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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Pits 101: The true meaning of deterrence

Mark Davis (ALDWP-COO) is the Chief Operation Officer for the Associate Laboratory Directorate of Weapons Production, where he focuses on ramping up operations in the Plutonium Facility in support of the directorate's programs, including the plutonium pit mission. Davis has had an accomplished career in the U.S. Navy that has compelled him to inspire those who support our nation's national security through sharing stories of our nation's history and the individuals who have been world-changers. He is passionate not only about our national security mission here at the Lab, but also about ensuring every employee understands that they play a key role in the mission, no matter their day job. In this special edition of the Pits 101 series, Public Affairs sat down with Davis to get his perspective on the meaning of credible and sustainable strategic deterrence, and why it matters today.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

Exploratory Synthesis for Reactive f-Element Separations without Solvent

Solvent extraction is commonly used to separate different f-metals found in spent nuclear fuel, but this process results in large volumes of highly contaminated liquid waste that must be remediated or stored at significant expense. The project funded under this award was aimed at addressing solvent-related issues encountered in conventional f-metal separations. Our strategy focused on using solvent-free mechanochemical reactions to prepare lanthanide and actinide borohydride complexes so that they could be separated based on differences in their volatility. Key deliverables described in this report include proof-of-principle results demonstrating that borohydrides called aminodiboranates can be used for volatile lanthanide/lanthanide and lanthanide/uranium separations, as we proposed. Moreover, exploration of a closely related class of borohydrides called phosphinodiboranates allowed us to identify underlying chemical factors that control the volatility of trivalent lanthanide and uranium borohydride complexes with identical structures. Details of published and pending research products are provided, and these include comprehensive synthesis and characterization efforts required to support fundamental studies related to the proposed separations. These technical efforts supported the training of nine graduate students and three undergraduate researchers, and they established air-sensitive transuranic capabilities at the University of Iowa to enhance radiochemical workforce development

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Evaluation of obstacle modelling approaches for resource assessment and small wind turbine siting: case study in the northern Netherlands

Abstract. Growth in adoption of distributed wind turbines for energy generation is significantly impacted by challenges associated with siting and accurate estimation of the wind resource. Small turbines, at hub heights of 40 m or less, are greatly impacted by terrestrial obstacles such as built structures and vegetation that can cause complex wake effects. While some progress in high-fidelity complex fluid dynamics (CFD) models has increased the potential accuracy for modelling the impacts of obstacles on turbulent wind flow, these models are too computationally expensive for practical siting and resource assessment applications. To understand the efficacy of available models in situ, this study evaluates classic and commonly used methods alongside new state-of-the-art lower-order models derived from CFD simulations and machine learning approaches. This evaluation is conducted using a subset of an extensive original dataset of measurements from more than 300 operational wind turbines in the northern Netherlands. The results show that data-driven methods (e.g. machine learning and statistical modelling) are most effective at predicting production at real sites with an average error in annual energy production of 2.5 %. When sufficient data may not be available de novo to support these data-driven approaches, models derived from high-fidelity simulations show promise and reliably outperform classic methods. On average these models have 6.3 %–11.5 % error compared with 26 % for classic methods and 27 % baseline error for reanalysis data without obstacle correction. While more performant on average, these methods are also sensitive to the quality of obstacle descriptions and reanalysis inputs.

17 WIND ENERGY↗
DOE OSTI2023

Tracking alternative versions of the galactose gene network in the genus Saccharomyces and their expansion after domestication

In this yeast, the study of trait variation at the population level led to the detection of distinct sets of GAL structural genes. Besides the reference version, present in most strains, alternative highly divergent alleles supporting faster growth on galactose were recently uncovered in strains associated with dairy products and also in some wild strains.

