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At least 811 records · Page 45

Equipment Procurement and Final Design for the MARVEL High-Grade Heat Extraction System (HGHES)

This summer I worked on the design of a high-grade heat extraction system (HGHES) of the MARVEL Project. The MARVEL project at INL is a first-of-a-kind terrestrial microreactor to help provide a test platform to demonstrate the use of a microreactor to end customers and enable technology developers to test enabling microreactor technologies with a functional nuclear reactor. One of the project's main requirements is the reactors’ ability to deliver high-grade thermal power to end users, both for industrial and commercial use. The project required communication with multiple vendors for custom-made equipment, working with a high-temperature and high-pressure helium coolant system, and research of a Thermal Storage Unit (TSU).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Data Challenges in Multi-Sensor Data Science System for Monitoring a Solvent Extraction Process

Idaho National Laboratory (INL) is maintaining and gaining knowledge into the nuclear fuel cycle by building a test bed to allow researchers the opportunity to study nuclear fuel processing operations. This includes studying solvent extraction processes that use centrifugal contactors. As part of INL’s mission, the goal of this project is to develop a system that utilizes non-traditional measurement sources such as vibration, acoustics, current, light, flow, and temperature in conjunction with data-based, machine learning techniques that will allow for signal discovery. This multisensory data can support the development of safeguards by design, provide operator process awareness, and discover process anomalies. This poster will highlight some of the data collection and analytics challenges for the multi-sensor system as well as the mitigation strategies to build a robust system. Additionally, some preliminary data from the first testing campaign will be shown to help illustrate the data needs of the system.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Preliminary Results of a Multi-Sensor Data Science System for Monitoring a Solvent Extraction Process

Idaho National Laboratory is building a test bed to allow researchers the opportunity to study nuclear fuel processing operations. This includes studying the solvent extraction process and the use of centrifugal contactors. The goal of this project is to develop a system that utilizes non-traditional measurement sources such as vibration, acoustics, current, color, flow, and temperature in conjunction with data-based, machine learning techniques that will allow for signal discovery. This multi-sensor data supports the development of safeguards by design, provides operator process awareness, and aids in the discovery of process anomalies. This paper highlights some of the preliminary results from initial data collection campaigns and shares some of the lessons learned.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Challenges and Solutions in Operation and Lay-Up of the Modular Caustic- Side Solvent Extraction Unit - 20078

The Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) was designed and constructed to provide interim salt waste processing so that the Liquid Waste Disposition Program (LWDP) could continue waste removal and tank closure until start-up of the Salt Waste Processing Facility (SWPF). MCU processes Clarified Salt Solution (CSS), or salt solution (SS) that has undergone actinide removal/filtration, to produce two waste streams: the cesium laden Strip Effluent (SE), which is incorporated into glass at the Defense Waste Processing Facility (DWPF), and the cesium depleted Decontaminated SS (DSS), which is incorporated into grout at the Saltstone Production Facility (SPF). MCU completed start-up in 2008 with an initial operating life of 3 years and design life of 5 years. Prior to reaching the end of the design life, multiple critical components were upgraded and/or replaced to mitigate risks associated with any delays in SWPF start-up. During the remainder of operation (until June 2019), MCU was challenged to maximize processing with minimal additional modifications to repair/improve aging infrastructure, while maintaining low levels of risk to workers and the environment. Notable challenges during the extended operating life of the facility involved both mechanical and operational issues. Two of the most significant issues were the increased frequency of Process Vessel Ventilation (PVV) High Efficiency Particulate Air (HEPA) filter change-outs and the biofouling of the SE coalescer (SEC). The major impacts of both issues were that replacement of these components 1) resulted in high exposure to workers, and 2) required substantial downtime, thus hindering achievement of processing goals. PVV HEPA filter replacements are required based on dose rate and differential pressure (dP) limits. After introducing a higher-curie feed to MCU, the operating time between change outs was reduced by approximately half. SEC replacements are required based on dP limits. After restarting from an extended outage, the operating life of the SEC was significantly reduced by more than half due to biofouling. As a result of extensive troubleshooting and process improvements, the facility was able to recover performance and extend the operating life of the PVV HEPA filters and the SEC media. Through troubleshooting both of these issues, the facility was also able to learn from prior experience and adapt in order to minimize down time and maintain throughput. Although the facility took advantage of short periods of downtime to perform nonintrusive troubleshooting and minor corrective/preventative maintenance activities, longer outages were periodically required for corrective maintenance involving process cell entry. During these outages, remote tools and specialized shield plates were employed to minimize dose to workers. Mock-ups of non-routine maintenance activities were critical to early identification of potential issues and improvements, which shortened outage duration. Consistent with the facility's operational strategy, evolutions needed for MCU layup were identified and sequenced to ensure safe conditions within the facility, meet pre-defined criteria for lay-up configuration, and protect workers, while minimizing the impact to SWPF integration. De-inventory and flushing of process areas was prioritized so that the total residual inventory was reduced as efficiently as possible. This paper discusses lessons learned and best practices from troubleshooting unique issues, performing complex maintenance activities, and implementing a layup strategy that best supports the overall system mission. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Investigating the Impacts of Direct Dissolution Conditions on the Radiolytic Longevity of Butyramide Extractants

