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Engineered Barrier System Research Activities at LBNL (FY2020 Progress Report)

The design of a radioactive waste repository typically involves a multi-barrier system, including the natural barrier system (NBS), i.e., the host rock and its surrounding subsurface environment, and an engineered barrier system (EBS). The EBS is to be constructed from the man-made, engineered materials placed within a repository. The repository includes the waste form, waste canisters, buffer materials, backfill, and seals. The most common buffer material for EBS is compacted bentonite, which features low permeability and high retardation of radionuclides. Extensive studies concerning the behavior of bentonite backfill in crystalline and argillite/shale geologic environments for nuclear waste disposal have been conducted by means of laboratory experiments, numerical modeling, and large-scale in situ tests in Underground Research Laboratories (URLs) in Switzerland, France, Belgium, and Japan. This report includes the results of LBNL’s research activities conducted according to the objectives and scope of the work packages “SF-20LB01030802 Engineered Barrier System R&D - LBNL” and “SF-20LB01030806 Engineered Barrier System International Collaborations - LBNL” of the Spent Fuel and Waste Science and Technology (SFWST) (formerly called Used Fuel Disposal) Campaign of the Department of Energy’s (DOE) Office of Nuclear Energy. LBNL research studies included laboratory scale tests and modeling of the evolution of the EBS bentonite and associated coupled processes, and impacts of high temperature on parameters and processes relevant to the performance of crystalline and argillite repositories, including the evaluation of the technical basis for applying the maximum allowable temperature. The results of these studies are being addressing the technical elements necessary to evaluate the EBS design concepts. Emphasis is on the study of thermal, mechanical, and chemical processes that influence the performance of EBS, and the development of modeling capability for reliable assessment of these processes, and ultimately supporting the development of the GDSA model with detailed coupled THMC process models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental validation of a phenomenological model of the plasma contacting process

A preliminary model of the plasma coupling process is presented which describes the phenomena observed in ground-based experiments using a hollow cathode plasma contactor to collect electrons from a dilute ambient plasma under conditions where magnetic field effects can be neglected. The locations of the double-sheath region boundaries are estimated and correlated with experimental results. Ion production mechanisms in the plasma plume caused by discharge electrons from the contactor cathode and by electrons streaming into the plasma plume through the double-sheath from the ambient plasma are also discussed.

Williams, John D.↗

Evaluation of Engineered Barrier Systems (FY19 Report)

This report describes research and development (R&D) activities conducted during fiscal year 2019 (FY19) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Eneregy (DOE). The R&D activities focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Genreric Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc.The FY19 EBS activities involved not only modeling and analysis work, but experimental work as well. The report documents the FY19 progress made in seven different research areas as follows: (1) thermal analysis for the disposal of dual purpose canisters (DPCs) in sedimentary host rock using the semianalytical method, (2) tetravalent uranium solubility and speciation, (3) modeling of high temperature, thermal-hydrologic-mechanical-chemical (THMC) coupled processes, (4) integration of coupled thermalhydrologic- chemical (THC) model with GDSA using a Reduced-Order Model, (5) studying chemical controls on montmorillonite structure and swelling pressure, (6) transmission x-ray microscope for in-situ nanotomography of bentonite and shale, and (7) in-situ electrochemical testing of uranium dioxide under anoxic conditions. The R&D team consisted of subject matter experts from Sandia National Laboratories, Lawrence Berkeley National Laboratory (LBNL), Los Alamos National Laboratory (LANL), Pacific Northwest National Laboratory (PNNL), the Bureau de Recherches Géologiques et Minières (BRGM), the University of California Berkeley, and Mississippi State University. In addition, the EBS R&D work leverages international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal. For example, the FY19 work on modeling coupled THMC processes at high temperatures relied on the bentonite properties from the Full-scale Engineered Barrier EXperiment (FEBEX) Field Test conducted at the Grimsel Test Site in Switzerland. Overall, significant progress has been made in FY19 towards developing the modeling tools and experimental capabilities needed to investigate the performance of EBS materials and the associated interactions in the drift and the surrounding near-field environment under a variety of conditions including high temperature regimes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Review and Reflections on the Sun-Climate Connection

The field of sun-climate is beset with an extraordinary number of numerical correlations attempting to relate various periodicities of solar activity with changes in the Earth's weather and climate. Signatures representing climatological variability have been sought for cycles as short as the solar 28-day rotational period up to Milankovich periods of thousands of years, although a majority of correlations have concentrated on the 11-year sunspot and 22-year Hale double sunspot cycles. For the shorter term, parameters including temperature, pressure, winds storm tracks, rainfall, and water levels in rivers and lakes, etc. have been correlated with solar variability. For longer periods, it has been necessary to seek more indirect evidence in ice cores, tree rings, and geologic deep sea cores. Other atmospheric parameters relating to atmospheric electricity and the global electric circuit have also been correlated in similar fashion. Unfortunately, few, if any, of this wide spectrum of numerical correlations have been associated with any viable physical explanation, making most studies in the field an exercise in numerical statistics. More recently, a few suggestions for plausible coupling processes have begun to appear. These, coupled with new and stronger correlations involving selective binning of climatological data sets have injected new life and hope to this field. An overview is given of the historical past and current perspectives, to evaluate possible avenues for defining physical linking processes in the future.

