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

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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Techno-Economic Impact of Diesel Fuel, Labor, and Interest Rates on Bulk-Format and Round Bale Logistics Expenses for Switchgrass

Highlights System-wide sensitivity of bulk-format and round bale logistics responded to different degrees of expense inputs. Biomass size-reduction expenses for bulk-format were consistently less than round-bale chopping. Stack/reclaim operations with high-density-capacity equipment for bulk-format were the highest expenses. Clean-sheet design of stacker/reclaimer and self-compacting bulk trailer may significantly reduce expenses. Abstract . Deterministic cost analyses were conducted for a harvest, storage, preprocessing, and supply system providing 371,870 dry Mg (dMg) year-1 of milled switchgrass (SG) to a biorefinery from 21,929 ha of production fields within 72 km of the biorefinery. Varied input costs of diesel fuel, labor, and interest rate were input into a highly detailed cost analysis for bulk-format and baseline round bale logistics. These operational input factors, potentially reflecting an evolving economic climate or paradigm shift, were examined to provide insight into the cost to deliver preprocessed biomass feedstock for centralized commercial-scale conversions. Total annual costs per dry unit of SG were determined for all combinations of diesel fuel prices of $0.53 L-1, $0.92 L-1, and $1.32 L-1; total labor costs of $20.00 h-1, $28.85 h-1, and $40.00 h-1 singly and uniformly applied across all labor inputs; and three representative interest rates of 6%, 8%, and 12%. Increases in total cost most depended on increases in diesel fuel cost, followed by labor rate, and finally interest rate. Increases in fuel costs from $0.53 L-1 to $1.32 L-1 yielded a total cost increase of about $11.56 dMg-1 and $13.36 dMg-1 for bulk-format and round bale logistics, respectively, for all combinations of labor and interest rates. The overall increase in labor rate ($20.00 h-1 to $40.85 h-1) resulted in increased total costs of about $10.32 dMg-1 for bulk-format logistics and $9.94 dMg-1 for round bale logistics for all fuel and interest rates. The overall increase in interest rate (6% to 12%) resulted in increased total costs of about $6.72 dMg-1 for bulk-format logistics and $4.21 dMg-1 for round bale logistics for all fuel and labor rates. Increases in total costs for combined increases in fuel cost, labor rate, and interest rate were $28.60 dMg-1 and $27.48 dMg-1, yielding maximum total costs of $87.87 dMg-1 and $86.53 dMg-1 for bulk-format and round bale logistics, respectively. Costs were determined for existing equipment systems, including novel use of waste compaction and ejector semi-trailers. The highest potential for cost reductions may require clean-sheet equipment designs specifically tailored for SG, such as forage harvesters that direct-cut standing SG, mobilized stacker-reclaimer technology to not inhibit stack-area footprint, self-compacting ejector trailer technology, and bale grinding technology incorporating controlled mass feeding and shear failure elements. Keywords: Bales, Bioenergy, Bulk-format, Densification, Field chop, Logistics, Transportation

Agriculture↗
DOE OSTI2023

Theoretical Multinary Perovskite Oxides Dataset

Perovskite oxides (ternary chemical formula ABO3) are a diverse class of materials with applications including heterogeneous catalysis, solid-oxide fuel cells, thermochemical conversion, and oxygen transport membranes. However, their multicomponent chemical space is underexplored due to the immense number of possible compositions. To expand the number of computed compounds we report a dataset of 66,516 theoretical multinary oxides, 59,708 of which are perovskites. First, the AA'BB'O6 compositions were generated in the a-b+a- Glazer tilting mode using the computationally-inexpensive Structure Prediction and Diagnostic Software (SPuDS) program. Next, we optimized these structures with DFT using parameters compatible with the Materials Project (MP) database. Our dataset contains these optimized structures and their formation (ΔHf) and decomposition enthalpies (ΔHd) computed relative to MP tabulated elemental references and competing phases, respectively. This dataset can be mined, used to train machine learning models, and rapidly and systematically expanded by optimizing more SPuDS-generated AA'BB'O6 perovskite structures using MP-compatible DFT calculations

Bare, Zachary↗
DOE OSTI2023

UNrealized Critical Lanthanide Extraction from Sea Algae Mining (UNCLE SAM)

