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At least 973 records · Page 54

Spent Nuclear Fuel Transportation: Rail Conveyance Transmissibility

Equipos Nucleares, S.A. (ENSA) and the US Department of Energy (DOE) are preparing a full scale Spent Nuclear Fuel (SNF) transportation test. This transportation testing will include road, rail, coastal, and trans-Atlantic shipments. The test campaign will use a full scale commercial transportation package and cradle. The package will be loaded with two instrumented fuel assemblies to measure strains at cladding locations and accelerations on the fuel assemblies, and thirty “dummy” assemblies. This testing is designed to closely match an actual SNF shipment. Accelerometers will also be used at various locations throughout the full conveyance system (i.e. rail car/truck, cask, transport cradle, and basket) to study the transmission of loads through the system and to provide validation for numerical models. Previous testing and modeling work has shown how the structural transmissibility of the transport system can affect the magnitude of these loads, and the importance of modeling all aspects of the transport system (i.e. rail car/truck, transport cradle, cask, basket, and fuel) (Ref 1, 2). This paper describes preliminary models that were constructed to estimate load transmission during rail transport, from the bottom of the cradle to an individual fuel rod within the package. The modeling studies in this paper evaluate the system response to postulated shock pulses and random vibration loads. These models describe the transmissibility of the conveyance, and demonstrate how loads can be amplified or attenuated as they are transmitted through the structure. This is done by coupling the rail vehicle dynamics code NUCARS, to the general finite element modeling code ANSYS, and the explicit dynamics code LS-DYNA. Models such as the ones presented herein will be used during the test campaign to help analyze and evaluate the test data as it is collected.

Cladding, Spent Fuel and Radiactive Waste, Used Fu↗

Safety analysis report for packaging shielding and nuclear criticality safety courses developed and conducted by Oak Ridge National Laboratory

The US Department of Energy (DOE) Packaging Certification Program, Office of Packaging and Transportation, is offering Safety Analysis Report for Packaging (SARP) Shielding and Nuclear Criticality Safety (NCS) courses for SARP generalists and analysts. The SARP generalist course is designed for project managers, supervisors, NCS/shielding subject matter experts (SME), and SMEs in non-NCS/shielding technical areas (e.g., structural, thermal, package design) who need to better understand how NCS/shielding analyses fit into the broader body of SARP documentation. The generalist course provides an overview of the regulations and guidelines for the criticality and shielding analyses for a SARP and illustrates how the NCS/shielding chapters integrate with the other parts of the SARP. After course material is presented, students in the generalist course will review an actual SARP document to examine key elements of the shielding and criticality analyses. The analyst course provides detailed instructions on the radioactive material package shielding analyses and NCS evaluation fundamentals needed by analysts/practitioners (i.e., safety analysts and/or technical reviewers) to prepare and/or review technical analyses for the SARP documentation. The analyst course also provides an overview of regulations and guidelines, in addition to detailed in-class exercises associated with package shielding and NCS analyses. Analysis teams will be faced with staged SARP examples in which several important decision processes in the generation of a SARP will be demonstrated and discussed. The courses are offered at Oak Ridge National Laboratory's National Transportation Research Center. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An architecture for integrating planar and 3D cQED devices

Numerous loss mechanisms can limit coherence and scalability of planar and 3D-based circuit quantum electrodynamics (cQED) devices, particularly due to their packaging. The low loss and natural isolation of 3D enclosures make them good candidates for coherent scaling. We introduce a coaxial transmission line device architecture with coherence similar to traditional 3D cQED systems. Measurements demonstrate well-controlled external and on-chip couplings, a spectrum absent of cross-talk or spurious modes, and excellent resonator and qubit lifetimes. We integrate a resonator-qubit system in this architecture with a seamless 3D cavity, and separately pattern a qubit, readout resonator, Purcell filter, and high-Q stripline resonator on a single chip. Device coherence and its ease of integration make this a promising tool for complex experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Summary Describing Integration of ERM Methodology into Supervisory Control Framework with Software Package Documentation; Advanced Reactor Technology Milestone: M4AT-16PN2301052

