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115 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Molybdenum Sleeve Experiments in Fully-Reflected Water-Moderated Triangular-Pitched U(6.90)O 2 Fuel Rod Lattices (1.55 cm Pitch)

The US Department of Energy (DOE) Nuclear Energy Research Initiative funded the design and construction of the Seven Percent Critical Experiment (7uPCX) at Sandia National Laboratories. The start-up of the experiment facility and the execution of the experiments described here were funded by the DOE Nuclear Criticality Safety Program. The 7uPCX is designed to investigate critical systems with fuel for light water reactors in the enrichment range above 5 % 235 U. The 7uPCX assembly is a water-moderated and -reflected array of aluminum-clad U(6.90 %)O 2 fuel rods. Other critical experiments performed in the 7uPCX assembly are documented in LEU-COMP-THERM-078, LEU-COMP-THERM-080, LEU-COMP-THERM-096, LEUCOMP-THERM-097, LEU-COMP-THERM-101, and LEU-COMP-THERM-102. The purpose of these experiments was to measure the effects of molybdenum in nearly-critical systems. The molybdenum was introduced into the fuel arrays as tubular sleeves that surrounded some of the fuel rods in the fuel arrays measured. Four hundred molybdenum tubes nominally 12.7 mm outside diameter, 498 mm long, with 0.762 mm wall thickness were provided for the experiments by the Institut de Radioprotection et de Sûreté Nucléaire (IRSN). Small polyethylene adapters at each end of the tubes were used to center each tube on a fuel rod in the assembly. The critical experiments were done using a set of triangular-pitched grid plates fabricated for these experiments. The grid plate set accommodated a fuel array of a total of 1261 fuel rod positions on a pitch of 0.610 in (1.5494 cm) in a series of 20 hexagonal rings surrounding the central fuel rod. The fuel used in these experiments was fabricated using unirradiated 6.90 % enriched UO 2 fuel pellets from fuel elements designed to be used in the internal nuclear superheater section of the Pathfinder boiling water reactor operated in South Dakota by the Northern States Power Company in the 1960s. The fuel elements were obtained from The Pennsylvania State University where they had been stored for many years. The fuel pellets in those fuel elements were removed from the original Incoloy cladding and reclad in 3003 aluminum tubes and end caps for use in the experiments reported here. The five critical experiments in this series were performed in August through December 2022, in the Sandia Critical Experiments (SCX) at the Sandia Pulsed Reactor Facility. Case 1 had no molybdenum sleeves, Case 2 had 208 molybdenum sleeves clustered at the center of the array, Case 3 had 397 molybdenum sleeves clustered at the center of the array, Case 4 had 175 molybdenum sleeves in the central position and in five alternating hexagonal rings, and Case 5 had 331 molybdenum sleeves in the central position and in seven alternating hexagonal rings. All five critical experiments are judged to be acceptable as benchmark experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Serial crystallography with multi-stage merging of thousands of images

KAMO and BLEND provide particularly effective tools to automatically manage the merging of large numbers of data sets from serial crystallography. The requirement for manual intervention in the process can be reduced by extending BLEND to support additional clustering options such as the use of more accurate cell distance metrics and the use of reflection-intensity correlation coefficients to infer `distances' among sets of reflections. This increases the sensitivity to differences in unit-cell parameters and allows clustering to assemble nearly complete data sets on the basis of intensity or amplitude differences. If the data sets are already sufficiently complete to permit it, one applies KAMO once and clusters the data using intensities only. When starting from incomplete data sets, one applies KAMO twice, first using unit-cell parameters. In this step, either the simple cell vector distance of the original BLEND or the more sensitive NCDist is used. This step tends to find clusters of sufficient size such that, when merged, each cluster is sufficiently complete to allow reflection intensities or amplitudes to be compared. One then uses KAMO again using the correlation between reflections with a common hkl to merge clusters in a way that is sensitive to structural differences that may not have perturbed the unit-cell parameters sufficiently to make meaningful clusters. Many groups have developed effective clustering algorithms that use a measurable physical parameter from each diffraction still or wedge to cluster the data into categories which then can be merged, one hopes, to yield the electron density from a single protein form. Since these physical parameters are often largely independent of one another, it should be possible to greatly improve the efficacy of data-clustering software by using a multi-stage partitioning strategy. Here, one possible approach to multi-stage data clustering is demonstrated. The strategy is to use unit-cell clustering until the merged data are sufficiently complete and then to use intensity-based clustering. Using this strategy, it is demonstrated that it is possible to accurately cluster data sets from crystals that have subtle differences.