The UNCLE-SAM project, under the Biotechnologies to Ensure a Robust Supply of Critical Materials for Clean Energy program, examined the biomining applications of seaweeds for sustainable, domestic production of critical mineral feedstocks. The ocean is a vast reserve of mineralogical wealth including rare earth elements (REEs) and platinum group metal (PGMs). These elements, categorized as “critical minerals”, are used in telecommunication devices, lasers, LED lighting, turbine generators, electric car motors, jet engine alloys, and many other applications. These critical elements are increasingly vital to a thriving, efficient and sustainable society. However, only a few countries in the global market currently produce and export REEs, leading to potential geopolitical supply disruptions. Marine macroalgae, often referred to as seaweeds, bioconcentrate critical minerals from seawater, including REEs and PGMs. Marine algae cultivation can generate a significant amount of biomass with minimal freshwater, fertilizer, and land requirements. In summary, the UNCLE-SAM project successfully evaluated the technological feasibility for marine macroalgal cultivation as a feedstock for critical minerals, explored the biological capacity of different seaweeds to provide economically relevant domestic mineral production, assessed processing techniques for thermal co-conversion of seaweeds into renewable fuel and mineral feedstocks, and executed techno-economic and lifecycle assessments for identifying the most critical gaps in our current understanding to move the technology into commercially relevant deployment. Further development of this technology could transform the bioproduct and REE mining industries and catalyze the development of a more sustainable future.

09 BIOMASS FUELS↗
DOE OSTI2026

Novel Modular Heat Engines with sCO 2 Bottoming Cycle Utilizing Advanced Oil-Free Turbomachinery

This report presents the thermal, mechanical, and electric machine design of a 27krpm rotating test rig aimed at reducing technical risks with hermetic oil-free super-critical carbon dioxide (sCO 2 ) turbomachinery. The test rig rotor system is based on a conceptual turbomachine design discussed that evaluates a sCO 2 waste heat recovery (WHR) unit for land-based gas turbines at natural gas (NG) compressor stations. The key novelty of the hermetic sCO 2 turbomachine concept is the utilization of additively manufactured CO 2 gas bearings and a CO 2 -immersed direct-drive permanent magnet (PM) electric machine. The previous effort on conceptual design identified 3 main technical risks, which included thrust bearing load capacity, rotordynamics, and thermal performance of the system. Therefore, key requirements of the test vehicle include the ability to test the rotor system in a 400psi (27.6 bar) hermetic CO 2 operating environment, apply up to 1,500 lbs (6.7 kN) of rotor thrust loads, capability to assess rotordynamics with radial gas bearings, inclusion of instrumentation to assess thrust bearing load capability, and flexibility for varying secondary cooling flows to confirm thermal model predictions. Design topics such as rotordynamics, bearing design, and electric machine design are addressed, while highlighting critical elements. In addition, additive build trials for Inconel 718 radial and thrust bearings were performed to prove the manufacturability of the bearing design concepts. The results of the design efforts yield a test rig concept with ability to operate at 27,000 rpm, apply thrust loads to 1,500 lbs, deliver CO 2 up to 800psi, and modulate cooling flows.

03 NATURAL GAS↗
DOE OSTI2020

Treatment of Problematic Reactive Metal Wastes Using the GeoMelt{sup R} In-Container Vitrification (ICV{sup TM}) Process - 20326

