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MELCOR

MELCOR is a fully integrated, engineering-level computer code for modeling the progression of severe accidents in light water reactors (LWR) at nuclear power plants and nuclear fuel cycle facilities. Originally developed to assess severe accidents following Three Mile Island, MELCOR’s flexible modeling framework has enabled it to be applied to safety assessments of a much broader range of nuclear power reactor designs and other types of nuclear facilities processing radioactive material. Further, MELCOR can model a broad spectrum of severe accident phenomena such as thermal-hydraulic response in a reactor coolant system; core heat-up, degradation, and relocation; and transport behavior in both boiling water and pressurized water reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development, Implementation, and Verification of Partially-Ionized Collisional Multifluid Plasma Models in Drekar

We consider the development of multifluid models for partially ionized multispecies plasmas. The models are composed of a standard set of five-moment fluid equations for each species plus a description of electromagnetics. The most general model considered utilizes a full set of fluid equations for each charge state of each atomic species, plus a set of fluid equations for electrons. The fluid equations are coupled through source terms describing electromagnetic coupling, ionization, recombination, charge exchange, and elastic scattering collisions in the low-density coronal limit. The form of each of these source terms is described in detail, and references for required rate coefficients are identified for a diverse range of atomic species. Initial efforts have been made to extend these models to incorporate some higher-density collisional effects, including ionization potential depression and three- body recombination. Some reductions of the general multifluid model are considered. First, a reduced multifluid model is derived which averages over all of the charge states (including neutrals) of each atomic species in the general multifluid model. The resulting model maintains full consistency with the general multifluid model from which it is derived by leveraging a quasi-steady-state collisional ionization equilibrium assumption to recover the ionization fractions required to make use of the general collision models. Further reductions are briefly considered to derive certain components of a single-fluid magnetohydrodynamics (MHD) model. In this case, a generalized Ohm's law is obtained, and the standard MHD resistivity is expressed in terms of the collisional models used in the general multifluid model. A number of numerical considerations required to obtain robust implementations of these multifluid models are discussed. First, an algebraic flux correction (AFC) stabilization approach for a continuous Galerkin finite element discretization of the multifluid system is described in which the characteristic speeds used in the stabilization of the fluid systems are synchronized across all species in the model. It is demonstrated that this synchronization is crucial in order to obtain a robust discretization of the multifluid system. Additionally, several different formulations are considered for describing the electromagnetics portion of the multifluid system using nodal continuous Galerkin finite element discretizations. The formulations considered include a parabolic divergence cleaning method and an implicit projection method for the traditional curl formulation of Maxwell's equations, a purely- hyperbolic potential-based formulation of Maxwell's equations, and a mixed hyperbolic-elliptic potential-based formulation of Maxwell's equations. Some advantages and disadvantages of each formulation are explored to compare solution robustness and the ease of use of each formulation. Numerical results are presented to demonstrate the accuracy and robustness of various components of our implementation. Analytic solutions for a spatially homogeneous damped plasma oscillation are derived in order to verify the implementation of the source terms for electromagnetic coupling and elastic collisions between fluid species. Ionization balance as a function of electron temperature is evaluated for several atomic species of interest by comparing to steady-state calculations using various sets of ionization and recombination rate coefficients. Several test problems in one and two spatial dimensions are used to demonstrate the accuracy and robustness of the discretization and stabilization approach for the fluid components of the multifluid system. This includes standard test problems for electrostatic and electromagnetic shock tubes in the two-fluid and ideal shock-MHD limits, a cylindrical diocotron instability, and the GEM challenge magnetic reconnection problem. A one-dimensional simplified prototype of an argon gas puff configuration as deployed on Sandia's Z-machine is used as a demonstration to exercise the full range of capabilities associated with the general multifluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Critical Infrastructure Decision-Making under Long-Term Climate Hazard Uncertainty: The Need for an Integrated, Multidisciplinary Approach