36 MATERIALS SCIENCE↗
DOE OSTI2023

UNF-ST&DARDS Enhancements for RCCA Data in As-loaded Dual Purpose Cask Models

This report summarizes the work performed to enable detailed modeling of rod cluster control assembly (RCCAs) in dual purpose canisters (DPCs) in as-loaded configurations using the Used Nuclear Fuel – Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS). The goal of this project was to evaluate the reactivity impact that RCCAs have on k eff of DPCs with pressurized water reactor (PWR) fuel to potentially use the additional margin in future post-closure criticality safety analysis. This preliminary evaluation determined the number of DPCs that currently require compensatory actions prior to emplacement in a repository because of their high reactivity under post-closure criticality scenarios, which could be made acceptable by including the as-loaded RCCAs as specified in the Unified Database (UDB). This report briefly describes the modeling methods currently used within UNF-ST&DARDS and the modifications made to automate inclusion of the as-loaded RCCAs in the DPCs for post-closure criticality calculations for the loss of neutron absorber (NA) scenarios, or NA models. For the Zion site, the loss of basket scenarios, or degraded basket (DB) models, are also included. Discussion is also provided regarding the UDB data compared to available site-specific loading map data for the sites, which are specifically evaluated herein. This report compares the modifications to a similar evaluation for the Zion by site conducted by Walker as an initial validation. After the partial validation, all existing PWR sites with applicable NA models within the UDB were evaluated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Bimetallics in a Nutshell: Complexes Supported by Chelating Naphthyridine-Based Ligands

Bimetallic motifs are a structural feature common to some of the most effective and synthetically useful catalysts known, including in the active sites of many metalloenzymes and on the surfaces of industrially relevant heterogeneous materials. However, the complexity of these systems often hampers detailed studies of their fundamental properties. To glean valuable mechanistic insight into how these catalysts function, this research group has prepared a family of dinucleating 1,8-naphthyridine ligands that bind two first-row transition metals in close proximity, originally designed to help mimic the proposed active site of metal oxide surfaces. Of the various bimetallic combinations examined, dicopper(I) is particularly versatile, as neutral bridging ligands adopt a variety of different binding modes depending on the configuration of frontier orbitals available to interact with the Cu centers. Organodicopper complexes are readily accessible, either through the traditional route of salt metathesis or via the activation of tetraarylborate anions through aryl group abstraction by a dicopper(I) unit. The resulting bridging aryl complexes engage in C-H bond activations, notably with terminal alkynes to afford bridging alkynyl species. In this work, the μ-hydrocarbyl complexes are surprisingly tolerant of water and elevated temperatures. This stability was leveraged to isolate a species that typically represents a fleeting intermediate in Cu-catalyzed azide-alkyne coupling (CuAAC); reaction of a bridging alkynyl complex with an organic azide afforded the first example of a well-defined, symmetrically bridged dicopper triazolide. This complex was shown to be an intermediate during CuAAC, providing support for a proposed bimetallic mechanism. These platforms are not limited to formally low oxidation states; chemical oxidation of the hydrocarbyl complexes cleanly results in formation of mixed valence Cu I Cu II complexes with varying degrees of distortion in both the bridging moiety and the dicopper core. Higher oxidation states, e.g. , dicopper(II), are easily accessed via oxidation of a dicopper(I) compound with air to give a Cu II 2 (μ-OH) 2 complex. Reduction of this compound with silanes resulted in the unexpected formation of pentametallic copper(I) dihydride clusters or trimetallic monohydride complexes, depending on the nature of the silane. Finally, development of an unsymmetrical naphthyridine ligand with mixed donor side-arms enables selective synthesis of an isostructural series of six heterobimetallic complexes, demonstrating the power of ligand design in the preparation of heterometallic assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Development of a Ground Multi-Mission Low-Cost Optical Terminal (LCOT) for Free-Space Optical Communications