Decommissioning of sodium-cooled reactors and fast reactor technologies has generated a number of reactive metal waste configurations that are problematic to treat and typically lack cost effective treatment methods and disposition options. As a result, Veolia Nuclear Solutions, under contract with Idaho National Laboratory (owned by the U.S. Department of Energy and managed and operated by Battelle Energy Alliance, LLC) demonstrated its GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} technology to safely convert sodium metal to a non-reactive vitrified oxide form. The demonstration project, supported by glass formulation and crucible testing, consisted of a series of ICV{sup TM} melts that processed elemental sodium into stable non-reactive glass. INL is currently implementing GeoMelt{sup R} technology as a means to safely and reliably convert radioactive reactive metal residues that contaminate sodium cooled reactor components into waste forms that comply with existing disposition pathways. Reactive metal wastes require treatment in order to remove the Resource Conservation and Recovery Act (RCRA) reactivity and ignitability characteristics to comply with land disposal restrictions. GeoMelt{sup R}, which is an alternative to other potential treatment approaches, provides a robust approach that chemically converts the reactive metals to an inert oxide while also immobilizing radionuclides in a vitrified waste form with durability equal to or better than vitrified nuclear fuel reprocessing wastes (very robust and inert waste forms). Most other treatment approaches generate hydrogen gas which is problematic. In 2016, Veolia Nuclear Solutions first demonstrated the effectiveness of the GeoMelt{sup R} ICV{sup TM} process in deactivating reactive sodium metal. Crucible, bench-scale, and engineering-scale demonstrations were conducted on several surrogate waste configurations with various ratios of sodium metal and glass formers. Each ratio and configuration demonstrated complete deactivation of the surrogate sodium metal. Follow-on work in 2017 demonstrated the deactivation of reactive sodium by GeoMelt{sup R} ICV{sup TM} at a higher waste loading relative to previously demonstrated work performed in 2016; the higher waste loading optimized glass chemistry while enhancing the economical full-scale treatment of reactive metals. Additionally, follow-on demonstration testing in 2018 and 2019 focused on more complex shapes and other reactive-metals (mocked up Experimental Breeder Reactor II [EBR-II] subassembly, sodium filled heat exchanger, and a can containing sodium potassium alloy) which were all performed at engineering scale. Veolia Nuclear Solutions designed, installed, and commissioned in September 2018, at Perma-Fix Northwest in Richland Washington, a 10-metric ton full-scale GeoMelt unit (GeoMelt{sup R} Richland) for the treatment of reactive metal wastes. As of September 2019, over 900 55-gallon drums containing a total of around 3,500 lb of sodium with low levels of radioactivity have been treated at GeoMelt{sup R} Richland, with resulting glass monoliths disposed at the Nevada National Security Site (NNSS). A full-scale radiological demonstration melt on an actual EBR-II subassembly has also been performed using the full-scale melter in 2019. The GeoMelt{sup R} technology is a proven radioactive waste treatment technology capable of immobilizing radioactive wastes, including bulk rubble such as drums and other steel vessels usually without pretreatment. Utilizing the GeoMelt{sup R} technology to treat reactive metals eliminates pretreatment steps resulting from having to separate the reactive metal from steel containers or jackets as GeoMelt{sup R} can easily operate at temperatures sufficient to melt the steel and expose the reactive metal for treatment. Eliminating handling steps of reactive metals is a significant safety advantage since reactive metals are pyrophoric. The results generated as a part of the 2018-2019 demonstration program are presented in the paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Confinement time and ambipolar potential in a relativistic mirror-confined plasma

Advanced aneutronic fusion fuels such as proton-Boron 11 tend to require much higher temperatures than conventional fuels like deuterium–tritium. For electrons, the bulk plasma temperature can approach a substantial fraction of the rest mass. In a mirror confinement system, where the electrons are confined by an ambipolar potential of at least five electron temperatures, the tail electrons which can escape the potential are fully relativistic, which must be taken into account in calculating their confinement. In this paper, simple estimates are employed to extend the scaling of the confinement time into the relativistic regime. By asymptotically matching this scaling to known solutions in the non-relativistic limit, accurate forms for the confinement time (and thus, the ambipolar potential) are obtained. Furthermore, these forms are verified using finite-element-based Fokker–Planck simulations over a wide range of parameters. Comparing relativistic and nonrelativistic mirror-confined plasmas with the same ratio of confining potential |eΦ| to electron temperature T e and the same mirror ratio R, the net result is a decrease in the confinement time due to relativistic effects by a factor of S ≡ (1 + 15T e /8m e c 2 )/(1 + 2|eΦ|/m e c 2 )⁠.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Novel Algae Technology for CO2 Utilization