U.S. critical infrastructure assets are often designed to operate for decades, and yet long-term planning practices have historically ignored climate change. With the current pace of changing operational conditions and severe weather hazards, research is needed to improve our ability to translate complex, uncertain risk assessment data into actionable inputs to improve decision-making for infrastructure planning. Decisions made today need to explicitly account for climate change – the chronic stressors, the evolution of severe weather events, and the wide-ranging uncertainties. If done well, decision making with climate in mind will result in increased resilience and decreased impacts to our lives, economies, and national security. We present a three-tier approach to create the research products needed in this space: bringing together climate projection data, severe weather event modeling, asset-level impacts, and contextspecific decision constraints and requirements. At each step, it is crucial to capture uncertainties and to communicate those uncertainties to decision-makers. While many components of the necessary research are mature (i.e., climate projection data), there has been little effort to develop proven tools for long-term planning in this space. The combination of chronic and acute stressors, spatial and temporal uncertainties, and interdependencies among infrastructure sectors coalesce into a complex decision space. By applying known methods from decision science and data analysis, we can work to demonstrate the value of an interdisciplinary approach to climate-hazard decision making for longterm infrastructure planning.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Lawrence Graduate Research Scholar, Allegra Mayer, 2021 (Final Report)

Carbon storage in tropical forest soil depends on the balance between large C inputs from high rates of productivity, and high rates of soil C loss due to rapid decomposition rates. Disturbances to tropical forests, including severe hurricanes, could result in globally significant fluxes of C either to or from forest soils. Severe hurricane events are increasing in frequency in the tropics, yet the vulnerability of soil carbon to a frequent severe hurricane regime is unknown. By constraining a model with samples from before and after three major hurricanes within thirty years, this study examines the cycling of C between soil pools and with depth, under conditions marked by sudden organic matter pulses, rapid shifts in forest structure, and fast decomposition rates.

54 ENVIRONMENTAL SCIENCES↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Ultrafast Electron Microscopy for Spatial-Temporal Mapping of Charge Carriers

This LDRD supported efforts to significantly advance the scanning ultrafast electron microscope (SUEM) for spatial-temporal mapping of charge carrier dynamics in semiconductor materials and microelectronic devices. Sandia's SUEM capability in Livermore, CA, was built and demonstrated with previous LDRD funding; however, the stability and usability of the tool limited the throughput for analyzing samples. A new laser alignment strategy improved the stability of the SUEM, and the design and characterization of a new micro-channel plate (MCP)- based detector improved the signal-to-noise of the SUEM signal detection. These enhancements to the SUEM system improved throughput by over two orders of magnitude (before, a single time series of SUEM measurements would take several days to several weeks to acquire; now, the same measurements can be completed in~90 minutes in an automated fashion). The SUEM system can now be routinely used as an analytical instrument and will be a central part of several multi-year projects starting in FY22.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Minimizing Cr-Evaporation from Balance Of Plant Components By Utilizing Cost-Effective Alumina-Forming Austenitic Steels