Genetics↗
DOE OSTI2021

Nuclear Deactivation and Downgrade of Enriched Uranium Facilities at the Y-12 National Security Complex

Buildings 9206 and 9212 at the Y-12 National Security Complex are both Hazard Category 2 nuclear facilities from the Manhattan Project era that supported various missions over the decades, including the processing of enriched uranium. The production mission for Building 9206 ended in the 1990s, while Building 9212 is still an active production facility. The disposition process for contaminated excess facilities is generally described in the U.S. Department of Energy (DOE) Guide DOE O 430.1A, Life Cycle Asset Management, which provides guidance on facility surveillance and maintenance, deactivation, decommissioning, and transition in supplemental guides DOE G 430.1-2 through 430.1-5. Historically, production facilities similar to Buildings 9206 and 9212 have not always been cleaned out and deactivated prior to being excessed, which significantly complicates the decommissioning phase. Many legacy facilities were shut down before the formal DOE guidance was established. This paper presents the practical application and implementation of the DOE guidance for the nuclear deactivation of Buildings 9206 and 9212, and summarizes the lessons learned for application across the DOE enterprise.

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

AGR-5/6/7 Fuel Fabrication Report

The U.S. Department of Energy Office of Nuclear Energy (DOE NE) and the Idaho National Laboratory (INL) Advanced Reactor Technologies (ART) Advanced Gas Reactor (AGR) Fuel Development and Qualification program (referred to as AGR Fuel program hereafter) are pursuing qualification of tristructural isotropic (TRISO) coated particle fuel for use in high temperature gas cooled reactors (HTGRs). The AGR Fuel program was established to provide a fuel qualification data set in support of the licensing and operation of an HTGR. BWX Technologies Nuclear Operations Group (BWXT-NOG) was subcontracted to fabricate the fuel for the AGR program. Several investments and innovations were realized in preparation to fabricate fuel for the AGR-5/6/7 irradiation experiments that brought fuel fabrication fully out of the laboratory and into engineering-scale operations. These included: • Increased the kernel fabrication line capacity and uniformity • Upgraded ancillary support equipment and processes for the tristructural isotropic (TRISO) coating furnace • Demonstrated efficient production of the matrix precursor powder by dry jet milling of co mingled components • Demonstrated an engineering-scale method for quick and efficient overcoating TRISO particles with the matrix precursor • Demonstrated an automated, multi cavity compacting system with a volumetric feed system • Demonstrated a combined-cycle thermal treatment furnace These changes increased production rates of some of these processes by an order of magnitude or more while eliminating the use of flammable solvents, multiple grinding and sorting operations, and the weighing out of individual die charges. Three fuel kernel lots were fabricated for production of the fuel for AGR-5/6/7. The initial lot (J52R-16-39316) was certified to fuel specifications but was not used because the kernels had a high fraction of internal fissures that caused an unacceptable fraction of the kernels to fragment when charged to the coating furnace where the TRISO coating would be deposited. Fragmented kernels increased the dispersed uranium in the particles and produced a worrisome fraction of dimpled particles with an elevated probability of in-pile failure. After some efforts to identify the cause of the fissure formation, two additional lots were produced with much lower fissure fractions, J52R-16-69317 and 69318. The latter kernel lot was a backup to the first and was not needed. Multiple kernel batches were composited to form each of the lots so as to simulate a commercial-scale operation where kernel batches would also be composited. Multiple TRISO coating runs were performed and the product characterized so that several could be composited into a TRISO lot. TRISO lot J52R-16-98005 conformed to all fuel specifications except the mean outer pyrocarbon (OPyC) layer thickness was thinner than specified. Furthermore, it was determined that the TRISO lot had a dispersed uranium fraction (DUF) that might result in the compacts not meeting the DUF specification. A review of the role of the OPyC layer and consequences of the DUF by the Technical Coordination Team and INL concluded that the fuel was acceptable for use in the AGR-5/6/7 irradiation experiment. The TRISO particles were overcoated with the matrix precursor that had been produced in a jet-milling operation. The overcoating was performed in equipment originally designed to coat pharmaceuticals. The overcoating process performed well; producing highly spherical and uniform overcoats requiring little upgrading and no recycle or rework. TRISO particles were overcoated with the matrix precursor to achieve nominal volumetric packing fractions (PFs) of TRISO particles of 25% and 40% for the irradiation experiments. The 40% PF compacts occupy the first and fifth test capsule in the test train while the inner three capsules are loaded with 25% PF compacts. The resinated graphite matrix precursor powder was a derivative of the German A3-27 matrix formulation, which differs from previous AGR irradiation campaigns that used an A3-3 formulation. Jet milling of the matrix powder precursor produced a finer mean graphite particle size than the milling operations used for the A3-3 matrix powder precursor. Changes made in the matrix formula and equipment yielded compacts with significantly higher matrix density than was attained in previous AGR irradiation campaigns. The changes in the matrix formulation and the means of milling the powders also complicated resolution of the three fuel compact defect fractions, DUF, exposed kernel fraction (EKF), and the silicon carbide defect fraction (SDF). Characterization data from BWXT-NOG had some anomalous results, so samples of the fuel compacts and overcoated TRISO particles were also analyzed by Oak Ridge National Laboratory (ORNL) to ensure that the defect fractions were accurately characterized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Nuclear Deactivation and Downgrade of Enriched Uranium Facilities at the Y-12 National Security Complex

