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Challenges for monitoring and data analytics in a leadership public data repository

The availability and disposition of data has assumed increasing importance in large-scale computational science. Data repositories are evolving to meet new classes of requirements: compliance with government access guidelines, support for reproducibility of experimental results, and long-term availability of data products. The Constellation public data repository at the Oak Ridge Leadership Computing Facility faces these issues while being situated in one of the most productive data centers in the world. While monitoring and operational data analysis are ingrained in the operation of the OLCF’s large-scale high performance computing platforms, data repositories do not have this history of support. Problems faced by Constellation range from data size (over 7 petabytes in current holdings) to analytic complexity (detailed curation is both absolutely necessary for many data sets and absolutely impossible for humans to accomplish in any practical manner) to deployment environment (OLCF storage resources are oriented toward the needs of the compute platforms). In this paper we describe some of the challenges for collecting monitoring and analytic data from a leadership public data repository. We also discuss various strategies we are pursuing in order to address these challenges, from manual data collection to plans for introducing machine learning-based curatorial techniques.

Widener, Patrick [ORNL] (ORCID:0000000258820816)↗

Coupled THMC models for bentonite in an argillite repository for nuclear waste: Illitization and its effect on swelling stress under high temperature

Subsurface manipulations such as those expected from the disposal of heat-emanating radioactive waste in deep repositories can induce strongly coupled Thermal (T), hydrological (H), mechanical (M) and chemical (C) processes. Adequate coupled THMC models are highly desirable or even indispensable for performance assessment of such repositories, for examples for the analysis of bentonite-based engineered barrier system (EBS) surrounding the emplaced waste. In this study, we present coupled THMC model simulations of a generic nuclear waste repository in an argillite with a bentonite-based buffer. The objective is to evaluate the chemical changes in the EBS bentonite and their effect on mechanical behavior under high temperature, attempting to shed light on whether EBS bentonite can sustain temperatures higher than 100 °C without significant impact on barrier's performance. Two scenarios were simulated for comparison: a case in which the temperature near the waste canister peaks at 200 °C and a case in which the temperature at the same spot culminate with about 100 °C. Simulations for a generic case with Kunigel-VI bentonite as backfill and Opalinus Clay as host rock were conducted for 1000 years and reported in the previous study (Zheng et al., 2015). In this paper, simulations for 100,000 years have been done for two types of bentonite-based buffer materials: Kunigel-VI and FEBEX bentonite. This enables us to evaluate how different types of bentonite behave in terms of the illitization and its impact on swelling stress and whether we can generalize these results to support decision making. The simulations show the occurrence of illitization in the bentonite buffer and the enhancement of illitization under high temperature. However, FEBEX bentonite undergoes less illitization mainly due to the higher ion concentration in pore water and the lower content of K-feldspar in the bentonite mineral composition. Moreover, the reduction of swelling stress by chemical changes is more pronounced for Kunigel-VI bentonite than for FEBEX bentonite. Furthermore, the results of our model simulations suggest that an argillite repository with a bentonite-based EBS that is similar to FEBEX bentonite could sustain temperatures much higher than 100 °C as far as illitization concerns. Model results also reveal that illitization is stabilized after about 2000 years in bentonite near the waste package, but continues in bentonite near the bentonite-argillite interface, which manifests the strong effect of geochemical interaction between EBS bentonite and host rock on long term illitization in bentonite.

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Enabling pan-repository reanalysis for big data science of public metabolomics data

Public untargeted metabolomics data is a growing resource for metabolite and phenotype discovery; however, accessing and utilizing these data across repositories pose significant challenges. Therefore, here we develop pan-repository universal identifiers and harmonized cross-repository metadata. This ecosystem facilitates discovery by integrating diverse data sources from public repositories including MetaboLights, Metabolomics Workbench, and GNPS/MassIVE. Our approach simplified data handling and unlocks previously inaccessible reanalysis workflows, fostering unmatched research opportunities.

El Abiead, Yasin↗

Evaluation on radiation protection aspect and radiological risk at Mukim Belanja repository