Goldberg, Richard A.↗

Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators

Alquimia v1.0 is a generic interface to geochemical solvers that facilitates development of multiphysics simulators by enabling code coupling, prototyping and benchmarking. The interface enforces the function arguments and their types for setting up, solving, serving up output data and carrying out other common auxiliary tasks while providing a set of structures for data transfer between the multiphysics code driving the simulation and the geochemical solver. Alquimia relies on a single-cell approach that permits operator splitting coupling and parallel computation. We describe the implementation in Alquimia of two widely used open-source codes that perform geochemical calculations: PFLOTRAN and CrunchFlow. We then exemplify its use for the implementation and simulation of reactive transport in porous media by two open-source flow and transport simulators: Amanzi and ParFlow. We also demonstrate its use for the simulation of coupled processes in novel multiphysics applications including the effect of multiphase flow on reaction rates at the pore scale with OpenFOAM, the role of complex biogeochemical processes in land surface models such as the E3SM Land Model (ELM) and the impact of surface–subsurface hydrological interactions on hydrogeochemical export from watersheds with the Advanced Terrestrial Simulator (ATS). These applications make it apparent that the availability of a well-defined yet flexible interface has the potential to improve the software development workflow, freeing up resources to focus on advances in process models and mechanistic understanding of coupled problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A single user efficiency measure for evaluation of parallel or pipeline computer architectures

A precise statement of the relationship between sequential computation at one rate, parallel or pipeline computation at a much higher rate, the data movement rate between levels of memory, the fraction of inherently sequential operations or data that must be processed sequentially, the fraction of data to be moved that cannot be overlapped with computation, and the relative computational complexity of the algorithms for the two processes, scalar and vector, was developed. The relationship should be applied to the multirate processes that obtain in the employment of various new or proposed computer architectures for computational aerodynamics. The relationship, an efficiency measure that the single user of the computer system perceives, argues strongly in favor of separating scalar and vector processes, sometimes referred to as loosely coupled processes, to achieve optimum use of hardware.

Jones, W. P.↗

The Sun Radio Interferometer Space Experiment (SunRISE) Mission

The Sun Radio Interferometer Space Experiment (SunRISE) will provide an entirely new view on particle acceleration and transport in the inner heliosphere by creating the first low radio frequency interferometer in space to localize heliospheric radio emissions. By imaging and determining the location of decametric-hectometric (DH) radio bursts from 0.1 MHz–25 MHz, SunRISE will provide key information on particle acceleration mechanisms associated with coronal mass ejections (CMEs) and the magnetic field topology from active regions into interplanetary space. Six small spacecraft, of a 6U form factor, will fly in a supersynchronous geosynchronous Earth orbit (GEO) orbit within about 10 km of each other, in a passive formation, and image the Sun in a portion of the spectrum that is blocked by the ionosphere and cannot be observed from Earth. Key aspects that enable this mission are that only position knowledge of the spacecraft is required, not active control, and that the architecture involves a modest amount of on-board processing coupled with significant ground-based processing for navigation, position determination, and science operations. Mission-enabling advances in software-defined radios, GPS navigation and timing, and small spacecraft technologies, developed and flown on the DARPA High Frequency Research (DHFR), the Community Initiative for Continuing Earth Radio Occultation (CICERO), and the Mars Cube One (MarCO) missions, have made this mission affordable and low-risk. The SunRISE mission will involve utilizing commercial access to space, in which the SunRISE spacecraft will be carried to their target orbit as a secondary payload in conjunction with a larger host spacecraft intended for GEO.

Neilson, Tim↗

The Sun Radio Interferometer Space Experiment (SunRISE) Mission

The Sun Radio Interferometer Space Experiment (SunRISE) will provide an entirely new view on particle acceleration and transport in the inner heliosphere by creating the first low radio frequency interferometer in space to localize heliospheric radio emissions. By imaging and determining the location of decametric-hectometric (DH, 0.1 MHz–23 MHz) solar radio bursts, SunRISE will provide key information on particle acceleration mechanisms associated with coronal mass ejections (CMEs) and the magnetic field topology from active regions into interplanetary space. The SunRISE Observatory will consist of six space vehicles in a passive formation, in orbits designed to keep them within approximately 10 km of each other, and flying in a supersynchronous geosynchronous Earth orbit (GEO). Each space vehicle consists of a Solar DH-GNSS payload and a 6U form factor spacecraft. The SunRISE Observatory together with significant ground-based processing, will enable imaging of the Sun in a portion of the spectrum that is blocked by the ionosphere and cannot be observed from Earth. Key aspects that enable this mission are that only position knowledge of the space vehicles is required, not active control, and that the architecture involves a modest amount of on-board processing coupled with significant ground-based processing for navigation, position determination, and science operations. Mission-enabling advances in software-defined radios, GPS navigation and timing, and small spacecraft technologies, developed and flown on the DARPA High Frequency Research (DHFR) and the Community Initiative for Continuing Earth Radio Occultation (CICERO) have made this mission affordable and low-risk. The SunRISE mission will exploit the multiple spacecraft per aperture (MSPA) capability of NASA’s Deep Space Network (DSN), for more efficient data transfers of larger data volumes, and utilize commercial access to space, in which the SunRISE space vehicles will be carried to their target orbit as secondary payloads in conjunction with a larger host spacecraft intended for GEO.