This project involved the development of enhanced risk monitors (ERMs) for active components in Advanced Reactor (AdvRx) designs by integrating real-time information about equipment condition with risk monitors. Health monitoring techniques in combination with predictive estimates of component failure based on condition and risk monitors can serve to indicate the risk posed by continued operation in the presence of detected degradation. This combination of predictive health monitoring based on equipment condition assessment and risk monitors can also enable optimization of maintenance scheduling with respect to the economics of plant operation. This report summarizes PNNL’s multi-year project on the development and evaluation of an ERM concept for active components while highlighting FY2016 accomplishments. Specifically, this report provides a status summary of the integration and demonstration of the prototypic ERM framework with the plant supervisory control algorithms being developed at Oak Ridge National Laboratory (ORNL), and describes additional case studies conducted to assess sensitivity of the technology to different quantities. Supporting documentation on the software package to be provided to ONRL is incorporated in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Parallelizing AT with MatlabMPI

The Accelerator Toolbox (AT) is a high-level collection of tools and scripts specifically oriented toward solving problems dealing with computational accelerator physics. It is integrated into the MATLAB environment, which provides an accessible, intuitive interface for accelerator physicists, allowing researchers to focus the majority of their efforts on simulations and calculations, rather than programming and debugging difficulties. Efforts toward parallelization of AT have been put in place to upgrade its performance to modern standards of computing. We utilized the packages MatlabMPI and pMatlab, which were developed by MIT Lincoln Laboratory, to set up a message-passing environment that could be called within MATLAB, which set up the necessary pre-requisites for multithread processing capabilities. On local quad-core CPUs, we were able to demonstrate processor efficiencies of roughly 95% and speed increases of nearly 380%. By exploiting the efficacy of modern-day parallel computing, we were able to demonstrate incredibly efficient speed increments per processor in AT's beam-tracking functions. Extrapolating from prediction, we can expect to reduce week-long computation runtimes to less than 15 minutes. This is a huge performance improvement and has enormous implications for the future computing power of the accelerator physics group at SSRL. However, one of the downfalls of parringpass is its current lack of transparency; the pMatlab and MatlabMPI packages must first be well-understood by the user before the system can be configured to run the scripts. In addition, the instantiation of argument parameters requires internal modification of the source code. Thus, parringpass, cannot be directly run from the MATLAB command line, which detracts from its flexibility and user-friendliness. Future work in AT's parallelization will focus on development of external functions and scripts that can be called from within MATLAB and configured on multiple nodes, while expending minimal communication overhead with the integrated MATLAB library.

43 PARTICLE ACCELERATORS↗

gcamfaostat: An R package to prepare, process, and synthesize FAOSTAT data for global agroeconomic and multisector dynamic modeling

The gcamfaostat R package is designed for the preparation, processing, and synthesis of the Food and Agriculture Organization (FAO) Statistics (FAOSTAT) agroeconomic data. The primary purpose is to facilitate FAOSTAT data use in global economic and multisector dynamic models while ensuring transparency, traceability, and reproducibility. Here, we provide an overview of the development of gcamfaostat (v1.0) and demonstrate its capabilities in generating and maintaining agroeconomic data required for the Global Change Analysis Model (GCAM). Our initiative seeks to enhance the quality and accessibility of data for the global agroeconomic modeling community, with the aim of fostering more robust and harmonized outcomes in a collaborative, efficient, and open-source framework. One of the important features of the package is the possibility to construct the FAO Food Balance Sheets at the disaggregated commodity level (with over 500 commodities), which provides a comprehensive and detailed data input for a variety of analytical and modeling applications. The processed data and visualizations offered by gcamfaostat can also be valuable to a broader audience interested in gaining insights into the intricacies of global agriculture.

97 MATHEMATICS AND COMPUTING↗

Robust RF Photocathodes (Phase II Final Report)