A solid oxide fuel cell (SOFC) is a clean and efficient energy conversion device. The development of intermediate-temperature SOFCs has made it preferable to use metallic interconnects (MICs) to greatly reduce the cost and significantly increase the efficiency compared to ceramic interconnect materials. However, gaseous chromium species will evaporate from the chromium-containing layer formed on the surface of commonly used MICs and balance of plant (BoP) components. Volatile chromium species have been shown to form solid deposits which poison the cathodes of SOFCs, causing drastic cell performance degradation and thereby limiting commercialization. In order to alleviate the Cr poisoning and achieve long-term high performance of SOFC stacks, various Al 2 O 3 -forming austenitic (AFA) stainless steels applied at different temperatures are evaluated in this project. Based on our Phase I results (500 h operation), it is shown that on the AFAs, an alumina-based protective layer forms under high temperature that is invulnerable to water vapor effects and suppresses the diffusion of chromium and manganese which can prevent the generation of spinels on the alloy surface. Therefore, 310S, OC4 and OC5 at 800 °C and 625, OC11 and OC11LZ at 900 °C are selected to be tested in the Phase II long-term operation. From the results, we find that besides the lower Cr evaporation rates and better oxidation resistance of AFAs than benchmark alloys after short-term (500 h) operation, AFAs also possess the sturdy and compact alumina layer after a long-term operation (5000 h). A protective oxide layer is of great importance for the long-term high-temperature operation of structural materials. The high-temperature oxidation behavior of AFAs and commercial 310S and 625 alloys in Air + 10% H 2 O at 800 °C and 900 °C is systematically investigated. Severe breakaway oxidation and minor spallation are observed for the 310S and 625 after the long-term operation, while the AFAs show high oxidation resistance. It is found that the formation of a continuous alumina layer could greatly prevent the volatilization of chromium vapors. In addition, the corresponding evolving models are discussed. Chromium evaporation from BoP components in high-temperature environment could severely deteriorate the electrochemical performance of SOFC. Several methods were applied to evaluate the Cr evaporation rates of BoP after 500 h exposure at 800 °C to 900 °C in air with 10% H 2 O. An optimal method was designed to exclude the effect of silicon (Si) deposits from quartz tube and sodium (Na) deposits from the sodium carbonate on the oxidation process and the chemical interaction between Cr gaseous species and alumina tube which could provide further quantitative correlation of the evaporated Cr species quantities and degradation rates of SOFC. Based on the great performance of AFAs after long-term operation, AFAs are assembled with Anode-supported cells (ASC) to investigate the the Cr deposition of anode-supported cell under a constant current density of 0.5 A cm -2 at 800 °C with AFA alloys compared with commercial alloys. In addition, the anodic and cathodic processes are deconvoluted by distribution of relaxation times (DRT) method which are comprehensively discussed. It is found out that the voltage exhibited a slight decrease of 5.09 % and 1.54 % in the presence of OC11 and OC11LZA alloy, respectively. However, a considerable decrease of 22.14 % and 12.06 % was determined in the presence of 310S and 625 alloy, respectively. AFAs possessing the low-cost, low Cr evaporation rates and the high oxidation resistance will make it of great potential to replace the existing BoP components.

01 COAL, LIGNITE, AND PEAT↗

Biological Response Models: Predicting Injury and Mortality of Fish During Downstream Passage through Hydropower Facilities

This report describes the U.S. Department of Energy’s HydroPASSAGE project efforts to develop and collect biological response models for integration into the Biological Performance Assessment (BioPA) toolset and the Hydropower Biological Evaluation Toolset (HBET). These models help understand how fish are likely to respond during dam passage when exposed to hydraulic and physical stressors associated with turbines and other hydropower structures. When fish pass through hydropower facilities, they may encounter several stressors, of which the three most common are collision, rapid decompression, and fluid shear. Specialized equipment has been used to develop 99 biological response models for exposure to blade strike, rapid decompression, or fluid shear. The models were gathered from the literature or developed as part of this effort and include models for 31 different species of fish that have various predicted endpoints (i.e., injury or mortality). Among these models, considerable variation in susceptibility to the stressors has been observed from one species to another, and a species’ susceptibility to one stressor does not necessarily indicate similar susceptibility to another. Although several species have been examined, it is still unclear how many other species, which may have different morphological traits, may respond to these stressors, so further examination of the different species is needed. These models can and have been applied in several different cases, often using the BioPA toolset and HBET, to better understand the potential for injury and mortality that may occur during fish passage at hydropower facilities, including specific applications, such as turbine replacement, the installation of new turbines, or changing operations of currently installed turbines. As hydropower is continually developed to meet the electricity needs of society, tools such as HBET and BioPA, used with the integrated biological response models, will aid in the development of technologies and strategies that avoid, minimize, mitigate, or manage environmental effects.

