scale industrial systems are often business/economic-related (i.e., not technical). Market uncertainty already exists for agriculture-based alternative fuels such as corn ethanol, for which production has increased by ~33%, and prices have correspondingly lowered since 2015. Passing the Section 45Q tax credit program improves economic feasibility for CCS but may require external investors for a small business to achieve maximum benefits. Public–private partnerships with NDIC and DOE have resulted in foundational technical and regulatory knowledge, growing stakeholder confidence, and a pathway to implementation that enables similar industrial CCS projects in the region to advance. This subtask was funded through the EERC–DOE Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by NDIC and RTE. The authors would also like to thank CMG, ESRI, IHS, Neuralog, and Schlumberger for allowing the use of their software packages in support of this work.

42 ENGINEERING↗
DOE OSTI2023

Mechanisms for high creep resistance in alumina forming austenitic (AFA) alloys

Castable alumina forming austenitic (AFA) alloys have demonstrated superior creep life and oxidation resistance at temperatures exceeding 800⁰C. Despite the success in the applicability of these alloys in extreme environments, there is a limited understanding of the deformation modes and the influence of each alloying element guiding the alloy design strategies that could further enhance the creep strength of these AFA alloys, particularly at temperatures at and above 900⁰C. In this study, we reveal the mechanism underpinning the superior creep performance of castable AFA alloys that involves suppressing primary carbide formation through minor compositional modification. This approach results in a three-fold increase in creep strength at 900⁰C and 50 MPa. Here, by employing integrated characterization techniques, we analyzed the microstructures of two AFA alloys, both before and after the creep process. We discovered that the suppression of primary carbides permits the in-situ clustering of now-available interstitial elements such as C, Si, and O during high-temperature creep. This improved solid solution strengthening and reduced stacking fault energy of the alloy. Moreover, it also enabled controlled secondary carbide formation during testing, further improving the creep resistance. These findings underline the important interplay between alloy composition, microstructure, and creep properties, and offer a promising design strategy for developing economical high-temperature Fe-based alloys suitable for advanced applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Modeling Electric Power and Natural Gas Systems Interdependencies: Application to Natural Hazards

To assist the evaluation of infrastructure assets from an all-hazards perspective, this paper describes the 16 progress of continuing infrastructure modeling and integration efforts underway by researchers at 17 Argonne National Laboratory under its Resilient Infrastructure Initiative. A unique approach is adopted 18 that integrates existing and proven electric power and natural gas infrastructure models used for impact 19 assessment analyses to aid and enhance the design of resilient energy systems. Significant benefits of the 20 combined electric power-natural gas model (EP-NG Model) are that the generalized framework permits 21 the integration and automation of the entire process, including threat and hazard identification and data 22 acquisition, impact zone estimation and projection, simulation of the initial effects on the initiating 23 infrastructure, evaluation of propagating effects within each infrastructure, and simulation of the influence 24 of cascading effects of the disruption on interdependent infrastructure. Two state-level case studies 25 demonstrate the approach’s effectiveness in simulating the propagation of disruptions between the natural gas and electric power systems, and the usefulness for designing resilient energy systems considering 27 hazards related to climate change and other natural hazards.