Once confined to the realm of laboratory experiments and theoretical papers, space-based laser communications (lasercomm) are on the verge of achieving mainstream status. Organizations from Facebook to NASA, and missions from cubesats to Orion are employing lasercomm to achieve gigabit communication speeds at mass and power requirements lower than that of traditional radio frequency (RF) methods. Since first demonstrating free-space optical communications services with Lunar Laser Communications Demonstration (LLCD) in 2013, NASA has invested in developing optical communications technologies and capabilities to enhancing its space communications networks. Along with evolving optical space terminals, NASA is also developing lasercomm grounds stations capable of meeting the rapidly increasing data volume demands of upcoming missions, from low-earth to lunar orbits and beyond and integrating these advanced capabilities into its Near-Space and Deep Space Networks. To meet this emerging need, the Low-Cost Optical Terminal (LCOT) project at NASA’s Goddard Space Flight Center (GSFC) is designing, building and validating a prototype for a flexible, multi-mission, and economical optical ground terminal that could be used as a blueprint for a global network of optical ground stations, capable of supporting a wide variety of missions. To date a major impediment to widespread adoption of laser communication has been the lack of an existing ground network infrastructure. A mission that wishes to take advantage of laser communication not only needs to invest in an optical space terminal, but it must also finance the creation of ground terminals to receive the downlink signal. This adds significant additional cost. Missions that do decide to incur the cost of financing a network of ground terminals end up building highly specialized optical receivers that are operable as receivers for that specific mission only. Significant Non-Recurring Engineering (NRE) cost is invested to build highly specialized one-of-a-kind ground terminals that go into storage after that particular mission is over. This is not an economical approach and does nothing to grow the number of optical ground stations available to future missions. In essence each mission that wants to take advantage of the benefits of lasercom has to start from scratch to provide a ground terminal network to support it. As long as this is the case, the cost for using laser communications will be too high for most missions to consider. LCOT intends to close this gap in technology by designing and developing a standard optical ground terminal design that is flexible enough to serve as a receiver for a wide range of future missions – a ground terminal that can be quickly reconfigured to receive downlinks at different wavelengths using different signal formats. Not only does LCOT have the industry-building objectives of utilizing commercial-off-the-shelf (COTS) components to the maximum extent possible, but also spurs the commercial development of other necessary lasercomm components not currently offered by industry. Finally, LCOT will give NASA scientists and engineers a facility where they can gain real-world experience with optical communications. It will give engineers a cost-effective way to try out new concepts and processes by providing the infrastructure for such testing. In this way it is hoped LCOT will serve as a stimulus for innovation in optical communications and speed its widespread adoption by future missions. The LCOT is comprised of five subsystems: Free-Space Optical, Transceiver, Amplifier, Monitor and Control, and Observatory Infrastructure. In August 2021, the LCOT team installed a 70 cm telescope, developed by Planewave Instruments that was optimized for optical communications. Free-Space Optical subsystem comprises of the telescope and its associated hardware, including a transmitter optical assembly, wide field cameras, two optical benches, and an adaptive optics subsystem. The transmit optical assembly, a unique concept design, is a cluster of four functionally independent transmit subassemblies located on the receive telescope. In addition to receiving optical signals and directing the expanded beam with high precision to the space terminal, it also performs tracking functions. The transmit optical assembly will support operations from Low Earth Orbit (LEO) through lunar and will be used as a template for industry manufacturing. The Optical Infrastructure subsystem is responsible for providing environmentally controlled shelters for LCOT equipment and various other systems. To maintain the safety and proper functionality of the telescope, a 16 ft Astrohaven clamshell dome procured which provides all-sky coverage without the need to rotate the dome. Additionally, Atmospheric Monitoring Assembly (AMA) will be part of optical infrastructure subsystem to ensure accurate performance of the LCOT. Like existing optical ground stations, LCOT will measure standard weather station parameters, infrared all sky image of cloud cover, and cloud height. LCOT, however, adds requirements for measuring night time seeing and, in the future, daytime seeing. Unlike other optical ground terminals, the LCOT is transceiver agnostic; user transceivers may be duplex transceivers, standalone receivers, or standalone transmitters with or without acquisition beacon functionality. As such, the LCOT project accommodates testing with external customer transceivers in a flexible manor, further complimenting its intended multi-mission goals. Another unique component of LCOT is the use of a new amplifier technology – the Very Large Mode Area (VLMA) amplifiers. This new technology allows LCOT to avoid the issues faced by previous laser communications ground terminals, gives users more flexibility and modular capability, and is capable of reaching an order of magnitude higher peak power than traditional High Power Optical Amplifiers (HPOA). One drawback of the VLMA HPOA approach is that the amplified light is output into free-space. The solution developed by LCOT is an optics train that couples the output of the VLMA amplifier into a short fiber for transport to the transmit telescopes with high efficiency. Like many of the LCOT components, a set of detailed manufacturing drawings have been created for the optics train to allow any machine shop with a multi-axis Computer Numerical Control (CNC) machine to fabricate the piece parts from commonly available materials. In line with the goals of LCOT, the monitor and control functions are developed as a modular and flexible system with the ability to support future hardware or algorithm changes, minimizing disruptions. A main priority of development in the Monitor and Control Subsystem (MCS) is the safety monitor system.