13 HYDRO ENERGY↗

2021 NIRT Mini Drill (After Action Report)

During the summer and fall of 2021, several functional area drills were held that focused on exercising Consequence Management’s (CM) ability to extract and use data from RadResponder for the purpose of answering intermediate-phase questions presented as technical inject requests for information (RFI) in Sandia National Laboratories (SNL) Consequence Management Operational System (COSMOS) software. The scenario chosen was that of Northern Lights 2016 (NL16) which was a large-scale nuclear power plant (NPP) release exercise in the state of Minnesota. The NL16 data was extracted from the Radiological Assessment and Monitoring System (RAMS) event where it was created and was reformatted for implanting to a new RadResponder event. Next, the beta-version of a laboratory sample data simulator was used to generate more sample data that was injected to the event. Five “mini-drills” were devised with each prompt defined by a data-based need. For each drill, a team of assessment and NARAC scientists worked the problem using the drill prompt and the available data in RadResponder. The teams held a kickoff meeting, had several days to work the problem, and then reported their results as well as observations in a hotwash. Several areas for improvement in both the software and process were identified during the course of these drills. This report will document the process of addressing each RFI and the discovered gaps in both software capability and methodology so that they can be considered for future development and investment by the CM and NIRT programs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

The REDTOP experiment: Rare $\eta/\eta^{\prime}$ Decays To Probe New Physics

The $\eta$ and $\eta^{\prime}$ mesons are nearly unique in the particle universe since they are almost Goldstone bosons and the dynamics of their decays are strongly constrained. The integrated $\eta$-meson samples collected in earlier experiments amount to $\sim10^{9}$ events. A new experiment, REDTOP (Rare Eta Decays To Probe New Physics), is being proposed, with the intent of collecting a data sample of order 10$^{14}$ $\eta$ (10$^{12}$ $\eta^{\prime}$) for studying very rare decays. Such statistics are sufficient for investigating several symmetry violations, and for searching for particles and fields beyond the Standard Model. In this work we present several studies evaluating REDTOP sensitivity to processes that couple the Standard Model to New Physics through all four of the so-called \emph{portals}: the Vector, the Scalar, the Axion and the Heavy Lepton portal. The sensitivity of the experiment is also adequate for probing several conservation laws, in particular $CP$, $T$ and Lepton Universality, and for the determination of the $\eta$ form factors, which is crucial for the interpretation of the recent measurement of muon $g-2$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Core Design of the Holos-Quad Microreactor

The Holos-Quad micro-reactor concept, developed by HolosGen LLC, is equipped with a 22 MWt (Mega-Watt thermal) core and an integral power conversion system converting the core thermal energy into approximately 10 MWe (Mega-Watt electric). This design can be configured to support a wide range of applications. It is a very innovative high-temperature gas-cooled reactor concept using TRI-structural ISOtropic particle fuel (TRISO) distributed in graphite hexagonal blocks, cooled with helium in a direct Brayton cycle independently executed by four Subcritical Power Modules (SPMs) fitted into a hardened 40-foot container whose dimensions are in compliance with ISO shipping containers requirements. In FY2019 HolosGen LLC was awarded by the Department of Energy Advanced Research Project Agency-Energy (DOE ARPA-E) under the MEITNER funding program. As part of the MEITNER award, the Argonne National Laboratory (ANL) contributed expertise through two specialized teams: The “Design Team” and the “Resource Team”. The Design Team was dedicated to validate feasibility of the Holos-Quad core and to optimize its core design through neutronics analyses. The Resource Team was dedicated to feasibility verification via high-fidelity codes of Holos-Quad thermal-hydraulic, heat transfer, shielding, and structural aspects. This report summarizes the activities conducted by ANL Design Team. A rigorous design approach based on multi-criteria optimization and code-to-code comparison involving stochastic and high-fidelity deterministic solutions was developed and employed at several evolutionary stages of the Holos-Quad design. Several generations of the Holos-Quad core were designed within this project before converging to the current full-scale Gen 2+ design that is detailed in this report. Figure EA-1 illustrates a cross-sectional view of Gen 2+ Holos-Quad core configuration, and Figure EA-2 provides a simplified perspective view of 1-of-4 SPMs. The Holos-Quad uses four thermal-hydraulically independent SPMs locked into stationary positions during power operation, surrounded by BeO reflector and structural component fully comprised within the dimensional constraints represented by traditional ISO containers. One of the benefits of this approach is to enable transportation of each SPM promptly after irradiation in shielded containers. The core is designed to operate for approximately 8 full-power years while the reactivity controls and power conversion system enable load-following operations. The reactivity controls are represented by independent, diversified, and redundant reactivity control systems based on control drums and redundant sets of shutdown rods. The high-fidelity simulation tools were used to assess detailed power and flux distributions of the three-dimensional full-core or quarter-core of the Gen 2+ configuration. Single-physics and multi-physics simulations of the neutronics code PROTEUS and the thermal-hydraulic code System Analysis Module (SAM) were performed to analyze the Holos design configurations with detailed high-fidelity solutions. The design work performed confirmed feasibility of the Holos-Quad concept, provided realistic design description for detailed design of the operational system, and identified several core design improvements to be further considered for future reactor development activities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