This program addressed requirements for photocathodes with high quantum efficiency (QE) and long lifetimes. Currently, photocathodes with QEs above 1% exhibit lifetimes measured in a few hours. This is unacceptable for commercial devices using photocathodes as the electron source. This includes accelerators for industrial, medical, defense, and educational applications as well as emerging applications, such as time resolved electron microscopy. Calabazas Creek Research, Inc. (CCR) and the University of Maryland (UMD) attempted to develop reservoir photocathodes that dramatically increased lifetime and increased the ability to recover from contaminating events, such as loss of system vacuum. The Phase I program demonstrated the viability of the reservoir approach for higher QE cathodes. The Phase II program focused on design, fabrication, and delivery. This included increasing understanding of photocathode physics, investigating design options, addressing performance issues, and developing fabrication and packaging techniques leading to commercial products. The initial task identified specific photocathode materials that provide high QE and are compatible with the reservoir approach. The goal was that these photocathodes be manufacturable in a production environment, understanding that the “environment” is highly specialized. The photocathode geometry was modified to address several photogun performance issues related primarily to emittance. A goal was to reduce or eliminate thermal emittance issues arising from the reservoir heater. The program developed fabrication, handling, and transport techniques and facilities to allow commercial photocathode production for certain materials. Not only was complex chemistry involved, but practical issues of transporting and installing the cathodes into user systems were addressed. A critical goal was demonstration of reservoir photocathodes in operating RF guns, where performance could be directly measured. Success depended on clear demonstration that the cathodes could be produced, delivered, installed, and provide the required performance. The principal effort in this program was to develop reservoir cesium antimonide photocathodes. Cesium antimonide cathodes provide a work function in excess of the 1% goal, while the current generation exhibits lifetimes measured in hours. The reservoir in CCRs’ controlled porosity reservoir (CPR) cathodes provides a mechanism for replacing cesium evaporating from the surface by transporting replacement cesium from the reservoir. This is accomplished by gently heating the reservoir to induce cesium diffusion through micron-scale pores in the reservoir cap and photocathode emitter. Experiments at the UMD determined that cesium diffused from the reservoir would only react with antimony on the surface if the temperature exceeded 300C. At this temperature, however, the surface cesium evaporated faster than it could be replenished from the reservoir. Consequently, the QE decreased each time recessiation was attempted. This appears to be a fundamental problem with this approach. The sections below provide information on accomplishments for each task in the program. Once the issue with cesium antimonide cathodes was identified, CCR refocused the program to begin investigation of graphene coated photocathodes in collaboration with SLAC National Accelerator Laboratory (SLAC). The photocathode test chamber developed in the program was transferred to SLAC for use in the graphene research. This is described below in a task added to the program.

43 PARTICLE ACCELERATORS↗

Roll-to-Roll Integrated Substrates for OLED Lighting (Final Report)

OLED lighting has immense potential as aesthetically pleasing, energy-efficient general illumination. Unlike other light sources, such as incandescents, fluorescents, and inorganic LEDs, OLEDs naturally emit over a large-area surface. They are glare free, do not need to be shaded, and are cool to the touch, requiring no heatsink. The best efficiencies and lifetimes reported are on par with or better than current forms of illumination. However, the cost for OLED lighting remains high – so much so that these products are not market competitive and there is very low consumer demand. We believe that flexible, plastic-based devices will highlight the advantages of aesthetically-pleasing OLED lighting systems while paving the way for lowering both materials and manufacturing costs. These flexible devices require new development in substrate and support technology, which was the focus of the work reported here. Sinovia Technologies, as part of a collaborative team, has developed integrated plastic substrates to serve as supports for flexible OLED lighting. These substrates include a barrier to protect the OLED from moisture and oxygen-related degradation, a smooth, highly conductive transparent anode to define the OLED area, and a light scattering layer to improve emission efficiency. To ensure low cost, the anode pattern must be defined using high throughput, continuous processing, and any pattern shape should be possible. No current patterning technique meets all of these requirements. This SBIR work demonstrated the use of flexographic printing as an effective method of patterning for integrated substrates. Flexography is a letterpress process commonly used for many types of everyday items including boxes, retail bags, milk cartons, food packaging, disposable cups, adhesive tapes, envelopes, wallpaper, and newspaper. The printing process can go as fast as 600 meters per minute with feature resolution around 10 microns, showing promise for low-cost with high throughput. In this case, Sinovia has successfully used this technique to print transparent anode patterns roll-to-roll as part of our integrated substrate for OLED lighting. We have characterized the printed films and tailored the edges of the printed areas for OLED compatibility. We followed this by making white OLEDs using these anodes. To ensure that our anodes were compatible with different OLED stack structures, we fabricated solution-processed polymer white OLEDs, as well as collaborated with OLEDWorks to fabricate evaporated small-molecule devices. Comparing to results from our previous studies, we find that the flexography process does not have any detrimental effects to our overall substrate. We were able to show that our flexographically printed integrated substrate improves OLED efficiency by 24 – 35%, similar to previous results demonstrated using batch-patterning techniques. The success of this work represents two substantial opportunities for OLED lighting manufacturers. The first to first facilitate flexible lighting panels at scale, and the second to lower costs for by enabling roll-to-roll manufacture of the entire device stack. When realized, both of these will help OLED to become market competitive with other forms of general illumination.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Vapor detection and vapor pressure measurements of fentanyl and fentanyl hydrochloride salt at ambient temperatures