Asian Rare Earth (ARE) is a locally incorporated company that operated a mineral processing operation to extract rare earth element. ARE has received much attention from the public since the beginning of their operation until the work of decommissioning and decontamination of the plant. Due to the existence of Naturally Occurring Radioactive Material (NORM) in the residue, the decommissioning and disposal was done by the company in collaboration with the Perak State Government and the Atomic Energy Licensing Board (AELB). The main objective of this study is to review the level of compliance of the existing Radiation Protection Regulations enforced by AELB particularly in the achievement of allowed exposure dose limit. The next objective was to study the impact of the construction of the Mukim Belanja Repository to workers and public. This study was conducted by analyzing documents that were issued and conducting the area monitoring using a Geiger Muller detector (GM) and Sodium Iodide (NaI(Tl)) survey meters. The measurements were made at 5 cm and 1 m from the ground surface at 27 measurement stations. The external doses measured were within the background levels of the surrounding area. The annual effective dose using the highest reading at 5 cm and 1 m from ground surface by GM detector was calculated to be 1.36 mSv/year and 1.21 mSv/year respectively. Whereas the annual effective dose using the highest reading at 5 cm and 1 m from ground surface by using NaI(Tl) detector was calculated to be 3.31 mSv/year and 2.83 mSv/year respectively. The calculated cancer risks from the study showed that the risk is small compared with the risks derived from natural radiation based on global annual radiation dose to humans. This study therefore indicated that the repository is able to constrain the dose exposure from the disposed NORM waste. The study also revealed that the construction of the repository has complied with all the rules and regulations subjected to it. The exposed dose received by the radiation and the public workers during the construction of the repository were below the annual limit i.e. 20 mSv/year and 1mSv/year respectively.

61 RADIATION PROTECTION AND DOSIMETRY↗

Geological criteria for site selection of an LILW radioactive waste repository in the Philippines

In the selection of sites for disposal facilities involving low- and intermediate-level radioactive waste (LILW), International Atomic Energy Agency (IAEA) recommendations require that 'the region in which the site is located shall be such that significant tectonic and surface processes are not expected to occur with an intensity that would compromise the required isolation capability of the repository'. Evaluating the appropriateness of a site therefore requires a deep understanding of the geological and tectonic setting of the area. The Philippines sits in a tectonically active region frequented by earthquakes and volcanic activity. Its highly variable morphology coupled with its location along the typhoon corridor in the west Pacific region subjects the country to surface processes often manifested in the form of landslides. The Philippine LILW near surface repository project site is located on the north eastern sector of the Island of Luzon in northern Philippines. This island is surrounded by active subduction trenches; to the east by the East Luzon Trough and to the west by the Manila Trench. The island is also traversed by several branches of the Philippine Fault System. The Philippine LILW repository project is located more than 100 km away from any of these major active fault systems. In the near field, the project site is located less than 10 km from a minor fault (Dummon River Fault) and more than 40 km away from a volcanic edifice (Mt. Caguas). This paper presents an analysis of the potential hazards that these active tectonic features may pose to the project site. The assessment of such geologic hazards is imperative in the characterization of the site and a crucial input in the design and safety assessment of the repository. (authors)

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Preliminary safety evaluation of an aircraft impact on a near-surface radioactive waste repository

The aircraft impact accident has become very significant in the design of a nuclear facilities, particularly, after the tragic September 2001 event, that raised the public concern about the potential damaging effects that the impact of a large civilian airplane could bring in safety relevant structures. The aim of this study is therefore to preliminarily evaluate the global response and the structural effects induced by the impact of a military or commercial airplane (actually considered as a 'beyond design basis' event) into a near surface radioactive waste (RWs) disposal facility. The safety evaluation was carried out according to the International safety and design guidelines and in agreement with the stress tests requirements for the security track. To achieve the purpose, a lay out and a scheme of a possible near surface repository, like for example those of the El Cabril one, were taken into account. In order to preliminarily perform a reliable analysis of such a large-scale structure and to determine the structural effects induced by such a types of impulsive loads, a realistic, but still operable, numerical model with suitable materials characteristics was implemented by means of FEM codes. In the carried out structural analyses, the RWs repository was considered a 'robust' target, due to its thicker walls and main constitutive materials (steel and reinforced concrete). In addition to adequately represent the dynamic response of repository under crashing, relevant physical phenomena (i.e. penetration, spalling, etc.) were simulated and analysed. The preliminary assessment of the effects induced by the dynamic/impulsive loads allowed generally to verify the residual strength capability of the repository considered. The obtained preliminary results highlighted a remarkable potential to withstand the impact of military/large commercial aircraft, even in presence of ongoing concrete progressive failure (some penetration and spalling of the concrete wall) of the impacted area. (authors)

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Citing a Data Repository: A Case Study of the Protein Data Bank

The Protein Data Bank (PDB) is the worldwide repository of 3D structures of proteins, nucleic acids and complex assemblies. The PDB’s large corpus of data (> 100,000 structures) and related citations provide a well-organized and extensive test set for developing and understanding data citation and access metrics. In this paper, we present a systematic investigation of how authors cite PDB as a data repository. We describe a novel metric based on information cascade constructed by exploring the citation network to measure influence between competing works and apply that to analyze different data citation practices to PDB. Based on this new metric, we found that the original publication of RCSB PDB in the year 2000 continues to attract most citations though many follow-up updates were published. None of these follow-up publications by members of the wwPDB organization can compete with the original publication in terms of citations and influence. Meanwhile, authors increasingly choose to use URLs of PDB in the text instead of citing PDB papers, leading to disruption of the growth of the literature citations. A comparison of data usage statistics and paper citations shows that PDB Web access is highly correlated with URL mentions in the text. The results reveal the trend of how authors cite a biomedical data repository and may provide useful insight of how to measure the impact of a data repository.