srlife: A Fast Tool for High Temperature Receiver Design and Analysis

This report describes a tool for estimating the structural service life of tubular, panel solar receivers operating at high temperatures. A complete version of the tool is available as open source software at https://github.com/Argonne-National-Laboratory/srlife and can be installed through the PyPi (https://pypi.org) package manager. Given the basic receiver geometry and the thermal loads on the receiver, the tool provides 1D, 2D, or 3D thermal and structural (single tube and simplified system) analysis and creep-fatigue service life prediction for six metallic alloys – 316H, 800H, Alloy 617, Alloy 740H, and Alloy 230. With the exception of Alloy 230 where the material data is preliminary, the software included a detailed set of models for the materials, well-supported by high temperature experimental test data. The tool is designed for easy integration with a software stack, including solar field and thermohydraulic simulations, for optimizing receiver designs to meet service life and economic targets. The report describes several heuristics that can be applied in srlife to reduce the analysis time by several orders of magnitude but with fairly accurate life estimation when compared with full analysis. The report provides several examples demonstrating the utility of srlife in receiver design. Finally, the report discusses high temperature tests on Alloy 282, collected as part of this project, used to develop and support the material model for that alloy.

47 OTHER INSTRUMENTATION↗

FY2022 Status Update: A Probabilistic Model for Stress Corrosion Cracking of SNF Dry Storage Canisters

Understanding the potential risk of stress corrosion cracking of spent nuclear fuel dry storage canisters has been identified as a knowledge gap for determining the safety of long-term interim storage of spent nuclear fuel. To address this, the DOE is funding a multi-lab DOE effort to understand the timing, occurrence, and consequences of potential canister SCC. Sandia National Laboratories has developed a probabilistic model for canister penetration by SCC. This model has been continuously updated at SNL since 2014. Model uncertainties are treated using a nested loop structure, where the outer loop accounts for uncertainties due to lack of data and the inner aleatoric loop accounts for uncertainties due to variation in nature. By separating uncertainties into these categories, it is possible to focus future work on reducing the most influential epistemic uncertainties. Several experimental studies have already been performed to improve the modeling approach through expanded process understanding and improved model parameterization. The resulting code is physics-based and intended to inform future work by identifying (1) important modeling assumptions, (2) experimental data needs, and (3) necessary model developments. In this document, several of the sub-models in the probabilistic SCC model have been exercised, and the intermediate results, as the model progresses from one sub-model to the next, are presented. Evaluating the sub-models in this manner provides a better understanding of sub-model outputs and has identified several unintended consequences of model assumptions or parameterizations, requiring updates to the modeling approach. The following updates have been made, and future updates have been identified.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Convective Parameters Derived from Radiosonde Data (SONDEPARAM) Value-Added Product Report