The United States, the world’s largest energy user and second largest CO2 emitter, is heavily dependent on fossil energy. In 2014, U.S. coal burning utilities emitted ~1562 million (MM) tons/year (TPY) of CO2 into the atmosphere, accounting for 76% of the total US power sector emissions1. Hence, reducing the CO2 emission footprint from coal plants is widely viewed as a key element in mitigating global warming. Despite significant interest, implementation of CO2 capture technologies has been constrained by the high capture cost which significantly increases the total cost of electricity. Not only is capturing CO2 with traditional technologies expensive, but generally the CO2 has little value and additional expense must be incurred for sequestration. This project funded by a SBIR grant from the U.S. D.O.E. to Helios-NRG in collaboration with the State University of New York at Buffalo (UB) and Membrane Technology and Research Inc. (MTR) aimed to develop a novel, algae based technology to capture CO2 from the effluent of coal-based power plants and convert it to renewable bio-fuels and higher value co-products such as animal feed and nutraceuticals with the potential to enable a substantial reduction in the net cost of carbon capture. The Phase 2 project was aimed at further demonstrating the technical feasibility of the proposed multi-stage continuous (MSC) flow CO2 capture system and the generation of high-value co-products to offset the CO2 capture cost. The project was completed and the project objectives were met and exceeded. A first-of-a-kind integrated, laboratory scale MSC process unit was fabricated and tested in a greenhouse. The tests were conducted with the preferred algae species identified in Phase I and simulated flue gas containing contaminants at levels typically present in the post flue gas desulfurization (FGD) stream, including ~12% CO2, acid gas (SOX, NOX), and a large number of heavy metals. The tests were successful and demonstrated a 25g/m2/day seasonal average algae productivity and an 80% CO2 capture efficiency. Two new algae species were identified for high-value nutraceutical production. Studies to improve growth rate and nutraceutical content of these algae species were performed and a pathway for further improvements was identified. A new dewatering technology called DeAqua was further advanced. Significant improvement in the performance index was achieved. The anti-fouling membrane was developed and fabricated into a module. The fabricated membrane module was tested with algae slurry and demonstrated improved fouling resistant properties, that can potentially reduce the cost and energy of the critical dewatering step. Test data were used to simulate operation of the overall process. The preliminary economic analysis was updated and modelled based on a 5000-acre algae farm. To the extent possible, the financial and operating assumptions used were the same as those used in the DOE’s 2022 projections for algae technology for CO2 capture and utilization. The results showed the proposed technology’s potential to significantly reduce the cost of CO2 capture compared to current options and that the high value products generated from the CO2 captured can make a step change in the cost of carbon capture. Plans to advance the technology to Phase 2B were developed and potential end-user partners were identified.

Maloney, James↗
DOE OSTI2024

Design optimization of lightweight automotive seatback through additive manufacturing compression overmolding of metal polymer composites

With the growing demand for enhanced automotive fuel efficiency and environmental sustainability, there is a need for lightweighting automotive components through innovative design and manufacturing processes. Here, this study leverages a combination of numerical iterative design optimization and hybrid additive manufacturing–compression molding (AM-CM) technique for metal polymer composites to lightweight an automotive seatback. The AM-CM process enables robust mechanical interlocking between metals and composites, boasting high stiffness and strength with low overall density. Replacing metallic components with such metal polymer composites allows for comparable mechanical performance while significantly reducing the overall weight. First, the automotive seatback design space is reduced to critical load carrying regions using topology optimization and high stress concentration areas are identified using finite element analysis. Next, a lightweight metal polymer subcomponent is designed for a high stress concentration region. The full seatback frame with spatially heterogeneous material-specific design is then iteratively optimized to enable enhanced stiffness with minimal weight. Overall, the automotive seatback frame designed with location-specific metal, polymer, and metal polymer composite materials weighs 20% less than the metal-only design while exhibiting similar stiffness.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Explainable machine learning for hydrogen diffusion in metals and random binary alloys

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen diffusion, they often lack accuracy when making quantitative predictions. Machine learning models are capable of making accurate predictions, but their inner workings are obscured, rendering it unclear which physical features are truly important. To develop interpretable machine learning models to predict the activation energies of hydrogen diffusion in metals and random binary alloys, we create a database for physical and chemical properties of the species and use it to fit six machine learning models. Our models achieve root-mean-squared errors between 98–119 meV on the testing data and accurately predict that elemental Ru has a large activation energy, while elemental Cr and Fe have small activation energies. By analyzing the feature importances of these fitted models, we identify relevant physical properties for predicting hydrogen diffusivity. While metrics for measuring the individual feature importances for machine learning models exist, correlations between the features lead to disagreement between models and limit the conclusions that can be drawn. Instead grouped feature importance, formed by combining the features via their correlations, agree across the six models and reveal that the two groups containing the packing factor and electronic specific heat are particularly significant for predicting hydrogen diffusion in metals and random binary alloys. In conclusion, this framework allows us to interpret machine learning models and enables rapid screening of new materials with the desired rates of hydrogen diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Structural Design Approach Tailored for the Rapid Preliminary Design of Microreactor Components

