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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

ECP Milestone Memo WBS 2.3.4.13 ECP/VTK-m FY18Q4 [MS-18/09-10] Dynamic Types / Rendering Topologies STDA05-16

The STDA05-16 milestone comprises the following 3 distinct deliverables. OpenMP VTK-m currently supports three types of devices: serial CPU, TBB, and CUDA. To run algorithms on multicore CPU-type devices (such as Xeon and Xeon Phi), TBB is required. However, there are known issues with integrating a software product using TBB with another one using OpenMP. Therefore, we will add an OpenMP device to the VTK-m software. When engaged, this device will run parallel algorithms using OpenMP directives. This will mesh more nicely with other code also using OpenMP. Rendering Topological Entities VTK-m currently supports surface rendering by tessellation of data structures,and rendering the resulting triangles. We will extend current functionality to include face, edge, and point rendering. Better Dynamic Types Impl For the best efficiency across all platforms, VTK-m algorithms use static typing with C++ templates. However, many libraries like VTK, ParaView, and Visit use dynamic types with virtual functions because data types often cannot be determined at compile time. We have an interface in VTK-m to merge these two typing mechanisms by generating all possible combinations of static types when faced with a dynamic type. Although this mechanism works, it generates very large executables and takes a very long time to compile. As we move forward, it is clear that these problems will get worse and become infeasible at exascale. We will rectify the problem by introducing some level of virtual methods, which require only a single code path, within VTK-m algorithms. This first milestone produces a design document to propose an approach to the new system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Numerical study of transition between even and odd toroidal Alfvén eigenmodes on EAST

In this work, linear simulations of toroidal Alfvén eigenmodes (TAEs) driven by energetic particles (EPs) on EAST (Experimental Advanced Superconducting Tokamak) are performed using the hybrid-kinetic MHD model implemented in NIMROD code. Furthermore, the EAST equilibrium is reconstructed using the EFIT code based on the experimental measurement. The “slowing down” distribution is adopted for modeling the equilibrium distribution of the energetic ions from the deuterium neutral beam injection on EAST. The frequency, the dominant poloidal mode number, the radial location and the detailed 2D mode structure of the TAE/RSAE (Reverse Shear Alfvén Eigenmode)/EPM (energetic particle mode) modes are consistent between the eigenvalue analysis and the NIMROD simulation. As the β fraction of EP increases, a transition between even and odd TAEs occurs, along with that between the ballooning and antiballooning mode structures. It is demonstrated that when the β fraction of EP is close to the transition threshold, both types of TAEs coexist.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

SU-C-201-07: Towards Clinical Cherenkov Emission Dosimetry: Stopping Power-To-Cherenkov Power Ratios and Beam Quality Specification of Clinical Electron Beams

Purpose: We propose a Cherenkov emission (CE)-based reference dosimetry method, which in contrast to ionization chamber-based dosimetry, employs spectrum-averaged electron restricted mass collision stopping power-to-Cherenkov power ratios (SCRs), and we examine Monte Carlo-calculated SCRs and beam quality specification of clinical electron beams. Methods: The EGSnrc user code SPRRZnrc was modified to compute SCRs instead of stopping-power ratios (single medium: water; cut-off: CE threshold (observing Spencer-Attix conditions); CE power: Frank-Tamm). SCRs are calculated with BEAMnrc for realistic electron beams with nominal energies of 6–22 MeV from three Varian accelerators (TrueBeam Clinac 21EX, Clinac 2100C/D) and for mono-energetic beams of energies equal to the mean electron energy at the water surface. Sources of deviation between clinical and mono-energetic SCRs are analyzed quantitatively. A universal fit for the beam-quality index R{sub 50} in terms of the depth of 50% CE C{sub 50} is carried out. Results: SCRs at reference depth are overestimated by mono-energetic values by up to 0.2% for a 6-MeV beam and underestimated by up to 2.3% for a 22-MeV beam. The variation is mainly due to the clinical beam spectrum and photon contamination. Beam angular spread has a small effect across all depths and energies. The influence of the electron spectrum becomes increasingly significant at large depths, while at shallow depths and high beam energies photon contamination is predominant (up to 2.0%). The universal data fit reveals a strong linear correlation between R{sub 50} and C{sub 50} (ρ > 0.99999). Conclusion: CE is inherent to radiotherapy beams and can be detected outside the beam with available optical technologies, which makes it an ideal candidate for out-of-beam high-resolution 3D dosimetry. Successful clinical implementation of CE dosimetry hinges on the development of robust protocols for converting measured CE to radiation dose. Our findings constitute a key step towards clinical CE dosimetry.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Optical modeling and physical performances evaluations for the JT-60SA ECRF antenna