Removing the nitric acid (HNO3) dissolution step in used nuclear fuel (UNF) reprocessing would reduce the volume of radioactive waste streams generated, thereby, improving process efficiency. A promising strategy for this is the direct dissolution of UNF that has been pretreated by voloxidation into an organic solvent composed of specialized extractants and diluent. However, removal of the aqueous HNO3 phase from the envisioned reprocessing system has the potential to drastically change the suite of radiation-induced processes occurring, and thus, alter the longevity of proposed reagents. Furthermore, the impacts of fission product and transuranic metal ion complexation on the aforementioned radiation-induced processes is poorly understood, and yet can cause significant changes in radiolytic longevity. To bridge these knowledge gaps and support the continued development of direct dissolution strategies, we present an investigation into the impacts of direct dissolution conditions on the gamma radiation-induced degradation of N,N-di-(2-ethylhexyl) butyramide (DEHBA) and N,N-di-(2-ethylhexyl)isobutyramide (DEHiBA) ligands—candidate replacements for tributyl phosphate—in pre-equilibrated n-dodecane solvent in the presence and absence of envisioned loading amounts of uranium.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Effect of Palladium‐Tetrakis(Triphenylphosphine) Catalyst Traces on Charge Recombination and Extraction in Non‐Fullerene‐based Organic Solar Cells

Abstract The effect of the cross‐coupling catalyst tetrakis(triphenylphosphine)palladium(0) (Pd(PPh 3 ) 4 ) on the performance of a model organic bulk‐heterojunction solar cell composed of a blend of poly([2,6′‐4,8‐di(5‐ethylhexylthienyl)benzo[1,2‐b;3,3‐b]dithiophene]{3‐fluoro‐2[(2‐ethylhexyl)carbonyl]thieno[3,4‐b]thiophenediyl}) (PTB7‐Th) donor and 3,9‐bis(2‐methylene‐((3‐(1,1‐dicyanomethylene)‐6,7‐difluoro)‐indanone))‐5,5,11,11‐tetrakis(4‐hexylphenyl)‐dithieno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (IOTIC‐4F) non‐fullerene acceptor is investigated. The effect of intentional addition of different amounts of Pd(PPh 3 ) 4 on morphology, free charge carrier generation, non‐geminate bulk trap‐ and surface trap‐assisted recombination as well as bimolecular recombination and charge extraction is quantified. This work shows that free charge carrier generation is affected significantly, while the impact of Pd(PPh 3 ) 4 on non‐geminate recombination processes is limited because the catalyst does not facilitate efficient trap‐assisted recombination. The studied system shows substantial robustness towards the addition of Pd(PPh 3 ) 4 in small amounts.

Schopp, Nora↗

Protein3D: Enabling analysis and extraction of metal‐containing sites from the Protein Data Bank with molSimplify

Abstract Metalloenzymes catalyze a wide range of chemical transformations, with the active site residues playing a key role in modulating chemical reactivity and selectivity. Unlike smaller synthetic catalysts, a metalloenzyme active site is embedded in a larger protein, which makes interrogation of electronic properties and geometric features with quantum mechanical calculations challenging. Here we implement the ability to fetch crystallographic structures from the Protein Data Bank and analyze the metal binding sites in the program molSimplify. We show the usefulness of the newly created protein3D class to extract the local environment around non‐heme iron enzymes containing a two histidine motif and prepare 372 structures for quantum mechanical calculations. Our implementation of protein3D serves to expand the range of systems molSimplify can be used to analyze and will enable high‐throughput study of metal‐containing active sites in proteins.

