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At least 469 records · Page 26

DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data

We present DEIMoS: Data Extraction for Integrated Multidimensional Spectrometry, a Python application programming interface and command-line tool for high-dimensional mass spectrometry data analysis workflows, offering ease of development and access to efficient algorithmic implementations. Functionality includes feature detection, feature alignment, collision cross section calibration, isotope detection, and MS/MS spectral deconvolution, with the output comprising detected features aligned across study samples and characterized by mass, CCS, tandem mass spectra, and isotopic signature. Notably, DEIMoS operates on N-dimensional data, largely agnostic to acquisition instrumentation: algorithm implementations utilize all dimensions simultaneously to (i) offer greater separation between features, improving detection sensitivity, (ii) increase alignment/feature matching confidence among datasets, and (iii) mitigate convolution artifacts in tandem mass spectra. We demonstrate DEIMoS with LC-IMS-MS/MS data, demonstrating the advantages of a multidimensional approach in each data processing step.

Colby, Sean M↗

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↗

Naturally occurring 32 Si and low-background silicon dark matter detectors

The naturally occurring radioisotope Si-32 represents a potentially limiting background in future dark matter direct-detection experiments. We investigate sources of Si-32 and the vectors by which it comes to reside in silicon crystals used for fabrication of radiation detectors. We infer that the Si-32 concentration in commercial single-crystal silicon is likely variable, dependent upon the specific geologic and hydrologic history of the source (or sources) of silicon “ore” and the details of the silicon-refinement process. The silicon production industry is large, highly segmented by refining step, and multifaceted in terms of final product type, from which we conclude that production of Si-32-mitigated crystals requires both targeted silicon material selection and a dedicated refinement-through-crystal-production process. We review options for source material selection, including quartz from an underground source and silicon isotopically reduced in Si-32. To quantitatively evaluate the Si-32 content in silicon metal and precursor materials, we propose analytic methods employing chemical processing and radiometric measurements. Ultimately, it appears feasible to produce silicon-based detectors with low levels of Si-32, though significant assay method development is required to validate this claim and thereby enable a quality assurance program during an actual controlled silicon-detector production cycle.

assay↗

The U.S. Department of Veterans' Affairs depleted uranium exposed cohort at 25 Years: Longitudinal surveillance results

Background: A small group of Gulf War I veterans wounded in depleted uranium (DU) friendly-fire incidents have been monitored for health changes in a clinical surveillance program at the Veterans Affairs Medical Center, Baltimore since 1994. Methods: During the spring of 2015, an in-patient clinical surveillance protocol was performed on 36 members of the cohort, including exposure monitoring for total and isotopic uranium concentrations in urine and a comprehensive assessment of health outcomes. Results: On-going mobilization of U from embedded fragments is evidenced by elevated urine U concentrations. The DU isotopic signature is observed principally in participants possessing embedded fragments. Those with only an inhalation exposure have lower urine U concentration and a natural isotopic signature. Conclusions: At 25 years since first exposure to DU, an aging cohort of military veterans continues to show no U-related health effects in known target organs of U toxicity. As U body burden continues to accrue from in-situ mobilization from metal fragment depots, and increases with exposure duration, critical tissue-specific U concentration thresholds may be reached, thus recommending on-going surveillance of this veteran cohort. - Highlights: • Gulf War I veterans wounded with depleted uranium are monitored for health changes. • In 2015 in-patient clinical surveillance was performed on 36 members of the cohort. • Mobilization of U from embedded fragments is evidenced by elevated U in urine. • This cohort of continues to show no U-related health effects.