The purpose of this work is the optical modeling and physical performances evaluations of the JT-60SA ECRF launcher system. The beams have been simulated with the electromagnetic code GRASP® and used as input for ECCD calculations performed with the beam tracing code GRAY, capable of modeling propagation, absorption and current drive of an EC Gaussion beam with general astigmatism. Full details of the optical analysis has been taken into account to model the launched beams. Inductive and advanced reference scenarios has been analysed for physical evaluations in the full poloidal and toroidal steering ranges for two slightly different layouts of the launcher system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Software Dependability for Digital Instrumentation and Control Systems in Nuclear Power Plants - Lessons Learnt from a DOE Sponsored Project

This paper discusses the lessons learnt from a sponsored study undertaken under the sponsorship of the Department of Energy by a team of scientists at the Ohio State University in collaboration with Technology Resources and experts around the world. This paper makes recommendations for future research and studies based on these lessons learnt. The purpose of the research was to provide a software dependability quantification framework that would allow its evaluation along the software development life cycle for safety critical instrumentation and control systems (I and C) such as those found in nuclear power plants. A typical example of safety critical system is the reactor protection system. The research funded by the Department of Energy built on preliminary research carried out for the US NRC that had focused solely on software reliability quantification. Quantification of software dependability is important for safety critical I and C because the regulatory framework in use in the United States for nuclear power plants is risk informed. Quantification of risk requires quantification of all contributors to risk and those include instrumentation and control systems. The purpose of the study was to help developers of software-based I and C with an early evaluation of the potential risk an application would represent at different stages of the software development life cycle by building gates at the end of each life cycle phase. Life cycle phases of software development comprehend phases such as requirements, design, coding and test. The gates' function would be to stop development from moving forward if the assessed dependability objective for that phase were not met. Gates thresholds were to be defined based on measurements collected during the life cycle phase under evaluation and phases that preceded it and an understanding of the mechanisms that would lead to threatening the dependability objectives. The information contained in the gates would in addition help steer the development towards areas that needed improvement. The following are four high level conclusions to our study. First the study demonstrates a lack of consensus on mechanisms that will threaten the dependability attributes. This lack of consensus should be resolved. The lack of consensus appears for all measures to the exception of reliability. Second, measures should be developed for software availability and safety. Third, for all dependability attributes (with the exception of reliability) consistency of the measurement threads should evaluated and measurement-based development gates derived. Finally our ability to perform such type of research depends in a significant manner on access to vendor and/or utility data. The licensing environment and the first-of-a-kind nature of current software-based applications for nuclear I and C make it difficult to collect the relevant data. An approach which would either increase access to data by providing 'immunity' to the vendor or utility or the development of a software-based I and C for the sole purpose of data collection for research should be investigated. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Nonlocal effects on thermal transport in hydrodynamic simulations of unmagnetized MagLIF-relevant gaspipes on NIF

We present simulations of heat flow relevant to gaspipe experiments on the National Ignition Facility to investigate kinetic effects on transport phenomena. D 2 and neopentane (C 5 H 12 ) filled targets are used to study the laser preheat stage of a MagLIF scheme where an axial magnetic field is sometimes applied to the target. Simulations were done with the radiation-MHD code HYDRA with a collision-dominated fluid model and the SNB nonlocal electron thermal conduction model. Using the SNB model to evolve the electron temperature increased the heat front propagation of neopentane gas targets compared to a local model by limiting radial heat flow. This increases electron temperature near the axis, which decreases laser absorption. We find that the effect of heat flow models on temperature profiles and laser propagation is modest. Beyond the SNB model, we utilize HYDRA to initialize plasma conditions for the Vlasov–Fokker–Planck K2 code. We run K2 until a quasi-steady state is reached and examine the impact of kinetic effects on heat transport. Although axial heat flow is well predicted by fluid models, the fluid model consistently overpredicts radial heat flow up to 150% in regions with the largest temperature gradient of D 2 filled gaspipes. On the other hand, the SNB nonlocal electron conduction model is found to be adequate for capturing kinetic heat flow in gaspipes.