There is a need for non-contact, real-time vapor detection of drugs to combat illicit transportation and help curb the opioid epidemic. The low-volatility of drugs, like fentanyl, makes room temperature vapor detection of illicit drugs challenging, but feasible by atmospheric flow tube-mass spectrometry (AFT-MS). AFT-MS is a non-contact vapor detection approach capable of ultra-trace detection of drugs, including fentanyl and its analogs at low parts-per-quadrillion (ppqv) levels. The determination of vapor pressure values of fentanyl is necessary to understand potential vapor concentrations that may be available for detection. In this paper, vapor pressures of fentanyl free base and fentanyl hydrochloride salt (a common form of the illicit drug) were measured as a function of temperature at or near ambient conditions using the transpiration (gas saturation) method and AFT-MS. Based on our measurements, the vapor pressure of fentanyl at 25 °C is 9.0 × 10-14 atm (90 ppqv), and the vapor pressure of fentanyl hydrochloride at 25 °C is 1.8 x 10-17 atm (0.018 ppqv). We also demonstrate non-contact, real-time vapor detection of fentanyl. Preconcentration of vapors can further extend the detection capabilities. The collection, desorption, and detection of fentanyl vapors at ambient conditions was demonstrated for sampling times of seconds to an hour resulting in increased signal. AFT-MS is a viable detection method of fentanyl and other drugs for screening of packages and cargo.

atmospheric flow tube-mass spectrometry (AFT-MS), ↗

1CPN: A coarse-grained multi-scale model of chromatin

A central question in epigenetics is how histone modifications influence the 3D structure of eukaryotic genomes and, ultimately, how this 3D structure is manifested in gene expression. The wide range of length scales that influence the 3D genome structure presents important challenges; epigenetic modifications to histones occur on scales of angstroms, yet the resulting effects of these modifications on genome structure can span micrometers. There is a scarcity of computational tools capable of providing a mechanistic picture of how molecular information from individual histones is propagated up to large regions of the genome. In this work, a new molecular model of chromatin is presented that provides such a picture. This new model, referred to as 1CPN, is structured around a rigorous multiscale approach, whereby free energies from an established and extensively validated model of the nucleosome are mapped onto a reduced coarse-grained topology. As such, 1CPN incorporates detailed physics from the nucleosome, such as histone modifications and DNA sequence, while maintaining the computational efficiency that is required to permit kilobase-scale simulations of genomic DNA. The 1CPN model reproduces the free energies and dynamics of both single nucleosomes and short chromatin fibers, and it is shown to be compatible with recently developed models of the linker histone. It is applied here to examine the effects of the linker DNA on the free energies of chromatin assembly and to demonstrate that these free energies are strongly dependent on the linker DNA length, pitch, and even DNA sequence. In conclusion, the 1CPN model is implemented in the LAMMPS simulation package and is distributed freely for public use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density functional theory (DFT) code’s grid-decomposition approach scales nearly linearly with the number of graphics processing units (GPUs), even for simulations exceeding thousands of atoms. This scalability makes RMG a compelling tool for high-throughput DFT studies of materials that would otherwise be bottlenecked in other codes (for example, by global fast Fourier transforms in plane-wave DFT). However, the limited workflow infrastructure for RMG has thus far constrained its adoption to a small user community. In this work, we present pyRMG, a Python package designed to streamline the setup and execution of RMG DFT calculations. Built on the pymatgen and ASE (Atomic Simulation Environment) computational materials science Python packages, pyRMG automates input generation and convergence checking, and it integrates with modern job schedulers (e.g., Flux) on leadership-class platforms such as Frontier and Perlmutter. Here, we demonstrate pyRMG for a high-throughput study of strain effects in 2D 2L-Bi 2 Se 3 /2L-NbSe 2 heterostructures, which offers chemical insights into this system and shows that RMG-based workflows can converge with limited user intervention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dark matter capture in celestial objects: treatment across kinematic and interaction regimes

Signatures of dark matter in celestial objects have become of increasing interest due to their powerful detection prospects. To test any of these signatures, the fundamental quantity needed is the rate in which dark matter is captured by celestial objects. Depending on whether dark matter is light, heavy, or comparable in mass to the celestial-body scattering targets, there are different considerations when calculating the capture rate. Furthermore, if dark matter has strong or weak interactions, the physical behaviour important for capture varies. Using both analytic approximations and simulations, here we demonstrate how to treat dark matter capture in a range of celestial objects for arbitrary dark matter mass and interaction strength. We release our calculation framework as a public package available in both Python and Mathematica versions, called Asteria.