54 ENVIRONMENTAL SCIENCES↗

Feasibility Study for Disposal Control Rod Assemblies Using UNF-ST&DARDS As-Loaded Zion Dual Purpose Cask Models

This report documents an initial evaluation to support future use of disposal control rod assemblies (DCRAs) for post-closure criticality control in dual purpose canisters (DPCs). The work described herein is an extension of previous efforts performed by Walker using inputs generated by the Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNFST&DARDS) for the Zion site DPCs with as-loaded isotopic compositions. The results of this analysis demonstrate that there are multiple pathways to using DCRA for post-closure criticality control. Various configurations of DCRA material, diameter, number of rods per DCRA, and number and location of DCRAs within a DPC were shown to be effective in varying degrees for the set of DPCs analyzed by Walker. Because of the variations in DPC as-loaded isotopic compositions considered in an array of DCRA parametric sweeps, it can be concluded that a DPC-specific methodology is feasible (i.e., a one-size-fits-all approach may not be needed). Instead, the utility program created for this work can be expanded to develop capabilities to provide DPC-specific DCRA arrangements to limit cost and weight and to allow for operational considerations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Progress at the TITAN-EBIT

Precision mass measurements of short-lived isotopes provide insight into a wide array of physics, including nuclear structure, nucleosynthesis, and tests of the Standard Model. The precision of Penning trap mass spectrometry (PTMS) measurements is limited by the lifetime of the isotopes of interest, but scales proportionally with their charge state q, making highly charged ions attractive for mass measurements of nuclides far from stability. TITAN, TRIUMF's Ion Trap(s) for Atomic and Nuclear science, is currently the only setup in the world coupling an EBIT to a rare isotope facility for the purpose of PTMS. Charge breeding ions for Penning trap mass spectrometry, however, entails specific set of challenges. To make use of its potential, efficiencies have to be high, breeding times have to be short and the ion energy spread has to be small. An overview of the TITAN facility and charge-breeding program is given, current and future developments are highlighted and some selected results are presented.

74 ATOMIC AND MOLECULAR PHYSICS↗

Direct analysis of cotton swipes for uranium and plutonium isotopic determination by microextraction-ICP-MS

The determination of uranium and plutonium isotopic abundance on environmental samples collected by International Atomic Energy Agency (IAEA) inspectors is vital for the detection of undeclared nuclear activities and material under the international nuclear safeguards regime. Current analytical protocols require time-consuming sample preparation steps prior to subsequent measurement by inorganic mass spectrometry (MS). Recent efforts from this laboratory have focused on developing sample preparation methods for faster analysis, potentially allowing higher sample throughput[1]. Alternative methods including microextraction sampling in conjunction with inductively coupled plasma-mass spectrometry (ICP-MS) have been recently explored. This methodology, microextraction-ICP-MS, was developed such that uranium and plutonium could be extracted from the swipe surface and directed into the ICP-MS for an in-situ measurement, eliminating the need for swipe ashing and digestion. A commercial off-the-shelf microextraction system was customized with an automated movable XY stage that can be programmed to save sampling locations, allowing for automated rapid sampling of swipe surfaces. Additional efforts have focused on the utilization of collision cell technology to the microextraction ICP-MS method. This would eliminate the need for lengthy column chemistry procedures to purify separated uranium and plutonium fractions before analysis. Here, the extracted U/Pu analyte is measured by reacting the uranium ions with CO2 in the collision cell of an ICP-MS, shifting the uranium to UO+, which will not interfere with the plutonium isotopic determination. The developed method utilizing collision cell – ICP-MS technology has demonstrated the ability to measure plutonium isotope ratios in the presence of high uranium concentration on the transient signal from the microextraction system utilizing certified reference materials from JRC-Geel and the New Brunswick Laboratory Program Office.