Buildings 9206 and 9212 at the Y-12 National Security Complex are both Hazard Category 2 nuclear facilities from the Manhattan Project era that supported various missions over the decades, including the processing of enriched uranium. The production mission for Building 9206 ended in the 1990s, while Building 9212 is still an active production facility. The disposition process for contaminated excess facilities is generally described in the U.S. Department of Energy (DOE) Guide DOE O 430.1A, Life Cycle Asset Management, which provides guidance on facility surveillance and maintenance, deactivation, decommissioning, and transition in supplemental guides DOE G 430.1-2 through 430.1-5. Historically, production facilities similar to Buildings 9206 and 9212 have not always been cleaned out and deactivated prior to being excessed, which significantly complicates the decommissioning phase. Many legacy facilities were shut down before the formal DOE guidance was established. This paper presents the practical application and implementation of the DOE guidance for the nuclear deactivation of Buildings 9206 and 9212, and summarizes the lessons learned for application across the DOE enterprise.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Precursor Analysis Report: Cyber Attack on Thyssenkrupp Blast Furnace 2014

The Cyber Attack on Thyssenkrupp Blast Furnace 2014 Precursor Analysis Report leverages publicly available information about the Thyssenkrupp Steel Mill cyber attack and catalogs anomalous observables for each technique employed in the attack. This analysis is based upon the methodology of the Cybersecurity for the Operational Technology Environment (CyOTE) program. In December 2014, the German Government’s Federal Office for Information Security (BSI) released a report detailing a cyber attack on a German steel mill that occurred earlier that year, though exact dates and details of the attack were not revealed. While the report did not specify the name of the company, multiple sources identified the victim as one of Europe’s largest steel manufacturers, Thyssenkrupp AG. Further, Thyssenkrupp announced on 16 May of that year that Europe’s largest blast furnace, “Schwelgern 2,” located at its facility in Duisburg, Germany, would be offline for several weeks for repairs and upgrades, suggesting Schwelgern 2 was likely the target of the attack. The attack began in early 2014, when adversaries infiltrated the victim steel mill’s Information Technology (IT) network via a spearphishing campaign, then worked their way into the Operational Technology (OT) environment, where they executed software that caused denial of service, denial of control, and eventually a loss of control. This led to the blast furnace shutting down without proper safety procedures, resulting in catastrophic physical damage. No lives were lost in the incident, but ThyssenKrupp suffered $4 million in damage to the blast furnace and an additional $6 million in lost revenue. The adversaries required specialized knowledge and expertise in steel production, which enabled them to compromise a variety of internal systems and components across both IT and OT networks. The attack also demonstrated detailed knowledge of the industrial control systems (ICS) and production processes being used. This combination resulted in one of the earliest known publicly reported cybersecurity incidents resulting in physical damage to ICS equipment. Researchers and analysts identified 19 unique techniques (used in a sequence of 20 steps) utilized during the attack with a total of 454 observables using MITRE ATT&CK® for Industrial Control Systems. The CyOTE program assesses observables accompanying techniques used prior to the triggering event to identify opportunities to detect malicious activity. If observables accompanying the attack techniques are perceived and investigated prior to the triggering event, earlier comprehension of malicious activity can take place. Fifteen of the identified techniques used during the Thyssenkrupp cyber attack were precursors to the triggering event. Analysis identified 369 observables associated with these precursor techniques, 316 of which were assessed to have an increased likelihood of being perceived in the 120 days preceding the triggering event. The response and comprehension time could have been reduced if the observables had been identified earlier. The information gathered in this report contributes to a library of observables tied to a repository of artifacts, data sources, and technique detection references for practitioners and developers to support the comprehension of indicators of attack. Asset owners and operators can use these products if they experience similar observables or to prepare for comparable scenarios.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Chronostratigraphy of talus flatirons and piedmont alluvium along the Book Cliffs, Utah – Testing models of dryland escarpment evolution