Edholm, Freya↗

Broccoli seed extract rich in polysaccharides and glucoraphanin ameliorates DSS ‐induced colitis via intestinal barrier protection and gut microbiota modulation in mice

Abstract BACKGROUND Broccoli has received widespread attention because of its anti‐inflammatory and antioxidant effects. The present study aimed to explore the composition of broccoli seed extract (BSE) and its effect on colitis induced by dextran sulfate sodium (DSS). RESULTS BSE mainly comprises glucoraphanin and polysaccharides composed of arabinose, galactose, glucose and mannose. Animal experiments suggested that BSE intervention effectively reversed body weight loss, suppressed the levels of proinflammatory interleukin‐6, tumor necrosis factor‐α and interleukin‐1β, and elevated the levels of anti‐inflammatory interleukin‐10 and the activities of superoxide dismutase and glutathione in DSS‐induced colitis mice. According to histopathologic and immunohistochemical analysis of colon tissue, BSE intervention may repair the intestinal barrier by upregulating mRNA levels and the expression of tight junction proteins (claudin‐1, occludin and zonula occludens‐1). Gas chromatography–mass spectrometry (MS) analysis demonstrated that cecal short‐chain fatty acids in mice with BSE administration were significantly increased compared with the model group. Sulforaphane and sulforaphane‐ N ‐acetylcysteine were only detected in BSE group mice by ultra‐performance liquid chromatography‐MS analysis. In addition, BSE intervention evidently increased the abundance of Alistipeds , Coriobacteriaceae UCG‐002 and Bifidobacterium and decreased the abundance of Escheichia‐Shinella , Lachnospiraceae others , Parabacteroides , Ruminococcaceae others and Turicibacter , which possibly promoted carbohydrate metabolism and short‐chain fatty acid production. CONCLUSION The present study aimed to elucidate the effect of BSE on colitis and found that BSE, as a novel food ingredient, has great potential for the improvement of colitis. © 2022 Society of Chemical Industry.

Wu, Jiaying↗

The Reductive Leaching of Chalcopyrite by Chromium(II) Chloride for the Rapid and Complete Extraction of Copper

A hydrometallurgical process is developed to lower the costs of copper production and thereby sustain the use of copper throughout the global transition to renewable energy technologies. The unique feature of the hydrometallurgical process is the reductive treatment of chalcopyrite, which is in contrast to the oxidative treatment more commonly pursued in the literature. Chalcopyrite reduction by chromium(II) ion is described for the first time and superior kinetics are shown. At high concentrate loadings of 39, 78, and 117 gL –1 , chalcopyrite reacted completely within minutes at room temperature and pressure. The XRD, SEM-EDS, and XPS measurements indicate that chalcopyrite reacts to form copper(I) chloride (CuCl). After the reductive treatment, the mineral products are leached by iron(III) sulfate to demonstrate the complete extraction of copper. The chromium(II) ion may be regenerated by an electrolysis unit inspired by an iron chromium flow battery in a practical industrial process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Light dilaton in rare meson decays and extraction of its CP property

Abstract The dilatonϕis a pseudo-Nambu-Goldstone boson associated with the spontaneous breaking of scale invariance in a nearly conformal theory, and couples to the trace of the stress-energy tensor. We analyze experimental constraints on a light dilaton with mass in the MeV–GeV range from rare meson decays. New model-independent inclusive bounds for theb→sϕtransition largely exclude the parameter space of a light dilaton that could explain the muong− 2 anomaly. Despite similarities between a dilaton and a Higgs-portal scalar, the dilaton-photon coupling is enhanced compared to the Higgs-portal scalar due to contributions from loops of the conformal sector. Consequently, the shortened lifetime of the dilaton relaxes bounds fromK→π+ invisible searches at the NA62 experiment and constraints from the Big Bang Nucleosynthesis. We utilize this fact to search for the dilaton signature at a lepton collider such as the ongoing Belle II experiment. Further, we demonstrate how to extract the CP property of the dilaton using the variation of the differential cross-section ofe + e − →e + e − ϕwith the azimuthal angle between the outgoing leptons.