Bradley, Veronica↗

MO-A-16A-01: QA Procedures and Metrics: In Search of QA Usability

Radiation therapy has undergone considerable changes in the past two decades with a surge of new technology and treatment delivery methods. The complexity of radiation therapy treatments has increased and there has been increased awareness and publicity about the associated risks. In response, there has been proliferation of guidelines for medical physicists to adopt to ensure that treatments are delivered safely. Task Group recommendations are copious, and clinical physicists' hours are longer, stretched to various degrees between site planning and management, IT support, physics QA, and treatment planning responsibilities.Radiation oncology has many quality control practices in place to ensure the delivery of high-quality, safe treatments. Incident reporting systems have been developed to collect statistics about near miss events at many radiation oncology centers. However, tools are lacking to assess the impact of these various control measures. A recent effort to address this shortcoming is the work of Ford et al (2012) who recently published a methodology enumerating quality control quantification for measuring the effectiveness of safety barriers. Over 4000 near-miss incidents reported from 2 academic radiation oncology clinics were analyzed using quality control quantification, and a profile of the most effective quality control measures (metrics) was identified.There is a critical need to identify a QA metric to help the busy clinical physicists to focus their limited time and resources most effectively in order to minimize or eliminate errors in the radiation treatment delivery processes. In this symposium the usefulness of workflows and QA metrics to assure safe and high quality patient care will be explored.Two presentations will be given:Quality Metrics and Risk Management with High Risk Radiation Oncology ProceduresStrategies and metrics for quality management in the TG-100 Era Learning Objectives: Provide an overview and the need for QA usability metrics: Different cultures/practices affecting the effectiveness of methods and metrics. Show examples of quality assurance workflows, Statistical process control, that monitor the treatment planning and delivery process to identify errors. To learn to identify and prioritize risks and QA procedures in radiation oncology. Try to answer the question: Can a quality assurance program aided by quality assurance metrics help minimize errors and ensure safe treatment delivery. Should such metrics be institution specific.

07 ISOTOPE AND RADIATION SOURCES↗

Nuclear Fuel Cycle Technologies: Current Challenges and Future Plans - 12558

The mission of the Office of Nuclear Energy's Fuel Cycle Technologies office (FCT program) is to provide options for possible future changes in national nuclear energy programs. While the recent draft report of the Blue Ribbon Commission on America's Nuclear Future stressed the need for organization changes, interim waste storage and the establishment of a permanent repository for nuclear waste management, it also recognized the potential value of alternate fuel cycles and recommended continued research and development in that area. With constrained budgets and great expectations, the current challenges are significant. The FCT program now performs R and D covering the entire fuel cycle. This broad R and D scope is a result of the assignment of new research and development (R and D) responsibilities to the Office of Nuclear Energy (NE), as well as reorganization within NE. This scope includes uranium extraction from seawater and uranium enrichment R and D, used nuclear fuel recycling technology, advanced fuel development, and a fresh look at a range of disposal geologies. Additionally, the FCT program performs the necessary systems analysis and screening of fuel cycle alternatives that will identify the most promising approaches and areas of technology gaps. Finally, the FCT program is responsible for a focused effort to consider features of fuel cycle technology in a way that promotes nonproliferation and security, such as Safeguards and Security by Design, and advanced monitoring and predictive modeling capabilities. This paper and presentation will provide an overview of the FCT program R and D scope and discuss plans to analyze fuel cycle options and support identified R and D priorities into the future. The FCT program is making progress in implanting a science based, engineering driven research and development program that is evaluating options for a sustainable fuel cycle in the U.S. Responding to the BRC recommendations, any resulting legislative changes, and meeting the needs of the commercial nuclear industry (including developing and evaluating fuel concepts that may enhance accident tolerance in light water reactors while possibly improving fuel performance) are program priorities. Continuing to build partnerships and collaborations with industry, universities, international organizations, and other DOE programs are essential to addressing the challenges facing the FCT program. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Radiation Simulation using Wi-Fi Signal Strength and Frequency

For routine radiological operations, lost radioactive sources, decommissioning and cleanup of nuclear facilities, and radiological terrorist events such as Radioactive Dispersive Devices (RDDs) or Radiological Exposure Devices (REDs), individuals are tasked with accurately locating both point and distributed sources of radiation. Radiation workers must often practice these tasks, whether part of initial training or periodically as part of formal or informal exercises or drills. In such circumstances, it is desirable to have an accurate recreation of a radioactive source, including a method of detecting it, which does not include dangerous amounts of radiation. The goal of this research was to develop a radiation simulation technology that uses IEEE 802.11x W-LAN protocol, i.e. Wi-Fi sources and detectors for these, as an inexpensive, precise and accurate method of replicating sources of gamma radiation. For this work, existing 802.11x sources were used. Software was developed for use with an Android smartphone to detect the presence of these sources. The measurements followed the expected behavior as a function of distance from the sources, mimicking that of gamma radiation, thus demonstrating the fundamental principle of operation. The ultimate system will be used in an outreach program to interest students in the radiation protection field.