Research on the evolution of dryland escarpments and what drives and controls their erosional retreat have been limited by a lack of chronologically constrained records. Prior investigations of escarpments in the southwestern U.S. and globally garner two endmember conceptual models -- one focused on bottom-up baselevel drivers and autogenic variations in piedmont and toeslope erosion processes, the other focused on the role of climate as a top-down forcing mechanism on sediment production and transport from cliffs. In this work, we test these conceptual models along a section of the Book Cliffs in central Utah, where climate has varied strongly and baselevel has fallen significantly over the late Quaternary. Four generations of talus flatirons and piedmont terraces are preserved in the study area we date them by optically stimulated luminescence and 10Be-exposure techniques. OSL depositional ages cluster into four generations of deposits with mean ages and mean standard errors of 117.8 ± 6.7 ka, 83.4 ± 3.3 ka, 52.4 ± 1.8 ka, and 5.6 ± 0.3 ka. 10Be-exposure results from talus boulders protruding from flatirons confirm that the youngest generation of talus is Holocene, with recent rock-fall boulders still being received on the landform top. Older flatiron generations produce incoherent, minimum exposure ages reflecting an increasing dominance of in situ boulder weathering and a steady-state denudation rate of ~45 mm/ky after tens of thousands of years. Based on the chronostratgraphy and correlation of talus and piedmont deposits, we interpret climate as the primary control on escarpment evolution. Depositional ages do not correspond to glacial epochs as historically presumed, but instead to episodes of intermediate and unstable or variable Pleistocene climate during Marine Isotope Stage-3 and 5 a/b. Results support the significance of high climate variability at millennial timescales in driving both sediment production by mass wasting from the cliff as well as sediment storage and reworking along the piedmont. In contrast, wetter climates of glacial epochs apparently caused greater erosion and sediment transport to trunk drainages. Our chronology also reveals a systematic decrease in deposit age with increasing distance up the piedmont from the regional baselevel of the Price River, consistent with transient fluvial incision and terrace abandonment. The Book Cliffs record notably does not correlate with similarly constrained records in Spain or the contrasting record from the Negev, yet they all share the feature of enhanced talus deposition and cliff retreat corresponding to climate instability rather than in response to steady glacial-climate conditions. Thus, we outline a model of escarpment evolution and retreat governed largely by top-down climate-forcing of sediment production and transport during climate variability, with local changes in baselevel and erosional processes on the piedmont being a modifying, secondary factor.

58 GEOSCIENCES↗
DOE OSTI2020

Computationally Aided Design of a Small-Scale Waste-Glass Melter - 20452

To provide mission support to the WTP for the vitrification of legacy nuclear tank waste at the Hanford site, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The waste stored in underground tanks will be separated into HLW and LAW fractions, where the majority is LAW by mass (approximately 90%) and HLW by activity (greater than 95%). The first tank waste to be processed at the WTP will be LAW. Because Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high cost of full-scale radioactive operations and to provide an engineering platform in close proximity to local operations staff. The objectives of this computational modeling effort are to produce process conditions like those encountered in the WTP LAW melters and to minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area or melter-glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models was developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten-glass pool and within the bulk-glass pool. Since melt rate correlates with the velocity underneath the cold cap, this information can be used to select design features that produce the highest gains. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Chemical Thermodynamic Modeling of Molten Salts to Support Off-Gas Abatement Systems