Physics↗

Simultaneous CTEQ-TEA extraction of PDFs and SMEFT parameters from jet and $t\bar{t}$ data

Recasting phenomenological Lagrangians in terms of SM effective field theory (SMEFT) provides a valuable means of connecting potential BSM physics at momenta well above the electroweak scale to experimental signatures at lower energies. In this work we jointly fit the Wilson coefficients of SMEFT operators as well as the PDFs in an extension of the CT18 global analysis framework, obtaining self-consistent constraints to possible BSM physics effects. Global fits are boosted with machine-learning techniques in the form of neural networks to ensure efficient scans of the full PDF+SMEFT parameter space. We focus on several operators relevant for top-quark pair and jet production at hadron colliders and obtain constraints on the Wilson coefficients with Lagrange Multiplier scans. We find mild correlations between the extracted Wilson coefficients, PDFs, and other QCD parameters, and see indications that these correlations may become more prominent in future analyses based on data of higher precision. This work serves as a new platform for joint analyses of SM and BSM physics based on the CTEQ-TEA framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exclusive production of a pair of high transverse momentum photons in pion-nucleon collisions for extracting generalized parton distributions

We show that exclusive production of a pair of high transverse momentum photons in pion-nucleon collisions can be systematically studied in QCD factorization approach if the photon’s transverse momentum q T with respect to the colliding pion is much greater than Λ QCD . We demonstrate that the leading power non-perturbative contributions to the scattering amplitudes of this exclusive process are process-independent and can be systematically factorized into universal pion’s distribution amplitudes (DAs) and nucleon’s generalized parton distributions (GPDs), which are convoluted with corresponding infrared safe and perturbatively calculable short-distance hard parts. The correction to this factorized expression is suppressed by powers of 1/q T . We demonstrate quantitatively that this new type of exclusive processes is not only complementary to existing processes for extracting GPDs, but also capable of providing an enhanced sensitivity to the dependence of both DAs and GPDs on the active parton’s momentum fraction x. We also introduce additional, but the same type of exclusive observables to enhance our capability to explore GPDs, in particular, their x-dependence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Extracting the asymptotic behavior of S-matrix elements from their phases

The asymptotic kinematic limits of S-matrices are dominated by large logarithms which, roughly speaking, fall into two categories: those which are controlled by a renormalization group (RG) scale, which we may think of as logs involving ratios of invariant mass scales, and those which are functions of ratios of rapidities, so called “rapidity logs”. It has been pointed out by Caron-Huot and Wilhlem [1] that RG anomalous dimension can be extracted from the phase of the S-matrix, which can greatly simplify calculations via unitarity methods. In this paper we generalize the results of [1] to show that the phase can be used to reconstruct rapidity anomalous dimensions, by performing a special type of complex boost. The methodology introduced allows one to calculate without the need for a rapidity regulator which can lead to significant simplifications. We demonstrate the use of this method to derive the rapidity anomalous dimensions in the Sudakov form factor and the two parton soft function at two loops order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Extraction of radium and actinium with Pb resin and Rose Bengal

The extraction of radium and actinium with Eichrom Pb resin and Rose Bengal has been studied. Radium and actinium both show a strong affinity (k’ > 10,000) for the resin at intermediate pHs (~ 5–7) from solutions with Rose Bengal. The pH range and magnitude of uptake for both radium and actinium is significantly increased by the presence of Rose Bengal compared to basic solutions without this counter ion. Additionally, radium uptake is extremely fast from basic solutions with and without Rose Bengal; actinium uptake is slower, particularly in solutions without Rose Bengal. Column studies show that despite the similar behavior of actinium and radium in this system, separations of these two elements with Pb resin and Rose Bengal solutions are possible with reasonable yields due to the differences in uptake kinetics.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Reducing systematic bias in machine learning applications to J/ψ signal extraction in high-energy nuclear physics

Machine learning techniques are increasingly used in high-energy nuclear physics because they can exploit multivariate correlations more efficiently than conventional cut-based analyses. A central challenge is the construction of training samples that faithfully reproduce the detector response observed in data. Signal samples are usually derived from detector simulations; therefore, mismatches between simulation and data can degrade classifier performance and introduce systematic biases. This work presents two practical correction procedures, namely cumulative distribution function (CDF) mapping and a shift-and-scale transformation, to align simulated signal features with those measured in data. Their performance is demonstrated with $J$/$\psi$ yield measurements in $\sqrt{s_{nn}}$ = 200 GeV Ru+Ru and Zr+Zr collisions recorded by STAR. A set of self-consistency tests shows that these procedures substantially suppress the systematic bias associated with data-simulation discrepancies in machine-learning-based signal extraction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Automated extraction of interfacial dislocations and disconnections from atomistic data