07 ISOTOPE AND RADIATION SOURCES↗

Ethanol Conversion over La 0.7 Sr 0.3 MnO 3–x (100): Autocatalysis, Adjacent O-Vacancies, Disproportionation, and Dehydrogenation

The mechanism for catalytic conversion of ethanol over La 0.7 Sr 0.3 MnO 3– x (100) surface to acetaldehyde and ethene was investigated. Pre-exposure temperature-programmed reaction (PE-TPR) experiments were performed in which ethanol was introduced to oxidized or reduced surfaces followed by heating. In particular, sequential PE-TPR experiments were conducted to incrementally and gradually reduce the surface. The products and their ratios were investigated as a function of surface reduction. The data show that acetaldehyde and ethene production is catalyzed with hydrogen abstraction and oxygen abstraction reactions occurring by intermediates in vacancies at various temperatures >400 K. Adsorption of acetaldehyde followed by a temperature-programmed reaction does not produce ethene, indicating that acetaldehyde is not an intermediate to ethene and that the hydrogen and oxygen abstraction from ethanol to ethene are decoupled steps. Further evidence for this mechanistic nuance was obtained using isotopically labeled ethanol (CD 3 CH 2 OH), which produces CD 3 CHO and CD 2 CH 2 . Additionally, the ratio of aldehyde production to alkene production increases with reduction, suggesting that aldehyde is produced from a disproportionation reaction between ethoxy species in adjacent O-vacancies, while ethene is produced from a dehydrogenation reaction with ethoxy species in vacancies without requiring adjacent O-vacancies. Counterintuitively, this finding indicates that the more oxygenated product (aldehyde vs ethene) is favored with more vacancies and that the net alcohol conversion is autocatalytic. Density functional theory calculations were able to find the previously unknown disproportionation pathway between ethoxies in adjacent O-vacancies, and kinetic Monte Carlo simulations support this interpretation by reproducing experimental selectivities. The activation energies for these pathways are estimated as 132 ± 10 kJ/mol for the disproportionation reaction (when occurring between ethoxies in adjacent vacancies) and as 148 ± 11 kJ/mol for the direct dehydrogenation reaction of an ethoxy in a vacancy. Based on these results, a mechanism with operative pathways based on elementary steps in O-vacancies is reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Isotope Effects in Thermal Neutron Scattering [Slides]

AMPX links Thermal Scattering Law (TSL) libraries to isotopes in the resolved resonance region. No guidance is given in the TSL files or the ENDF format if this is acceptable or advised, which can lead to several issues. This presentation discusses these issues and provides suggested solutions.

07 ISOTOPE AND RADIATION SOURCES↗

Neutron Capture and Transmission Measurements and Evaluation of 54 Fe at the RPI LINAC [Slides]

This presentation covers neutron capture and transmission measurements and evaluation of 54 Fe (Iron) at the Rensselaer Polytechnic Insitute (RPI) Linear Accelerator (LINAC). Presentation conclusions find that 54 Fe is near its conclusion, covariance matrix generation is needed for both experiments before data is made available and released (Completion by April 2023). RPI will be conducting a full Resolved Resonance Region (RRR) evaluation following release of data (Completion by September 2023). Additionally, the neutron beam imager shows promise in providing an easy way to align samples in the most intense part of the neutron beam and there will be a new evaluation that will offer improvements in crit safety, shielding, and stellar applications.

07 ISOTOPE AND RADIATION SOURCES↗

Format Proposal for Isotopic Distribution in TSL Files for ENDF/B-VIII.1 [Slides]

This presentation proposes a format of an ‘footer’ file for ENDF6-format TSL files. This would contain several pieces of pertinent information for the scattering atom. such as the Number of scattering atoms in molecule, Isotopic distribution within scattering atom, and free atom and atomic weight ratios for each isotope. This setup will not require significant changes to processing codes or to other sections of the MF7 file.