The reprocessing of used nuclear fuel by any means will liberate gaseous fission products, such as hydrogen ( 3 H), carbon ( 14 C), noble gases ( 85 Kr), and halogens ( 129 I), from the irradiated fuel. These elements will distribute through chemical processing operations and partition into process off-gas streams, and the specific volatile release fractions will be dictated by the chemical and physical properties of the system. A recent assessment found that there were significant knowledge gaps regarding the release quantities of volatile radionuclides from individual unit operations. These knowledge gaps limited the ability to determine what dedicated off-gas treatment technologies could be required for electrochemical-based reprocessing facilities. Unfortunately, experimental efforts to quantify release fractions are limited by the challenges associated with performing experiments using irradiated fuel. This report documents preliminary thermodynamic predictions of iodine and tritium release from chloride-based molten salts as part of an effort to better direct resources toward those experiments (both simulant and irradiated) that will be of the greatest impact. It was predicted that less than 0.5% of tritium was expected to be released and that nearly all of that amount would be released as H 2 . Thermochemical data for hydrogen (H 2 ) are of high fidelity, and no additional validation is recommended. Less than 0.05% of iodine was predicted to be released, with the primary volatile species being Cs 2 I 2 . Unlike the tritium predictions, the data underpinning the iodine release predictions are of low quality. It is recommended that a limited experimental program be dedicated to expanding the current physical property and thermodynamic property data for iodine in electrochemical processing and molten salt conditions, including vapor pressure measurements for the dimerized species predicted to comprise the majority of iodine release. Validating and improving the thermodynamic properties used in predictive modeling can reduce the need for expensive testing with irradiated fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Direct catalytic conversion of alcohols to olefins of higher carbon number with reduced ethylene production

A catalyst composition for converting an alcohol to olefins, the catalyst composition comprising the following components: (a) a support (e.g., particles) comprising silicon and oxygen; (b) at least one of copper and silver residing on and/or incorporated into said support; and (c) at least one lanthanide element residing on and/or incorporated into said support. The catalyst may also further include component (d), which is zinc. Also described herein is a method for converting an alcohol to one or more olefinic compounds (an olefin fraction) by contacting the alcohol with a catalyst at a temperature of at least 100° C. and up to 500° C. to result in direct conversion of the alcohol to an olefin fraction containing one or more olefinic compounds containing at least three carbon atoms; wherein ethylene and propylene are produced in a minor proportion of the olefin fraction, and butenes and higher olefins are produced in major proportion.

Li, Zhenglong↗
DOE OSTI2025

Polyethylene Upcycling to Diacids Using Acid-Only Activation

There is a pressing need to develop plastic recycling technologies. Chemical upcycling converts low-value waste plastics into higher-value products. Here, polyethylene (PE) upcycling is accomplished by using acid-only activation of PE (PEAA), thus eliminating costly and toxic organic solvents. Acid mixtures of chlorosulfuric acid (CSA) and sulfuric acid (SA) were used to effectively sulfonate PE, allowing for subsequent facile depolymerization. Molecular deconstruction of sulfonated PE using H 2 O 2 in the presence of an Fe(III) catalyst achieved molar yields of C 2 –C 4 diacids exceeding 40% (based on estimates of acids generated from sulfonates). The sulfonation step using PEAA is hypothesized to follow a shrinking core mechanism (SCM), in which PE particles quickly reach a saturated state in the outer sulfonated layer as CSA diffuses radially inward. This proposed mechanism is supported by the fact that, regardless of the extent of sulfonation, similar molar yields of products and ratios of liberated carbon to sulfur are observed. Modeling and experimentation show that deviations from the SCM occur by lowering the Damköhler number (Da) or increasing CSA solubility in PE. In both cases, CSA diffusion is enhanced, which favors kinetically limited sulfonation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A High-Fidelity Modeling Tool to Support the Design of Oxy-Combustors for Direct-Fired Supercritical CO2 Cycles