High-temperature microreactors can play a role in developing reliable, portable energy sources for off-grid remote locations, microgrid concepts, and industrial process heat. Portability and passive safety criteria tend to skew microreactor structural component designs toward complex geometries, high thermal stresses, and design bases with large numbers of startup/shutdown cycles. Current design rules, as typified by Section III of the American Society of Mechanical Engineers (ASME) Boiler & Pressure Vessel Code, are less than optimal for these conditions, particularly for preliminary component designs where developers need to rapidly consider a large number of potential component configurations. This paper presents a design method targeted toward rapid, efficient evaluation of preliminary component designs using modern finite element analysis. The new method retains key connections with the ASME Code rules and design data while streamlining the design approach. This paper presents the design method, several verification examples illustrating the similarities and differences between the new method and the current ASME rules, and the application of the new approach to the evaluation of a test article mimicking key features of a heat pipe–cooled microreactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Neptunyl and Uranyl Peroxide Chemistry in Molten Salts, Uranyl Structures from Nature, and Thermodynamic Studies Extending into the Transuranium Elements (Final Report)

This project was initially funded in 2007 and the current technical report is for 2019-2022. The specific objectives of this project (2019-2022) were: (1) Synthesis of actinide peroxide compounds in molten salt eutectics, (2) Studies of new uranyl minerals with fascinating structures and compositions, (3) Drop-solution calorimetric studies of actinide compounds extending into the transuranium elements, with an emphasis on the uranyl-sulfate system, (4) Continuation of studies of uranyl vanadate clusters synthesized using ionic liquids, (5) The training of Ph.D. graduate students in actinide chemistry, and to introduce undergraduate students to actinide research through providing research assistantships and supervision. The report lists 67 archival journal papers describing the work, of which 23 were since 2019. Highlights of the work are summarized for the period 2019-2022.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Application of Hybrid K-Edge Densitometry in Reprocessing Facilities

During reprocessing operations, accurately determining the elemental concentrations of uranium and plutonium is critical for nuclear security. Reprocessing facilities processes hundreds of tons of nuclear material annually, requiring accurate measurements to ensure effective nuclear material control and accountability. Hybrid K-edge densitometry (HKED) system combines K-edge absorption densitometry with x-ray fluorescence to measure actinide elemental concentrations with a low uncertainty. This system uses high-purity germanium gamma-ray detectors and advanced signal processing equipment to detect x-ray accurately. This document provides guidance on how to achieve effective performance from an HKED system for measuring uranium and plutonium concentrations in reprocessing facilities. It includes best practices for the setup and operation of an HKED system, while highlighting factors influencing uncertainties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Draft Prototype Microreactor Transportation Safety Program

Microreactors are compact reactors capable of producing less than 50 megawatts of electrical energy. Typically, these reactors are factory-fabricated and designed to be easily transportable by truck, rail, vessel, or air. Microreactor designs often assume that the unit can be transported containing either unirradiated or irradiated fuel. The interest in microreactors is driven by several factors, including the need to generate power on at remote locations, at military installations, at facilities such as data centers, and in areas recovering from natural disasters. The U.S. Department of Defense is actively pursuing the microreactor concept to meet the increasing energy demands of military operations that require portable and dense power sources. Commercial vendors are also exploring microreactor concepts. The report Microreactor Transportation Emergency Planning Challenges (Maheras et al. 2024) outlined the emergency planning challenges associated with the transportation of microreactors by road, rail, and by barge/ship. The successful commercial deployment and redeployment of microreactors will also require the development of microreactor transportation safety programs. The elements in these safety programs are not specific to microreactors; however, the transport of microreactors may pose unique challenges in these areas. This report builds on the report Microreactor Transportation Emergency Planning Challenges (Maheras et al. 2024) and develops the elements of a prototype microreactor transportation safety program that describes the elements that should be contained vendor-developed microreactor transportation safety programs, identifying the unique elements associated with microreactor transport. This will provide vendors and their transportation contractors a basis for their transportation planning and will accelerate the commercial deployment and redeployment of microreactors by identifying those issues unique to microreactor transport. The emphasis of this report is on highway transport of microreactors. This is based on a U.S. Nuclear Regulatory Commission transportation package approval strategy of crawl-walk-run, where transport by highway is evaluated first (Coles et al. 2021, 2024, Maheras et al. 2021), then other surface modes (rail and barge/ship), and finally air transport. Evaluation of maritime transport of microreactors was recently initiated (Rigato et al. 2024, Maheras et al. 2025). The report first discusses microreactors in general and microreactor transportation safety program planning assumptions. The report then provides a description of the transportation safety planning process and provides an extensive discussion of the elements of transportation safety programs. Specific elements examined included transportation roles and responsibilities, transportation planning, transportation mode and route selection, carrier selection, transportation packaging, advance notification of shipments, public information and communications, emergency response plans and procedures, inspections, security, safe parking, shipment tracking, weather and road conditions, medical preparedness, training and exercises, and program evaluation. The report then identifies the unique elements of a transportation safety program associated with microreactor transport. These unique elements were in the areas of: the unusual nature of microreactor designs, compensatory measures, increased radiation dose rates in the vicinity of microreactors, transportation package approval versus 10 CFR 50.59, and the use of a risk-informed transportation package approval process.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Do not forget the electrons: Extending moderately-sized nuclear networks for multidimensional hydrodynamic codes