Here we introduce Interfacial Line Defect Analysis (ILDA), a method for identifying and extracting interfacial dislocations and disconnections with little-to-no input from the user on the nature of the interface. By simply providing the orientations and coherency strains for the crystals in a coherent reference state of the interface, ILDA provides exact Burgers vectors. Alternatively, these orientations and strains can be estimated using local atomic deformation gradients, making ILDA fully automated and providing estimated Burgers vectors. ILDA also determines the step height associated with each defect line segment, in case the associated defect is a disconnection. The heart of the method is the identification of atoms residing at co-incidence sites between the two crystals and the construction of a surface mesh connecting these sites that is used to compose Burgers circuits and insert defect line segments. We demonstrate the performance of ILDA in two test cases: a twist grain boundary and a phase boundary.

36 MATERIALS SCIENCE↗

Physical model and experimental validation of a high temperature proton exchange membrane electrochemical hydrogen pump cell for efficient single-stage extraction of low concentration hydrogen gas

There is interest in valorization of existing natural gas infrastructure to facilitate the co-transportation of hydrogen via blending of hydrogen gas initially at limited concentrations of 1–20 vol% H2 and to subsequently extract hydrogen at fuel cell quality standards (SAE J2719/ISO14687-2). High temperature proton exchange membrane electrochemical hydrogen pump (HT-PEM EHP) based on phosphoric acid doped polybenzimidazole (PA-PBI) exhibits good performance at elevated temperatures (>120 °C), which provides desirable tolerance to non-methane natural gas constituents that are problematic for lower temperature based EHP. To better understand the suitability of the HT-PEM EHP for such gas separation processes, a two-dimensional model of EHP based on PA-PBI was developed. The model is validated for several relevant operating conditions and across cells with differing amounts of phosphoric acid content in the electrodes. Operando micro x-ray computed tomography (CT) imaging of an HT-PEM EHP was used to further validate physical parameters and assumptions of the model. The impacts of pressure, relative humidity of the anode feed, and concentration of feed gases on separation performance are investigated. This study shows that a specific energy of separation of 5.1 kWh/kg H2 at a hydrogen recovery factor (HRF) of 50 vol% can be achieved in a single stage with the EHP, producing fuel cell quality hydrogen purity of 99.99 vol% H2 from a 2 vol% H2/CH4 feed blend, while pressurizing the product H2 at a pressure ratio of 1.3 relative to feed pressure.

Stansberry, John M↗

Extraction chromatography of 225 Ac and lanthanides on N,N-dioctyldiglycolamic acid /1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide solvent impregnated resin

The alpha-emitter 225 Ac (t 1/2 = 9.92 d) is currently under development for targeted alpha-particle therapy of cancer, and accelerator production of 225 Ac via proton irradiation of thorium targets requires robust separations of 225 Ac from chemically similar fission product lanthanides. Additionally, the lanthanide elements represent critical components in modern technologies, and radiolanthanides such as 140 Nd (t 1/2 = 3.37 d) also have potential application in the field of nuclear medicine. The ionic liquid, 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Bmim][NTf 2 ]), combined with the diglycolamide extractant, N,N-dioctyldiglycolamic acid (DODGAA), was adsorbed on macroporous resin support to produce a solvent impregnated resin (SIR) that was investigated for separations of 225 Ac and lanthanides. The equilibrium distribution coefficients (Kd) of the rare earth elements (Sc(III), Y(III), Ln(III)), 225 Ac(III), Th(IV), and U(VI) on the prepared DODGAA/[Bmim][NTf 2 ]-SIR were determined from batch adsorption experiments in HCl and HNO 3 media. The DODGAA/[Bmim][NTf2]-SIR exhibited preferential uptake of the heavier lanthanide elements while allowing for the separation of the lighter lanthanides. Column separations utilizing the DODGAA/[Bmim][NTf 2 ]-SIR were effective at separating the lighter lanthanides from each other, and separating 225 Ac from a mixture of lanthanides, 213 Bi, and 225 Ra without the need for additional complexing agents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