laser communication↗
NASA NTRSDate not supplied

Development of a Ground Multi-mission Low Cost Optical Terminal(LCOT) for Free-Space Optical Communication

Once confined to the realm of laboratory experiments and theoretical papers, space-based laser communications (lasercomm) are on the verge of achieving mainstream status. Organizations from Facebook to NASA, and missions from cubesats to Orion are employing lasercomm to achieve gigabit communication speeds at mass and power requirements lower than that of traditional radio frequency (RF) methods. Since first demonstrating free-space optical communications services with Lunar Laser Communications Demonstration (LLCD) in 2013, NASA has invested in developing optical communications technologies and capabilities to enhancing its space communications networks. Along with evolving optical space terminals, NASA is also developing lasercomm grounds stations capable of meeting the rapidly increasing data volume demands of upcoming missions, from low-earth to lunar orbits and beyond and integrating these advanced capabilities into its Near-Space and Deep Space Networks. To meet this emerging need, the Low-Cost Optical Terminal (LCOT) project at NASA’s Goddard Space Flight Center (GSFC) is designing, building and validating a prototype for a flexible, multi-mission, and economical optical ground terminal that could be used as a blueprint for a global network of optical ground stations, capable of supporting a wide variety of missions. To date a major impediment to widespread adoption of laser communication has been the lack of an existing ground network infrastructure. A mission that wishes to take advantage of laser communication not only needs to invest in an optical space terminal, but it must also finance the creation of ground terminals to receive the downlink signal. This adds significant additional cost. Missions that do decide to incur the cost of financing a network of ground terminals end up building highly specialized optical receivers that are operable as receivers for that specific mission only. Significant Non-Recurring Engineering (NRE) cost is invested to build highly specialized one-of-a-kind ground terminals that go into storage after that particular mission is over. This is not an economical approach and does nothing to grow the number of optical ground stations available to future missions. In essence each mission that wants to take advantage of the benefits of lasercom has to start from scratch to provide a ground terminal network to support it. As long as this is the case, the cost for using laser communications will be too high for most missions to consider. LCOT intends to close this gap in technology by designing and developing a standard optical ground terminal design that is flexible enough to serve as a receiver for a wide range of future missions – a ground terminal that can be quickly reconfigured to receive downlinks at different wavelengths using different signal formats. Not only does LCOT have the industry-building objectives of utilizing commercial-off-the-shelf (COTS) components to the maximum extent possible, but also spurs the commercial development of other necessary lasercomm components not currently offered by industry. Finally, LCOT will give NASA scientists and engineers a facility where they can gain real-world experience with optical communications. It will give engineers a cost-effective way to try out new concepts and processes by providing the infrastructure for such testing. In this way it is hoped LCOT will serve as a stimulus for innovation in optical communications and speed its widespread adoption by future missions. The LCOT is comprised of five subsystems: Free-Space Optical, Transceiver, Amplifier, Monitor and Control, and Observatory Infrastructure. In August 2021, the LCOT team installed a 70 cm telescope, developed by Planewave Instruments that was optimized for optical communications. Free-Space Optical subsystem comprises of the telescope and its associated hardware, including a transmitter optical assembly, wide field cameras, two optical benches, and an adaptive optics subsystem. The transmit optical assembly, a unique concept design, is a cluster of four functionally independent transmit subassemblies located on the receive telescope. In addition to receiving optical signals and directing the expanded beam with high precision to the space terminal, it also performs tracking functions. The transmit optical assembly will support operations from Low Earth Orbit (LEO) through lunar and will be used as a template for industry manufacturing. The Optical Infrastructure subsystem is responsible for providing environmentally controlled shelters for LCOT equipment and various other systems. To maintain the safety and proper functionality of the telescope, a 16 ft Astrohaven clamshell dome procured which provides all-sky coverage without the need to rotate the dome. Additionally, Atmospheric Monitoring Assembly (AMA) will be part of optical infrastructure subsystem to ensure accurate performance of the LCOT. Like existing optical ground stations, LCOT will measure standard weather station parameters, infrared all sky image of cloud cover, and cloud height. LCOT, however, adds requirements for measuring night time seeing and, in the future, daytime seeing. Unlike other optical ground terminals, the LCOT is transceiver agnostic; user transceivers may be duplex transceivers, standalone receivers, or standalone transmitters with or without acquisition beacon functionality. As such, the LCOT project accommodates testing with external customer transceivers in a flexible manor, further complimenting its intended multi-mission goals. Another unique component of LCOT is the use of a new amplifier technology – the Very Large Mode Area (VLMA) amplifiers. This new technology allows LCOT to avoid the issues faced by previous laser communications ground terminals, gives users more flexibility and modular capability, and is capable of reaching an order of magnitude higher peak power than traditional High Power Optical Amplifiers (HPOA). One drawback of the VLMA HPOA approach is that the amplified light is output into free-space. The solution developed by LCOT is an optics train that couples the output of the VLMA amplifier into a short fiber for transport to the transmit telescopes with high efficiency. Like many of the LCOT components, a set of detailed manufacturing drawings have been created for the optics train to allow any machine shop with a multi-axis Computer Numerical Control (CNC) machine to fabricate the piece parts from commonly available materials. In line with the goals of LCOT, the monitor and control functions are developed as a modular and flexible system with the ability to support future hardware or algorithm changes, minimizing disruptions. A main priority of development in the Monitor and Control Subsystem (MCS) is the safety monitor system.