Context.Nuclear networks are widely used coupled with hydrodynamical simulations of explosive scenarios to account for the change of nuclear species and energy generation rate due to nuclear reactions. In this way, there is a feedback mechanism between the hydrodynamical state and the nuclear processes. Unfortunately, the timescale of nuclear reactions is orders of magnitude smaller than the dynamical timescale that drives hydrodynamical simulations. Therefore, these nuclear networks are usually very small, reduced in most cases to a dozen elements, especially when simulations are carried out in more than one dimension. Aims.We present here an extended nuclear network, with 90 species, designed for being coupled with hydrodynamic simulations, which includes neutrons, protons, electrons, positrons, and the corresponding neutrino and anti-neutrino emission. This network is also coupled with temperature, making it extremely robust and, together with its size, unique of its kind. The inclusion of electron captures on free protons makes the network very appropriate for multidimensional studies of Type Ia supernova explosions, especially when the exploding object is a massive white dwarf. Methods.We perform several tests that are relevant to simulate explosive scenarios, such as Type Ia supernovae and core-collapse supernovae. We compare the results of the 90 nuclei network with a standardα-chain network with 14 elements to evaluate the differences in the energy generation rate. We also evaluate the relevance of including the electrons in the network in terms of generated yields and how it affects the pressure of a degenerate fluid such as that of white dwarfs. The results obtained with the 90-nuclei network have been verified with a much larger 2000-nuclei network built from REACLIB (WinNet), in terms of nuclear energy generation rate, pressure, and produced yields. Results.The results obtained with the proposed medium-sized network compare fairly well, to a few percent, with those computed withWinNetin scenarios reproducing the gross physical conditions of current Type Ia supernova explosion models. In those cases where the carbon and oxygen fuel ignites at high density, the high-temperature plateau typical of the nuclear statistical equilibrium regime is well defined and stable, allowing large integration time steps. We show that the inclusion of electron captures on free protons substantially improves the estimation of the electron fraction of the mixture. Therefore, the pressure is better determined than in networks where electron captures are excluded, which will ultimately lead to more reliable hydrodynamic models. Explosive combustion of helium at low density, occurring near the surface layer of a white dwarf, is also better described with the proposed network, which gives nuclear energy generation rates much closer toWinNetthan typical reduced alpha networks. Conclusions.A nuclear network withN= 90 species, including electrons, aimed at multidimensional calculations of supernova explosions is described and verified. The proposed network is suitable for the study of Type Ia supernova explosions because it provides better values of pressure and electron abundance than other existing networks with smaller or even a similar size but without including electron capture processes.

Astronomy & Astrophysics↗
DOE OSTI2020

IER-519 CED-2: Final Design for Thermal/Epithermal eXperiments (TEX) with Absorbers to Provide Validation Benchmarks for Hanford Tank Farms

The Hanford tank farms contain 56 million gallons of waste across 177 tanks. The primary criticality safety concern for the waste is the plutonium inventory in waste solids – approximately 670 kg in total. Criticality safety analysis credits the absorption and dilution properties of the large quantities of other elements (aluminum, chromium, iron, manganese, nickel, silicon, sodium, and zirconium) present in the waste. Of these, iron and manganese are by far the most significant neutron absorbers, particularly for the waste compositions of highest criticality safety concern. The criticality safety analyses at the Hanford Waste Treatment and Vitrification Plant (WTP) and the Savannah River tank farms also credit iron and manganese as the primary neutron absorbers to demonstrate subcriticality.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