all-hazards↗
DOE OSTI2020

North Dakota Integrated Carbon Storage Complex Feasibility Study. Final report

In spring 2017, the Energy & Environmental Research Center (EERC) initiated an effort to determine the feasibility of developing a commercial-scale CO 2 geologic storage complex able to store 50+ million tonnes (Mt) of CO 2 in central North Dakota safely, permanently, and economically. The objective was to fulfill the goals of the U.S. Department of Energy (DOE) Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Initiative and address technical and nontechnical challenges specific to commercial-scale deployment of a CO2 storage project. The findings clearly show that the concept of capturing CO 2 from a lignite-fired electrical generation facility in central North Dakota and safely and permanently storing the CO 2 in the deep subsurface is indeed technically, economically, and socially feasible. This project evaluated two study areas and their respective geologic storage complexes located adjacent to separate coal-fired facilities in North Dakota: the Basin Electric Power Cooperative (BEPC)-owned Great Plains Synfuels Plant (GPSP) and the Minnkota Power Cooperative (Minnkota)-owned Milton R. Young Station (MRYS). These locations, one with CO 2 capture in place and an existing CO 2 pipeline, are bolstered by progressive North Dakota pore space ownership and long-term liability laws. These elements and a motivated team created an ideal synergistic scenario for ensuring success of the CarbonSAFE Initiative and promoting North Dakota’s statewide vision for carbon management. The project included drilling two new geologic characterization wells, integrating an existing 3-D seismic survey, creating a geologic model subsequently used for injection simulation, a risk assessment, public outreach, and generating a site development plan based on results. In addition, the performance of select National Risk Assessment Partnership tools was evaluated. The geologic characterization wells were drilled ~5600 feet deep to the Broom Creek Formation; ~350 feet of core was retrieved from each well. The core included the Broom Creek (targeted injection zone) and a portion of the overlying Opeche Shale (seal). The Flemmer-1 well, west of Beulah, North Dakota, yielded 169 feet of sandstone. The BNI-1 well located south of Center, North Dakota, yielded 124 feet of sandstone. In each case, laboratory analysis of the sandstone showed permeability in the 300–1000-mD range, with porosity of 20%–30%. The Flemmer-1 well was sited within the boundaries of an existing 3-D seismic survey. Colocating the well with the seismic survey maximized the relationship between new and legacy data and developed a first-of-its-kind interpretation of the geologic fabric of the Broom Creek. Geologic characterization data were integrated into a 5544-mi 2 geocellular model that encompassed both new wells and stratigraphy from the surface to the Amsden Formation (underlying the Broom Creek). The model was later expanded vertically to include the deeper Black Island–Deadwood interval to examine its potential viability as a storage target. The geocellular model provided the foundation for dynamic simulation of CO 2 into the Broom Creek. Results of the simulation suggest that the Broom Creek could accept the DOE target rate of 2 Mt/yr of CO 2 into as few as two wells. To bracket the expected capture from MRYS, simulations were also investigated for a 4-Mt/yr rate near MRYS. Although more wells are needed (two additional), the Broom Creek still has the storage resource to accept the CO 2 at the increased rate. A risk assessment exercise was conducted to identify and assess technical and nontechnical risks that could prevent potential candidate storage complexes within the study area from serving as commercial storage sites. The assessment identified and evaluated six technical risk categories: 1) CO 2 injectivity, 2) storage capacity, 3) lateral migration of CO 2 , 4) lateral pressure propagation, 5) vertical migration of CO 2 or formation brine, and 6) induced seismicity. Following two rounds of analysis and scoring, no risks were determined to preclude continued efforts to develop carbon capture, utilization, and storage (CCUS) in central North Dakota. The risk assessment results will be used to guide future site characterization, modeling and simulation, and monitoring activities. A specific nontechnical strategic risk based on challenges that may be realized in amalgamation of pore space resulted in vertically expanding the geologic model to incorporate the potential for stacked storage in multiple saline reservoirs. By including the Black Island–Deadwood interval (the basal sedimentary reservoir in this region), the amalgamated areal extent could be reduced by as much as 45%. Working with a smaller geographic area reduces risks and costs associated with monitoring and pore space leasing. An economic evaluation incorporating capture; transport (<5 mi); Class VI wells; permitting; and monitoring, verification, and accounting suggests implementing commercial-scale CCUS is economically attractive if the federal tax benefits of 45Q are included. This is validated by Minnkota’s continued pursuit of CO 2 capture and geologic storage at MRYS through its Project Tundra initiative, indicating that there is a business case for CCUS in central North Dakota. Currently, North Dakota is the only state with underground injection control (UIC) Class VI primacy. Built into the North Dakota Century Code is a series of regulatory requirements that guide the process to obtain a Class VI CO 2 storage facility permit. As part of this project, a site development plan was compiled to assure compliance with North Dakota’s requirements to permit a commercial-scale CO 2 storage operation and includes a prospective time line encompassing a general breakdown of activities. In total, an estimated 30 months would be needed to execute the necessary steps to attain a North Dakota CO 2 storage facility permit. Outreach was an integral part of the project and encompassed any project-related activity that had contact or exposure beyond the project team. The goals of outreach were to foster an environment from which stakeholders could make informed decisions about the project and gauge community receptiveness to a CCUS project. A consistent set of messages and outreach products were developed in conjunction with an outreach advisory board that integrated project partners and team members. To gauge public acceptability of geologically storing CO 2 , 5611 households in the project area were invited to participate in an online survey. The survey results indicate that the public attitude regarding CCUS is neutral to positive, with strong sentiment that CO 2 capture and storage may be an approach to maintain the economic vitality of the region. To achieve project objectives, critical support in the form of financial backing, engineering evaluations, site access, outreach collaboration, operations data, risk assessment/evaluation, and software access was provided by BEPC, the North Dakota Industrial Commission Lignite Research Council, ALLETE Clean Energy, BNI Energy, North American Coal Corporation, Minnkota, Prairie Public Broadcasting, Computer Modelling Group Ltd., and Schlumberger.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Risk Informed, Performance-Based, Technology-Inclusive Regulatory Infrastructure: Technology-Inclusive Determination of Mechanistic Source Terms for Offsite Dose-Related Assessments for Advanced Nuclear Reactor Facilities