07 ISOTOPE AND RADIATION SOURCES↗

Experimental validation of the DARWIN2.3 package for fuel cycle applications

The DARWIN package, developed by the CEA and its French partners (AREVA and EDF) provides the required parameters for fuel cycle applications: fuel inventory, decay heat, activity, neutron, {gamma}, {alpha}, {beta} sources and spectrum, radiotoxicity. This paper presents the DARWIN2.3 experimental validation for fuel inventory and decay heat calculations on Pressurized Water Reactor (PWR). In order to validate this code system for spent fuel inventory a large program has been undertaken, based on spent fuel chemical assays. This paper deals with the experimental validation of DARWIN2.3 for the Pressurized Water Reactor (PWR) Uranium Oxide (UOX) and Mixed Oxide (MOX) fuel inventory calculation, focused on the isotopes involved in Burn-Up Credit (BUC) applications and decay heat computations. The calculation - experiment (C/E-1) discrepancies are calculated with the latest European evaluation file JEFF-3.1.1 associated with the SHEM energy mesh. An overview of the tendencies is obtained on a complete range of burn-up from 10 to 85 GWd/t (10 to 60 GWcVt for MOX fuel). The experimental validation of the DARWIN2.3 package for decay heat calculation is performed using calorimetric measurements carried out at the Swedish Interim Spent Fuel Storage Facility for Pressurized Water Reactor (PWR) assemblies, covering a large burn-up (20 to 50 GWd/t) and cooling time range (10 to 30 years). (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Overview of the Neutron Radiography Reactor (NRAD) for Neutron Imaging and In-Core Experiment Capabilities at Idaho National Laboratory

NRAD is a 250-kilowatt TRIGA research reactor that first went online at INL in 1977. (TRIGA stands for Training, Research, Isotopes, General Atomics.) Historically, NRAD was utilized as a neutron radiography reactor that provides comprehensive, non-destructive information about the internal condition of irradiated nuclear fuel. Idaho National Laboratory (INL) has multiple nuclear fuels research and development programs that routinely evaluate irradiated fuels using neutron radiography at NRAD. In recent years, NRAD has gone through a transformation from the single purpose radiography reactor for which it was designed into a multipurpose research reactor, and expanding its in-core irradiation capabilities to support a broader mission for the US Department of Energy (DOE) Nuclear Energy (NE) programs, Basic Energy Science (BES) Programs, as well as Fusion Energy programs. NRAD is a designated user facility under the DOE Nuclear Science User Facility (NSUF) program, and is available for access for general public via a competitive proposal process. More information about NSUF and NRAD are available from the website: https://nsuf.inl.gov/Home/Facility/654.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Formatting and V&V of Consistent 238,240−24 2Pu $\overline{v}_p$ Evaluated Mean Values and Covariances

This report is in answer to the Nuclear Criticality Safety Program FY24 quarter 4 milestone that requires: “Format and V&V nu-bar means and covariances” for 238,240-242 Pu average prompt fission neutron multiplicities, $\overline{ν}$ p , that were obtained by a consistent evaluation leveraging the fission-event generator CGMF and a detailed uncertainty quantification of experimental data. It is described how nuclear data mean values and covariances were formatted using ENDFtk. Implementing the new 238,240-242 Pu $\overline{ν}$ p into the ENDF/B-VIII.1β 4 library leads to only small overall changes in criticality values of the Jezebel, Dirty Jezebel, Jupiter-001, Jupiter-002, EUCLID 3x2 and EUCLID 8x1 critical assemblies. Simulated k eff uncertainties due to $\overline{ν}$ p covariances change only little if cross-isotope covariances are considered or not for those assemblies with low percentage content of minor Pu isotopes. However, for the Dirty Jezebel critical assembly, that has a sizeable 240 Pu and non-negligible 241 Pu content, the simulated k eff uncertainties due to considering or neglecting cross-isotope $\overline{ν}$ p covariances is 443 versus 374 pcm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