BETO 2021 Peer Review: Algae Biotechnology Partnership - Technology Area Session: Advanced Algae Systems

Development of advanced genetic and genomic tools for targeted algal metabolic engineering pursuits will be integral to achieving target biomass productivity and, ultimately, the BETO goal of cost-competitive biofuels derived from algal biomass by 2022. However, at present, broad-host-range tool development is currently hindered by strain-specific negative regulatory mechanisms. Indeed, the biological processes controlling algal transcription and translation are subject to complex host regulation, which often presents hurdles for targeted genetic engineering strategies. Advanced genetic approaches offer a means to rewire these regulatory systems and/or introduce novel functionality into algal biocatalysts. Synthetic systems biology approaches also present a means to construct novel genetic regulatory networks and rewire natural biological systems to establish an “orthogonal central dogma,” wherein non-native control elements are introduced into or evolved in host microbes for bypass of host control. To this end, the Algae Biotechnology Partnership aims to develop advanced genetic editing tools and synthetic and orthogonal genetic regulatory systems to enable universal metabolic engineering strategies in top-candidate deployment algal strains. Successful development will ultimately open the door for targeted strain-engineering strategies, aimed at maximizing algal outdoor biomass production, composition, and strain robustness.

biocatalysis↗
DOE OSTI2023

Resolving Diverse Oxygen Transport Pathways Across Sr‐Doped Lanthanum Ferrite and Metal‐Perovskite Heterostructures

Abstract Perovskite structured transition metal oxides are important technological materials for catalysis and solid oxide fuel cell applications. Their functionality often depends on oxygen diffusivity and mobility through complex oxide heterostructures, which can be significantly impacted by structural and chemical modifications, such as doping. Further, when utilized within electrochemical cells, interfacial reactions with other components (e.g., Ni‐ and Cr‐based alloy electrodes and interconnects) can influence the perovskite's reactivity and ion transport, leading to complex dependencies that are difficult to control in real‐world environments. Here, this work uses isotopic tracers and atom probe tomography to directly visualize oxygen diffusion and transport pathways across perovskite and metal‐perovskite heterostructures, that is, (Ni‐Cr coated) Sr‐doped lanthanum ferrite (La 0.5 Sr 0.5 FeO 3 ; LSFO). Annealing in 18 O 2(g) results in elemental and isotopic redistributions through oxygen exchange (OE) in the LSFO while Ni‐Cr undergoes oxidation via multiple mechanisms and transport pathways. Complementary density functional theory calculations at experimental conditions provide rationale for OE reaction mechanisms and reveal a complex interplay of different thermodynamic and kinetic drivers. These results shed light on the fundamental coupling of defects and oxygen transport in an important class of catalytic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Designing a repository in domal salt: The influence of design variants in different modelling environments

To understand the long-term environmental impact of disposing radioactive waste of in a deep geological repository and to optimise its design, performance assessments are used. In this study, four teams (COVRA, GRS, Quintessa, and DOE) modified the previously developed generic repository of DECOVALEX task F2 to identify commonalities and differences between the teams for specific changes in repository design. The teams tested six design modifications: (1) Replacing concrete abutments with run-of-mine salt; (2) Replacing the salt seal with a concrete abutment and using run-of-mine salt instead for the two concrete abutments in each drift seal; (3) Halving the size of the infrastructure area; (4) Using run-of-mine salt instead of gravel for backfilling the infrastructure area; (5) Disposal of spent nuclear fuel without the POLLUX-10 containers (6); Lower initial saturation of the spent nuclear fuel and vitrified waste disposal drifts. Despite different modelling strategies used, models agreed that a smaller infrastructure area has a limited effect on radionuclide transport. Responses to the absence of the two concrete abutments in each seal, the use of single large concrete abutments (200 m each), or the use of run-of-mine salt in the infrastructure area differ between teams due to differing modelling assumptions. Based on these results, the estimated efficacy of containment depends strongly on the model assumptions of each team. More specifically, it appears to depend on the compaction model used and therefore on the backfill material used in different areas of the repository. However, the drift seal appears to be a critical design element in all models, effectively limiting radionuclide transport by hydrologically disconnecting sections of the repository. Additional beneficial design choices include the use of dry salt in disposal drifts to limit radionuclide transport and reducing the infrastructure area costs and minimizing host rock damage.

DECOVALEX↗