Lau, Ryan Y. [Univ. of Colorado, Boulder, CO (Unit↗
DOE OSTI2019

Multiple Analytical Approach to Isotopic Transport Analysis in Magnetic Fusion Devices

High-Z impurities released from plasma-material interactions have been shown to limit the performance of fusion plasmas, and understanding these impurity transport mechanisms throughout the plasma scrape-off layer is a major challenge. Presented herein is a study of tungsten (W) erosion and transport by uniquely measuring absolute quantities of isotopic W in order to determine the source of natural and enriched 182W isotopes that have traveled throughout the tokamak discharges on the DIII-D National Fusion Facility at General Atomics. Two primary analysis methods have been implemented to characterize this W on graphite collector probes that were inserted into DIII-D’s outboard midplane. Results from experiments using Rutherford backscattering spectrometry (RBS) have measured W particle areal densities down the centerline of the probes as high as 6E14 atoms/cm2 with a detection limit of 1E12 atoms/cm2. Laser ablation inductively coupled plasma mass spectrometry (LAMS) has confirmed the elemental trends found with RBS and has provided additional insight into collector probe surface profiles. Two-dimensional elemental and isotopic maps from LAMS are used to reveal new collector probe features and further refine the source of collected W. Variations in isotopic profiles and total W content are coupled to (a) the face of the probe being analyzed, (b) the dimensions of the probe, and (c) the plasma pulse parameters that were used during probe exposure. These results provide one-of-a-kind empirical evidence that is now being utilized for validation of tokamak impurity transport through theoretical models and in codes such as 3D-LIM and OEDGE.

Duran, Jonah↗
DOE OSTI2025

Community‐Level Metabolic Shifts Following Land Use Change in the Amazon Rainforest Identified by a Supervised Machine Leaning Approach

ABSTRACT The Amazon rainforest has been subjected to high rates of deforestation, mostly for pasturelands, over the last few decades. This change in plant cover is known to alter the soil microbiome and the functions it mediates, but the genomic changes underlying this response are still unresolved. In this study, we used a combination of deep shotgun metagenomics complemented by a supervised machine learning approach to compare the metabolic strategies of tropical soil microbial communities in pristine forests and long‐term established pastures in the Amazon. Machine learning‐derived metagenome analysis indicated that microbial community structures (bacteria, archaea and viruses) and the composition of protein‐coding genes were distinct in each plant cover type environment. Forest and pasture soils had different genomic diversities for the above three taxonomic groups, characterised by their protein‐coding genes. These differences in metagenome profiles in soils under forests and pastures suggest that metabolic strategies related to carbohydrate and energy metabolisms were altered at community level. Changes were also consistent with known modifications to the C and N cycles caused by long‐term shifts in aboveground vegetation and were also associated with several soil physicochemical properties known to change with land use, such as the C/N ratio, soil temperature and exchangeable acidity. In addition, our analysis reveals that these alterations in land use can also result in changes to the composition and diversity of the soil DNA virome. Collectively, our study indicates that soil microbial communities shift their overall metabolic strategies, driven by genomic alterations observed in pristine forests and long‐term established pastures with implications for the C and N cycles.

carbon and nitrogen cycles↗
DOE OSTI2017

Genome Sequence and Composition of a Tolyporphin-Producing Cyanobacterium-Microbial Community

The cyanobacterial culture HT-58-2 was originally described as a strain of Tolypothrix nodosa with the ability to produce tolyporphins, which comprise a family of distinct tetrapyrrole macrocycles with reported efflux pump inhibition properties. Upon reviving the culture from what was thought to be a nonextant collection, studies of culture conditions, strain characterization, phylogeny, and genomics have been undertaken. Here, HT-58-2 was shown by 16S rRNA analysis to closely align with Brasilonema strains and not with Tolypothrix isolates. Light, fluorescence, and scanning electron microscopy revealed cyanobacterium filaments that are decorated with attached bacteria and associated with free bacteria. Metagenomic surveys of HT-58-2 cultures revealed a diversity of bacteria dominated by Erythrobacteraceae , 97% of which are Porphyrobacter species. A dimethyl sulfoxide washing procedure was found to yield enriched cyanobacterial DNA (presumably by removing community bacteria) and sequence data sufficient for genome assembly. The finished, closed HT-58-2Cyano genome consists of 7.85 Mbp (42.6% G+C) and contains 6,581 genes. All genes for biosynthesis of tetrapyrroles (e.g., heme, chlorophyll a, and phycocyanobilin) and almost all for cobalamin were identified dispersed throughout the chromosome. Among the 6,177 protein-encoding genes, coding sequences (CDSs) for all but two of the eight enzymes for conversion of glutamic acid to protoporphyrinogen IX also were found within one major gene cluster. The cluster also includes 10 putative genes (and one hypothetical gene) encoding proteins with domains for a glycosyltransferase, two cytochrome P450 enzymes, and a flavin adenine dinucleotide (FAD)-binding protein. The composition of the gene cluster suggests a possible role in tolyporphin biosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Building an EPA Class VI Permit Application