79 ASTRONOMY AND ASTROPHYSICS↗

A New Miniaturized Acoustic Transmitter for Marine Animal Tracking

Most marine renewable energy (MRE) technologies are still in their infancy. Many uncertainties remain regarding MRE systems’ impacts on the marine environment and species where they are deployed, which is one of the major hurdles for these systems to be widely adopted at a commercial scale. Currently, the primary technologies to monitor marine animals’ behavior around existing or potential MRE deployment sites are optical and acoustic imaging. However, these methods cannot identify individual animals and thus are less useful in identifying protected species and studying their behavior. Implantable acoustic transmitters with unique identification codes could serve as a complementary technology. To minimize potential bias introduced to the study results, the implanted transmitters must be sufficiently small and light to not affect the animals’ behavior while still having acceptable signal strengths and service life. Recently, we developed a new miniaturized acoustic transmitter that offers a significantly improved signal strength and service life (140 days [projected value] at a 5-s transmission interval) in a smaller and lighter package (0.45 g in the air), compared to the existing technologies. The detection range and detection efficiency of the new transmitter were tested in an actual marine environment and demonstrated a detection range of up to 330 m, a 65% improvement over the existing commercial counterparts operating at similar frequencies. Here, we report the design principles, performance, and manufacturing procedure of the transmitter. Finally, theoretical estimates of the detection range, the actual range, and detection efficiency results from the field testing are presented.

acoustic telemetry↗

Direct measurement of electron beam quality conversion factors using water calorimetry

Purpose: In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. Methods: A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. Results: The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9–20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%–0.40%) and its influence on the perturbation correction (Type B, 0.10%–0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, k{sub ecal}, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM’s TG-51 protocol. General agreement between the relative electron energy dependence of the PTW Roos data measured in this work and a recent MC-based study are also shown. Conclusions: This is the first time that water calorimetry has been successfully used to measure electron beam quality conversion factors for energies as low as 6 MeV (R{sub 50} = 2.25 cm)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ceramic Waste Form Data Package

The purpose of this data package is to provide information about simulated crystalline waste forms that can be used to select an appropriate composition for a Cold Crucible Induction Melter (CCIM) proof of principle demonstration. Melt processing, viscosity, electrical conductivity, and thermal analysis information was collected to assess the ability of two potential candidate ceramic compositions to be processed in the Idaho National Laboratory (INL) CCIM and to guide processing parameters for the CCIM operation. Given uncertainties in the CCIM capabilities to reach certain temperatures throughout the system, one waste form designated 'Fe-MP' was designed towards enabling processing and another, designated 'CAF-5%TM-MP' was designed towards optimized microstructure. Melt processing studies confirmed both compositions could be poured from a crucible at 1600°C although the CAF-5%TM-MP composition froze before pouring was complete due to rapid crystallization (upon cooling). X-ray diffraction measurements confirmed the crystalline nature and phase assemblages of the compositions. The kinetics of melting and crystallization appeared to vary significantly between the compositions. Impedance spectroscopy results indicated the electrical conductivity is acceptable with respect to processing in the CCIM. The success of processing either ceramic composition will depend on the thermal profiles throughout the CCIM. In particular, the working temperature of the pour spout relative to the bulk melter which can approach 1700°C. The Fe-MP composition is recommended to demonstrate proof of principle for crystalline simulated waste forms considering the current configuration of INL's CCIM. If proposed modifications to the CCIM can maintain a nominal temperature of 1600°C throughout the melter, drain, and pour spout, then the CAF-5%TM-MP composition should be considered for a proof of principle demonstration.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

C2R2: Compact Compound Recirculator/Recuperator for Renewable Energy and Energy Efficient Thermochemical Processing

In this report we present the development of a packed particle bed recirculator and heat exchanger. The device is intended to create countercurrent flows of packed particle beds and exchange heat between the flows. The project focused on the design, fabrication, demonstration, and modifications of a simple prototype, in order to attain high levels of heat exchange between particle flows while maintaining an effective particle conveying rate in a scalable package. Despite heat losses in a package not optimized for heat retention, 50% heat recovery was achieved, at a particle conveying efficiency of 40%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Pressure Sensor and Telemetry Methods for Measurement While Drilling in Geothermal Wells (Final Technical Report)

The development and demonstration in this digital telemetry project has brought SiC-based high temperature electronics to a new level of complexity and integration with the active electronic devices and the packaging materials operating at 300°C for greater than 2000 hours. Our highest level of integration is a 6x6mm die with 474 transistors with the most complex functionality to date. Advances were made in the area of device modeling and fabrication, circuit simulation and design, device testing, and packaging. The technologies developed here would help enable sensor systems in enhanced geothermal systems, as well as other applications with high temperature requirements.

15 GEOTHERMAL ENERGY↗