Radiosondes provide fundamental observations of the vertical profile of atmospheric state (pressure, temperature, humidity, and winds), with important implications for subsequent studies on environmental controls on cloud conditions. Within convective cloud environments, there is an increasing demand for additional value-added products (VAPs) to facilitate the use of U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility radiosonde data sets. Such VAPs should provide quick and reliable estimates for several standard radiosonde parameters or quantities of interest using common assumptions, as well as open, flexible code for visualization and user interaction. The Convective Parameters Derived from Radiosonde Data (SONDEPARAM) VAP will apply several robust algorithms used in Wang et al. (2020) for the calculation of useful radiosonde convective cloud parameters, including the convective available potential energy (CAPE), convective inhibition (CIN), and other convective parameters, for several different assumptions regarding the initial parcel characteristics (i.e., surface-based, most unstable, mixed layer). These ARM VAP codes are developed in open, flexible Python formats, with the intention that these parameters/calculations will be incorporated into traditional ARM quick-look radiosonde plotting, yet associated with user-available codes for ease in user reproduction and assumption modification.

54 ENVIRONMENTAL SCIENCES↗

Product Consistency Test Results for the LAW HPVR Glasses

This report summarizes the chemical analysis of Product Consistency Test (PCT) leachates received from Pacific Northwest National Laboratory (PNNL). The leachates are from a series of simulated nuclear waste glasses designated Low-Activity Waste High PCT and VHT Response (LAW HPVR) glasses that were designed and fabricated at PNNL. The glasses included both quenched and canister centerline cooled glasses. The reported data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. The elemental release for the study glasses is reported as normalized concentration (NC i ). NC i of several elements was computed for both the target and measured glass compositions, which were similar, resulting in no significant differences when computing the NC i values. The majority of the glasses exhibited NC B , NC Na , and NC Si values that were greater than the Hanford Tank Waste Treatment Plant (WTP) low-activity waste constraint of 4 g/L. Several blank solutions included with the study glasses had K, Na, and Si concentrations above the analytical detection limit. Additionally, several of the reference glasses that were included with the study glasses had Na concentrations that were higher than expected. The unexpected analyte concentrations in the reference glass and blank solutions were insignificant with respect to the reported NC i values, and are noted for completeness and their experimental relevance.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Real-Time Seismic System for Monitoring, Imaging, and Characterization (RT-SEISMIC)

The goal of this Laboratory Directed Research and Development (LDRD) project was to develop a borehole seismic source and sensor array to enable real-time seismic imaging at scales and conditions relevant to the energy industry including both fossil-energy and geothermal. In FY21 and FY22, we designed, built, and tested both a prototype impulse source module for generating seismic energy and a sensing module for recording ground motions generated by the source module array. A pneumatically driven vibratory source was also designed. The source modules were fabricated with all high temperature components and the team has worked to incorporate the current RT-SEISMIC electronics design into a commercially available, high temperature silicon-on-insulator chip integrated circuit. Several issues were identified during fabrication and lab testing that led to redesign of several system components and subsequent retesting. The final round of testing showed that while metal/graphite-based seals worked quite well for static seals, they were unable to provide an adequate gas seal for dynamic, reciprocating part movements which necessitated a final redesign using Kalrez. This change will result in a continuous temperature rating of approximately 275 degrees C for the system. While a field test of the RT-SEISMIC system was targeted in FY22, due to the extended lab testing and redesign efforts, field testing was not achieved. As a result of this LDRD investment, several sponsors have expressed interest in RT-SEISMIC and we expect to continue towards a field demonstration of the full system in the future.

58 GEOSCIENCES↗

Product Consistency Test Results for the HLW HAlG Glasses

This report summarizes the chemical analysis of Product Consistency Test leachates received from Pacific Northwest National Laboratory (PNNL). The leachates are from a series of quenched simulated nuclear waste glasses designated High-Level Waste High Aluminum Glass that were designed and fabricated at PNNL. The reported data is provided to be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. The elemental release for the study glasses is reported as normalized concentration NCi. NCi of several elements was computed for both the target and measured glass compositions. Several of the glasses exhibited NC B , NC Li , and/or NC Na values that were greater than the Environmental Assessment (EA) benchmark values. Several of the leachates from approved reference material (ARM) glasses included with the study glasses had elemental concentrations greater than the expected ranges. Two water blanks contained measurable amounts of Si; measurements confirmed by rerun samples. One water blank also contained a measurable amount of Na.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