Summary To accelerate the commercialization of carbon capture and storage (CCS), the US Department of Energy (US DOE) is building on decades of characterization efforts and pilot-scale projects through their CarbonSAFE program. Administered through their National Energy Technology Laboratory, this program seeks to bring fully integrated projects to the sector that can store more than 50 million tonnes of CO2 over a 30-year period. The program, which was enacted before the enhancement of Internal Revenue Code Section 45Q, is in the capture assessment, characterization, and permitting phase. The objectives of this paper are to discuss (a) the injection permitting requirements of the CarbonSAFE projects; (b) information gathering in support of the permit; (c) the timelines of field development and permit-related activities; (d) the major technical components of the field development plan; and (e) early feedback from the regulators toward acceptance of the permit. In Mississippi, more than 30,000 acres have been characterized by six deep characterization wells, a deep groundwater well, and 92 line miles of 2D seismic as part of the CarbonSAFE Project ECO2S. During the acquisition of seismic data, all receiver lines were live, which resulted in the generation of a pseudo-3D seismic design. The incorporation of a 3D seismic survey was not included as part of this project due to logistical difficulties presented by the undulating, wooded surface terrain. A suite of openhole geophysical logs was taken from each well, allowing for a detailed interpretation of prospective storage reservoirs and confining intervals to complement the analysis carried out on the 290 ft of a whole core that was cut through the prospective confining zone and storage reservoir. The detailed geologic and reservoir data were assembled and entered into a 3D model to assess the injection capacity and the area of review (AoR). This information fed into the detailed corrective action, monitoring, testing, and postinjection site care (PISC) modeling. The results have been exceptional. The geologic assessment has revealed three primary storage targets, ranging in depth from 3,500 ft to 6,000 ft. These storage reservoirs net 1,300 ft of sandstone, with mean porosity and permeability of 29% and 3.6 darcies, respectively. Together, these reservoirs have storage capacities that may exceed 20 million tonnes per square mile, making this a gigatonne prospect. Forward modeling of the project resulted in an AoR of 16 sq miles, injecting about 8000 t/d, for 30 years, via two deep injection wells. The excellent confining characteristics of the caprock, relatively simple geologic structure, and lack of historical well drilling activity in this area provide excellent containment of the injected CO2. Based on this work, the project has proposed 20 years of PISC. To date, only two US CO2 injection permits have been granted. These projects relied on a singular capture point feeding a singular sequestration point (source to sink), and considerations have not been made to garner CO2 emissions from other industrial sources. The Kemper County Storage Complex is a first-of-its-kind storage hub concept that looks to develop an area capable of storing significant quantities of CO2 from the region. Also, this work will show how characterization efforts, geological and numerical modeling efforts, and plan development were constructed in support of permit and incentives acceptance.

Energy & Fuels↗
DOE OSTI2017

Domain Specific Language Support for Exascale. Final Project Report

The project developed a domain specific translator enable legacy MPI source code to tolerate communication delays, which are increasing over time due to technological factors. The translator performs source-to-source translation that incorporates semantic information into the translation process. The output of the translator is a C program runs as a data driven program, and uses an existing run time to overlap communication automatically

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Technical Qualification of New Materials for High Efficiency Coal-Fired Boilers and Other Advanced FE Concepts: Haynes® 282® ASME Boiler and Pressure Vessel Code Case