Neilson, Tim↗

Evaluation of a Sulfate Solubility Limit Greater Than 0.65 Weight Percent in Sludge Batch 10 Glasses

Previous laboratory-scale crucible testing with batch chemicals confirmed that the sulfate (SO 4 2- ) limit for Sludge Batch 10 (SB10) was 0.65 weight percent (wt.%) in glass. This limit signifies that 0.65 wt.% SO 4 2- can be retained in the glass without the formation of a sulfate phase. The Defense Waste Processing Facility imposes this constraint in the Material Tracking Program. Based on preliminary calculations to support the Material Tracking Program, it was anticipated that transfer volumes of the monosodium titanate/sludge solids (MST/SS) stream from the Salt Waste Processing Facility (SWPF) may need to be reduced to maintain projected sulfate concentrations below 0.65 wt.% in glass. Savannah River Mission Completion requested that the Savannah River National Laboratory perform additional sulfate testing to determine whether a sulfate solubility limit greater than 0.65 wt.% is feasible for SB10, which could allow for higher transfer volumes of the MST/SS stream. This report documents the results of the testing at higher sulfate concentrations for the glass composition region defined by the most recent SB10 projection (November 2022) and Frits 473 and 625. Frit 473 was recommended for SB10 and Frit 625 was used during SB9 processing and the SB9 to SB10 transition. A total of twenty-one glass compositions were developed based on the expected compositional variables, which include sludge-only (SO) and coupled processing with the SWPF, waste loading (WL), and frit composition. The target sulfate concentrations were varied from 0.65-0.85 wt.% at 32 and 40% WL. Each glass was prepared from reagent grade chemicals and melted at 1150 °C. Visual observations were used to confirm the presence of a sulfate salt phase on the cooled glass surfaces. Representative samples of each glass were submitted for chemical composition analysis by inductively coupled plasma-optical emission spectroscopy and Cs analysis by inductively coupled plasma-mass spectrometry. Overall the majority of mean measured values are consistent with the target values for each major oxide of interest with less than 5% error. The percent errors for the measured SO 4 2- concentrations are generally less than 10%, which is comparable with previous sulfate solubility study measurements and acceptable. Only the SO glasses based on Frit 625 formed a sulfate phase at a 0.80 wt.% SO 4 2- target concentration at both 32 and 40% WL. The remainder of the glasses did not form a sulfate layer. Due to the formation of the sulfate phase, the limit is conservatively set at 0.70 wt.% based on the measured sulfate concentrations of 0.71 wt.% and 0.75 wt.% for these two glasses. None of the SO or coupled operation glasses based on Frit 473 formed a sulfate salt phase, which supports a sulfate limit of 0.80 wt.%. The following SO 4 2- concentration limits are recommended during SO and coupled SB10 processing: (1) 0.70 wt.% during processing with Frit 625, and (2) 0.80 wt.% during processing with Frit 473.

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Optics Program Simplifies Analysis and Design

Engineers at Goddard Space Flight Center partnered with software experts at Mide Technology Corporation, of Medford, Massachusetts, through a Small Business Innovation Research (SBIR) contract to design the Disturbance-Optics-Controls-Structures (DOCS) Toolbox, a software suite for performing integrated modeling for multidisciplinary analysis and design. The DOCS Toolbox integrates various discipline models into a coupled process math model that can then predict system performance as a function of subsystem design parameters. The system can be optimized for performance; design parameters can be traded; parameter uncertainties can be propagated through the math model to develop error bounds on system predictions; and the model can be updated, based on component, subsystem, or system level data. The Toolbox also allows the definition of process parameters as explicit functions of the coupled model and includes a number of functions that analyze the coupled system model and provide for redesign. The product is being sold commercially by Nightsky Systems Inc., of Raleigh, North Carolina, a spinoff company that was formed by Mide specifically to market the DOCS Toolbox. Commercial applications include use by any contractors developing large space-based optical systems, including Lockheed Martin Corporation, The Boeing Company, and Northrup Grumman Corporation, as well as companies providing technical audit services, like General Dynamics Corporation

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