This report summarizes a risk informed, performance-based and technology-inclusive approach to determine source terms for dose related assessments at advanced nuclear facilities. This approach uses a graded process which allows both the non-mechanistic source terms calculation methods, which adopt conservative approaches and assumptions based on known physical and chemical principles, and more importantly the mechanistic source term calculation methods, which consider design-specific scenarios and use best estimate models with uncertainty quantification for a range of licensing basis events (LBEs), to be used for the design and licensing of advanced nuclear technologies. The source terms developed with this graded approach, and radionuclide inventories elsewhere in the facility that are determined during source term analysis, can be used to address licensing issues to support the application processes of 10 CFR Part 50 for a construction permit and operating license or 10 CFR Part 52 for a Combined Operating License (COL), Standard Design Certification, Early Site Permit, Standard Design Approval or Manufacturing License. They can also be used for other purposes including equipment environmental qualification, control room habitability analyses, and assessments of severe accident risks in environmental impact statements. There are many advanced reactor concepts being developed including high temperature gas-cooled reactor (HGTR), sodium-cooled fast reactor (SFR), lead-cooled fast reactor (LFR), molten salt reactor (MSR), micro-reactor, etc. The graded approach presented in this report for source terms determination is, to the extent possible, generic to any of these reactor designs and to future reactor designs. This report provides information on the review of the regulatory foundation for use of conservative bounding source terms as well as event-specific mechanistic source terms for advanced nuclear reactor designs.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Optimizing cost-effective and benchmarked industry standards to quantify nutrient bioextraction by seaweed

Interest in the utility of seaweed farms to mitigate coastal eutrophication, or nutrient loading, has grown commensurate with the recent rise of the farmed seaweed industry in the U.S. But economic valuation of this ecosystem service remains elusive in part because of challenges in quantifying this spatiotemporally variable biological process with reproducible and comparable metrics. Regulatory bodies that permit wastewater discharge or lease area for aquaculture farms require water quality testing and reporting of dissolved total nitrogen (N) in nearshore marine environments. These metrics must meet EPA standards for testing and reporting (e.g., Total Kjeldahl Nitrogen - TKN). However, these metrics are inherently highly variable over space and time in dynamic nearshore systems, and expensive to evaluate with sufficient breadth to constrain this variance, creating a critical bottleneck to direct quantification of farmed seaweed net uptake rates in situ.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Catalyst mixtures

Catalysts that include at least one catalytically active element and one helper catalyst can be used to increase the rate or lower the overpotential of chemical reactions. The helper catalyst can simultaneously act as a director molecule, suppressing undesired reactions and thus increasing selectivity toward the desired reaction. These catalysts can be useful for a variety of chemical reactions including, in particular, the electrochemical conversion of CO.sub.2 or formic acid. The catalysts can also suppress H.sub.2 evolution, permitting electrochemical cell operation at potentials below RHE. Chemical processes and devices using the catalysts are also disclosed, including processes to produce CO, OH.sup.-, HCO.sup.-, H.sub.2CO, (HCO.sub.2).sup.-, H.sub.2CO.sub.2, CH.sub.3OH, CH.sub.4, C.sub.2H.sub.4, CH.sub.3CH.sub.2OH, CH.sub.3COO.sup.-, CH.sub.3COOH, C.sub.2H.sub.6, O.sub.2, H.sub.2, (COOH).sub.2, or (COO.sup.-).sub.2, and a specific device, namely, a CO.sub.2 sensor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ~0.1 to ~0.6 m s –1 . After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Convection-Permitting Ensembles of an Isolated Mountain Thunderstorm during RELAMPAGO/CACTI

Abstract The north–south-oriented Sierras de Córdoba (SDC) ridge in central Argentina is noted for initiating thunderstorms that may grow into intense mesoscale convective systems (MCSs). It also initiates more isolated, shorter-lived cells under weaker synoptic forcing. These cells are less impactful than MCSs but may be difficult to predict in convective-scale numerical weather prediction (NWP) due to their strong sensitivities to subgrid and partially resolved processes. To study the mechanisms and predictability of such cells, convection-permitting ensemble simulations were conducted of an isolated, diurnally forced SDC thunderstorm during Cloud, Aerosol, and Complex Terrain Interactions (CACTI)/Remote Sensing of Electrification, Lightning, and Mesoscale/Microscale Processes with Adaptive Ground Observations (RELAMPAGO). The rich observational data facilitated detailed ensemble verification, where dry biases in the surface energy balance and soil moisture were identified. These biases promoted rapid removal of convective inhibition and an early onset of precipitating cells over the SDC that were shallower and weaker than the observed cell. Correction, and then overcorrection, of the soil moisture bias in two successive ensembles was required to rectify the surface energy balance and improve the representation of the SDC cell. Nevertheless, substantial ensemble variability in convective precipitation was found, with some members producing more widespread convection than observed and others producing no deep convection at all. This variability was largely explained by a combination of thermodynamic and dynamic mechanisms, dominated by a positive sensitivity of convective precipitation to preconvective moist instability over the ridge. Secondary sensitivities were found to low-level upward mass flux and midlevel cross-barrier winds, the latter of which caused gravity waves with elevated downdrafts that tended to suppress incipient clouds.

Lopez, Andres [Department of Atmospheric and Ocean↗