Haleh Safavi↗
DOE OSTI2021

Gas-Phase Stability of Large Lanthanide:Ligand Clusters Evaluated Using Collision-Induced Dissociation

Introduction In the reprocessing of f-elements present in used nuclear fuels, a variety of diglycolamides (DGA’s) are used as extractants for actinide partitioning. In particular, the Actinide-Lanthanide Separation (ALSEP) process typically utilizes either the N,N,N’,N’-tetraoctyl diglycolamide (TODGA) or N,N,N',N'-tetra-2-ethylhexyl diglycolamide (T2EHDGA) extractant ligands following the partitioning of uranium and plutonium from used nuclear fuel. To better understand fundamental interactions in these processes, covalent bonding of several f-elements with diglycolamides, primarily TODGA, is investigated in the gas phase using nanospray ionization and a quadrupole time-of-flight mass spectrometer. Further, analysis of the identity and relative strength of the cluster is enabled by MS2 isolation and collision induced dissociation. Methods Metal ion cluster analysis was completed using a Bruker (Billerica, MA, USA) mircOTOF-Q II quadrupole time-of-flight mass spectrometer with a CaptiveSpray nanospray ion source. Detection was accomplished using positive ionization mode. Metal: ligand solutions were assembled as 30 µM europium nitrate, samarium nitrate, cerium nitrate, or holmium nitrate and 3 µM DGA in acetonitrile or a 50:50 mixture of acetonitrile: isopropanol. Preliminary data The samarium cluster experiments yielded clusters with a samarium:TODGA ratio of up to 1:7 able to be isolated and evidence of greater ratios present in the mass spectrum. This is surprising, as metal clusters are not expected to have a coordination space able to accommodate this many TODGA ligands, due to its size and tridenticity. Collisional activation of [Sm(TODGA)3]3+ suggested loss of a TODGA radical cation, in addition to ligand fragmentation. In contrast, activation of clusters with higher Sm:TODGA ratios resulted in loss of entire ligands, with no evidence of fragmentation. A lower collision energy was required to remove ligands as the number of bound TODGAs increased, suggesting that in larger clusters, ligands are more delicately complexed to the metal. In addition, several clusters were observed with the composition [Sm(NO3)x(TODGA)n x]+3 x. With a single nitrate ion, clusters with up to six TODGAs were able to be isolated. In a similar pattern to the samarium clusters containing only TODGA, less collision energy was required to eliminate one or more TODGAs with increasing size. Clusters with composition [Sm(NO3)(TODGA)n-1]2+ appeared in lower abundance and were more collisionally stable than [Sm(TODGA)n]3+ clusters. With two nitrate ions, only clusters with a single TODGA were able to be isolated. Analogous europium experiments resulted in similar clusters. Ratios of up to 1:7 Eu:TODGA and clusters with one nitrate and up to five TODGAs were isolated. In clusters with two nitrate ions, only one or two TODGAs were observed to be bound. Similar to samarium, MS2 experiments with the Eu clusters suggested that larger clusters required less collision energy to eliminate TODGA. Europium clusters with the composition [Eu(NO3)(TODGA)n-1]2+ were observed in greater abundance and with greater stability than the equivalent cluster with the composition [Eu(TODGA)n]3+. Novel Aspect These are the first reported Ln:TODGA clusters, allowing us to begin to investigate intrinsic complexation of lanthanides with process-relevant ligands.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