This DOE Fossil Energy project, FEAA117, addressed materials issues relevant to qualifying and deploying a Ni-base alloy for a new application in an advanced ultra-supercritical coal-fired boiler. The goal was the deployment of Haynes International alloy Haynes® 282® for applications in superheaters, reheaters, and steam delivery pipes, by completing base metal, cross-weld and all-weld metal mechanical testing needed for an ASME Boiler and Pressure Vessel Code Case and the associated microstructural analyses needed for assurance of boiler-relevant lifetimes. The alloy also is of interest for other applications including supercritical CO₂ power generation cycles. Tensile testing was completed from 20°-927°C on the three base metal alloy 282 heats, two sets of cross-weld specimens and all weld metal specimens. A total of 148 creep tests with over 565,000 h of cumulative testing was completed on base metal, cross-weld and all weld metal specimens. This project was performed with cost share from Haynes International.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Elucidating the corrosion mechanism of commercial Ni-based Superalloys in UCl3 containing-chloride Molten Salt Systems

Molten salt reactors (MSRs) have gained renewed interest, providing several advantages over their predecessors, including the capability to consume spent fuels, enhancing the environmental sustainability of the uranium fuel cycle. For example, molten chloride fast reactors (MCFRs) can reach criticality with molten chloride spent fuel containing high concentrations of impurities, such as actinide products like uranium chloride (UCl3). However, the redox potential of chloride molten salt fuels may change in the presence of these impurities, dictating their corrosivity and in turn the corrosion performance of structural components, such as those constructed from nickel (Ni)-based alloys. The purpose of this investigation is to assess the extent of corrosion of Ni-based alloy, Inconel 617, when exposed to UCl3-LiCl-KCl eutectic salt. Inconel 617 one of only six structural materials that are fully qualified by the American Society for Mechanical Engineers (ASME) Boiler and Pressure Vessel Code for high-temperature nuclear reactor components, making it a technologically mature material to consider for constructing MCFRs. Inconel 617 specimens were submerged in a static LiCl-KCl-UCl3 eutectic salt mixture heated at 700 C for 1000 h under an inert atmosphere. Upon completion, the extent of corrosion was analyzed through a multi-modal characterization approach spanning the engineering to nanoscale, employing computed tomography, focused-ion beam, and transmission electron microscopy techniques. Results from this investigation will enhance our understanding of property-to-performance relationships of candidate structural materials for MSRs with respect to corrosion resistance and interactions between the salt and alloy interface.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An Architectural Survey of the Area 25 Nuclear Rocket Development Station, Nevada National Security Site, Nye County, Nevada (Volume 1 of 3)

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO), and the U.S. Department of Energy Environmental Management Nevada Program (EM NV) plan to implement corrective action activities (under the Federal Facility Agreement and Consent Order, agreed to by the State of Nevada) and demolition of the Engine Maintenance, Assembly, and Disassembly (E-MAD) facility and the Test Cell C Historic District. These are major components of the unrecorded Nuclear Rocket Development Station (NRDS) Historic District, which is eligible for inclusion in the National Register of Historic Places (NRHP, National Register). The NRDS is in Area 25 of the Nevada National Security Site (NNSS), formerly known as the Nevada Test Site, in Nye County, Nevada. Demolition and removal of the buildings and accessories constitutes an undertaking subject to review under Section 106 of the National Historic Preservation Act (54 United States Code [USC] § 306101) and its implementing regulations, 36 Code of Federal Regulations (CFR) Part 800.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

The Next Generation System Analysis Model: Capabilities for Simulating a Waste Management System - 19131