The challenge in the design of oxy-combustors for direct-fired supercritical CO 2 (sCO 2 ) cycles is in addressing disparate performance metrics and objectives. Key design parameters to consider include, among others, injector design for mixing and flame stability, split of recycled CO 2 diluent between injectors and cooling films, target flame temperatures to control noncondensable products, and strategies to inject the diluent CO 2 for film cooling and thermal control. In order to support novel oxy-combustor designs, a high-fidelity yet numerically efficient modeling framework based on the CRUNCH CFD® flow solver is presented, featuring key physics-based submodels relevant in this regime. For computational efficiency in modeling large kinetic sets, a flamelet/progress variable (FPV) based tabulated-chemistry approach is utilized featuring a three-stream extension to allow for the simulation of the CO 2 film cooling stream in addition to the fuel and oxidizer streams. Finite rate chemistry effects are modeled in terms of multiple progress variables for the primary flame as well as for slower-evolving chemical species such as NO x and SO x contaminants. Real fluid effects are modeled using advanced equations of states. The predictive capabilities of this computationally tractable design support tool are demonstrated on a conceptual injector design for an oxy-combustor operating near 30 MPa. Simulations results provide quantitative feedback on the effectiveness of the film cooling as well as the level of contaminants (CO, NO, and N) in the exhaust due to impurities entering from the injectors. These results indicate that this framework would be a useful tool for refining and optimizing the oxy-combustor designs as well as risk mitigation analyses.

Engineering↗
DOE OSTI2020

Sorbmatech{sup R}Cs, an Innovative Highly Selective Cs Sorbent for Wastewater Decontamination - 20065

The treatment of radioactive wastewater from the operating nuclear industry (energy production, reprocessing of spent fuel, decommissioning of shut-down facilities, etc.) or in case of incidental or accidental situation (such as Fukushima Daichii NPP accident) is an important issue requiring constant improvement of the technologies and techniques used to prevent radioactive releases into the environment and/or to reduce the production of secondary waste. CEA, Orano and CTI are collaborating since 2014, with the support of the French government's program 'investments for the future', to develop Sorbmatech{sup R}Cs, an innovative and patented selective sorbent (Grandjean and Barre 2014) to deal with the removal of radioactive {sup 137}Cs, one of the most hazardous isotope to be managed in nuclear waste, highly efficient either in agitated reactor or in column process. Sorbmatech{sup R}Cs sorbent consists of mesoporous silica particles loaded with potassium-copper hexacyanoferrate nanoparticles (KCu-HCF). This peculiar structure enables much faster sorption kinetics compared to denser crystalline structures, such as Silicotitanate or Zeolite sorbents, whose drawback consists in hindering the diffusion process through the material, and whose larger sorbent particles slow down the ion exchange process. The equilibrium of Sorbmatech{sup R}Cs is reached in few minutes, even at high flow rates in a fixed-bed column process (up to 10 m.h{sup -1} Darcy velocity) with low drop pressure. Moreover, Sorbmatech{sup R}Cs can be used over a wide pH range from 2 to 10 and has a very high selectivity towards {sup 137}Cs even in brine solution (saline, mineral or sea water). This new sorbent also has a K{sub d} higher than 10{sup 5} mL.g{sup -1} depending on the salinity of the wastewater, enabling a highly efficient removal of Cs trace in radioactive wastewater compared to Cs selective sorbent such as Zeolites and Silicotitanates. Its radiological resistance enables the treatment of high, medium and low activity wastewater. The CEA-Orano-CTI/ALSYS partnership leads to the development of a simple and low-cost synthetic route, which demonstrated large-scale manufacturing of the product on a batch of 100 kg. Two products have been developed and are ready for short run market introduction so far with grain size well adapted either for column processes or agitated reactors.. Finally, the industrial implementation has been studied and largely benefits from the properties of the sorbent. Indeed, its high sorption kinetics enable high flow rates resulting in a decrease of operation times, unit sizes, and volumes of secondary waste produced. Moreover, Sorbmatech{sup R}Cs is designed to be combined into a full and integrated solution, ranging from preliminary optimization of operating conditions through numerical dimensioning model, industrial implementation and treatment of the wastewater (through cartridge or preconditioned columns systems developed thanks to Orano's extensive expertise), to long-term stabilization of generated waste (under progress). (authors)