The U.S. Department of Energy (DOE) Office of Nuclear Energy Office of Spent Fuel and Waste Disposition's Integrated Waste Management System (IWMS) program is applying integrated waste management system architecture analysis, system engineering, and decision analysis principles to inform potential future decisions regarding potential nuclear waste management system architectures. Architecture analyses of the IWMS are being conducted to support the future deployment of a comprehensive system for managing nuclear waste that considers all major aspects of the back end of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The system architecture analyses consider alternative disposition pathways for commercial spent nuclear fuel (SNF) being stored dry in at-reactor Independent Spent Fuel Storage Installations (ISFSIs) or wet in spent-fuel pools. One method for evaluating these alternatives is simulating the movement of SNF throughout the system components. Successfully simulating a system on the scale of a national waste management system requires - accurate baseline information (e.g., historic fuel discharges from reactors and dry storage loadings at reactor sites), - modeling all logistic interactions between components of the proposed system, and - tracking and reporting all relevant details regarding the simulation's execution. The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool designed for the express purpose of modeling the IWMS. It is based on the Performance Analysis Tool, a simulation platform that has been used to model logistics for the Department of Defense and the Federal Emergency Management Agency. Using existing, government-owned software allows NGSAM developers to modify the software at the level of source code and to develop flexible usability and modeling solutions for developing and running simulations of the IWMS. NGSAM imports data from the Oak Ridge National Laboratory (ORNL) Unified Database (e.g., historic assembly information, thermal profiles for assembly heat, at-reactor dry storage loadings) to ensure that the simulation initializes with a realistic representation of the state of commercial SNF in the United States. NGSAM is designed with the flexibility to model and track the behavior of virtually any IWMS architecture assumptions or design considerations. For example, NGSAM can model multiple interim storage facilities or repositories or none at all. Similarly, all assumptions regarding shipment schedules, operating schedules, and reactor operation assumptions can be modeled and adjusted in NGSAM with relative ease. The development of NGSAM was targeted to waste management system analysts as the primary users. With that in mind, analysts from ORNL, Sandia National Laboratories (SNL), and Argonne National Laboratory (ANL) were intimately involved in the development process. That involvement extended beyond merely defining requirements. System analysts have been involved with design decisions and software benchmarking and tests, and they have provided subject-matter expertise where necessary. The result is a high degree of interaction between professional software developers and system analysts, with a multitude of benefits to both groups. This paper explores some of the underlying methodology of the agile software development process used in the creation of NGSAM. It illustrates the capabilities of NGSAM. Some example use cases are discussed as well, with relevant results providing context for how NGSAM is used by system analysts to gain a greater understanding of alternative waste management system architectures. This is a technical paper that does not take into account the contractual limitations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). Under the provisions of the Standard Contract, DOE does not consider spent nuclear fuel in multi-assembly canisters to be an acceptable waste form, absent a mutually agreed-to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract provisions prevail. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Free-free matrix-elements for two-photon opacity

Recent opacity measurements have inspired a close study of the two-photon contributions to the opacity of hot plasmas. The absorption and emission of radiation is controlled by dipole matrix-elements of electrons in an atom or ion. This paper describes two independent methods to calculate matrix-elements needed for the two-photon opacity and tests the results by the f-sum rule. The usual f-sum rule is extended to a matrix f-sum that offers a rigorous test for bound-bound, bound-free and free-free transitions. An additional higher-order sum-rule for the two-photon transition amplitudes is described. In this work, we obtain a simple parametric representation of a key plasma density effect on the matrix-elements. The perturbation theory calculation of two-photon cross-sections is compared to an independent method based on the solution of the time-dependent Schroedinger equation for an atom or ion in a high-frequency electromagnetic field. This is described as a high frequency Stark effect or AC Stark effect. Two-photon cross sections calculated with the AC Stark code agree with perturbation theory to within about 5%. In addition to this cross check, the AC Stark code is well suited to evaluating important questions such as the variation of two-photon opacity for different elements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Specification of the near-Earth space environment with SHIELDS

Here, predicting variations in the near-Earth space environment that can lead to spacecraft damage and failure is one example of “space weather” and a big space physics challenge. A project recently funded through the Los Alamos National Laboratory (LANL) Directed Research and Development (LDRD) program aims at developing a new capability to understand, model, and predict Space Hazards Induced near Earth by Large Dynamic Storms, the SHIELDS framework. The project goals are to understand the dynamics of the surface charging environment (SCE), the hot (keV) electrons representing the source and seed populations for the radiation belts, on both macro- and micro-scale. Important physics questions related to particle injection and acceleration associated with magnetospheric storms and substorms, as well as plasma waves, are investigated. These challenging problems are addressed using a team of world-class experts in the fields of space science and computational plasma physics, and state-of-the-art models and computational facilities. A full two-way coupling of physics-based models across multiple scales, including a global MHD (BATS-R-US) embedding a particle-in-cell (iPIC3D) and an inner magnetosphere (RAM-SCB) codes, is achieved. New data assimilation techniques employing in situ satellite data are developed; these provide an order of magnitude improvement in the accuracy in the simulation of the SCE. SHIELDS also includes a post-processing tool designed to calculate the surface charging for specific spacecraft geometry using the Curvilinear Particle-In-Cell (CPIC) code that can be used for reanalysis of satellite failures or for satellite design.

54 ENVIRONMENTAL SCIENCES↗