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

A decay database of coincident γ–γ and γ–X -ray branching ratios for in-field spectroscopy applications

Current fieldable spectroscopy techniques often use single detector systems heavily impacted by interferences from intense background radiation fields. These effects result in low-confidence measurements that can lead to misinterpretation of the collected spectrum. To help improve interpretation of the fission products and short-lived radionuclides produced in a composite sample, a coincidence-database is being developed in support of a robust portable and X-ray coincidence detector system concurrently under development at the Pacific Northwest National Laboratory for in-field deployment. Hitherto, no database exists containing coincident γ–γ and γ–X-ray branching-ratio intensities on an absolute scale that will greatly enhance isotopic identification for in-field applications. As part of this project, software has been developed to parse all radioactive-decay data sets from the Evaluated Nuclear Structure Data File (ENSDF) archive to enable translation into a more useful JavaScript Object Notation (JSON) formats that more readily supports query-based data manipulation. The coincident database described in this work is the first of its kind and contains coincidence γ–γ and γ–X-ray intensities and their corresponding uncertainties, together with auxiliary metadata associated with each decay data set. The new JSON format provides a convenient and portable means of data storage that can be imported into analysis frameworks with relatively low overhead allowing for meaningful comparison with measured data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Nonlinear model predictive control for mode‐switching operation of reversible solid oxide cell systems

Abstract Solid oxide cells (SOCs) are a promising dual‐mode technology for the production of hydrogen through high‐temperature water electrolysis, and the generation of power through a fuel cell reaction that consumes hydrogen. Switching between these two modes as the price of electricity fluctuates requires reversible SOC operation and accurate tracking of hydrogen and power production set points. Moreover, a well‐functioning control system is important to avoid cell degradation during mode‐switching operation. In this article, we apply nonlinear model predictive control (NMPC) to an SOC module and supporting equipment and compare NMPC performance to classical proportional‐integral (PI) control strategies, while switching between the modes of hydrogen and power production. While both control methods provide similar performance across various metrics during mode switching, NMPC demonstrates a significant advantage in reducing cell thermal gradients and curvatures (mixed spatial‐temporal partial derivatives), thereby helping to mitigate long‐term degradation.

08 HYDROGEN↗
DOE OSTI2021

Cytochrome P450–catalyzed biosynthesis of furanoditerpenoids in the bioenergy crop switchgrass ( Panicum virgatum L.)

Specialized diterpenoid metabolites are important mediators of plant-environment interactions in monocot crops. To understand metabolite functions in plant environmental adaptation that ultimately can enable crop improvement strategies, a deeper knowledge of the underlying species-specific biosynthetic pathways is required. Furthermore, we report the genomics-enabled discovery of five cytochrome P450 monooxygenases (CYP71Z25-CYP71Z29) that form previously unknown furanoditerpenoids in the monocot bioenergy crop Panicum virgatum (switchgrass). Combinatorial pathway reconstruction showed that CYP71Z25-CYP71Z29 catalyze furan ring addition directly to primary diterpene alcohol intermediates derived from distinct class II diterpene synthase products. Transcriptional co-expression patterns and the presence of select diterpenoids in switchgrass roots support the occurrence of P450-derived furanoditerpenoids in planta. Integrating molecular dynamics, structural analysis and targeted mutagenesis identified active site determinants that contribute to the distinct catalytic specificities underlying the broad substrate promiscuity of CYP71Z25-CYP71Z29 for native and non-native diterpenoids.

59 BASIC BIOLOGICAL SCIENCES↗