59 BASIC BIOLOGICAL SCIENCES↗

Generic repository design concepts and thermal analysis (FY11).

Reference concepts for geologic disposal of used nuclear fuel and high-level radioactive waste in the U.S. are developed, including geologic settings and engineered barriers. Repository thermal analysis is demonstrated for a range of waste types from projected future, advanced nuclear fuel cycles. The results show significant differences among geologic media considered (clay/shale, crystalline rock, salt), and also that waste package size and waste loading must be limited to meet targeted maximum temperature values. In this study, the UFD R&D Campaign has developed a set of reference geologic disposal concepts for a range of waste types that could potentially be generated in advanced nuclear FCs. A disposal concept consists of three components: waste inventory, geologic setting, and concept of operations. Mature repository concepts have been developed in other countries for disposal of spent LWR fuel and HLW from reprocessing UNF, and these serve as starting points for developing this set. Additional design details and EBS concepts will be considered as the reference disposal concepts evolve. The waste inventory considered in this study includes: (1) direct disposal of SNF from the LWR fleet, including Gen III+ advanced LWRs being developed through the Nuclear Power 2010 Program, operating in a once-through cycle; (2) waste generated from reprocessing of LWR UOX UNF to recover U and Pu, and subsequent direct disposal of used Pu-MOX fuel (also used in LWRs) in a modified-open cycle; and (3) waste generated by continuous recycling of metal fuel from fast reactors operating in a TRU burner configuration, with additional TRU material input supplied from reprocessing of LWR UOX fuel. The geologic setting provides the natural barriers, and establishes the boundary conditions for performance of engineered barriers. The composition and physical properties of the host medium dictate design and construction approaches, and determine hydrologic and thermal responses of the disposal system. Clay/shale, salt, and crystalline rock media are selected as the basis for reference mined geologic disposal concepts in this study, consistent with advanced international repository programs, and previous investigations in the U.S. The U.S. pursued deep geologic disposal programs in crystalline rock, shale, salt, and volcanic rock in the years leading up to the Nuclear Waste Policy Act, or NWPA (Rechard et al. 2011). The 1987 NWPA amendment act focused the U.S. program on unsaturated, volcanic rock at the Yucca Mountain site, culminating in the 2008 license application. Additional work on unsaturated, crystalline rock settings (e.g., volcanic tuff) is not required to support this generic study. Reference disposal concepts are selected for the media listed above and for deep borehole disposal, drawing from recent work in the U.S. and internationally. The main features of the repository concepts are discussed in Section 4.5 and summarized in Table ES-1. Temperature histories at the waste package surface and a specified distance into the host rock are calculated for combinations of waste types and reference disposal concepts, specifying waste package emplacement modes. Target maximum waste package surface temperatures are identified, enabling a sensitivity study to inform the tradeoff between the quantity of waste per disposal package, and decay storage duration, with respect to peak temperature at the waste package surface. For surface storage duration on the order of 100 years or less, waste package sizes for direct disposal of SNF are effectively limited to 4-PWR configurations (or equivalent size and output). Thermal results are summarized, along with recommendations for follow-on work including adding additional reference concepts, verification and uncertainty analysis for thermal calculations, developing descriptions of surface facilities and other system details, and cost estimation to support system-level evaluations.

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Coupling of Nuclear Waste Form Corrosion and Radionuclide Transports in Presence of Relevant Repository Sediments

Assessments of waste form and disposal options start with the degradation of the waste forms and consequent mobilization of radionuclides. Long-term static tests, single-pass flow-through tests, and the pressurized unsaturated flow test are often employed to study the durability of potential waste forms and to help create models that predict their durability throughout the lifespan of the disposal site. These tests involve the corrosion of the material in the presence of various leachants, with different experimental designs yielding desired information about the behavior of the material. Though these tests have proved instrumental in elucidating various mechanisms responsible for material corrosion, the chemical environment to which the material is subject is often not representative of a potential radioactive waste repository where factors such as pH and leachant composition will be controlled by the near-field environment. Near-field materials include, but are not limited to, the original engineered barriers, their resulting corrosion products, backfill materials, and the natural host rock. For an accurate performance assessment of a nuclear waste repository, realistic waste corrosion experimental data ought to be modeled to allow for a better understanding of waste form corrosion mechanisms and the effect of immediate geochemical environment on these mechanisms. Additionally, the migration of radionuclides in the resulting chemical environment during and after waste form corrosion must be quantified and mechanisms responsible for migrations understood. The goal of this research was to understand the mechanisms responsible for waste form corrosion in the presence of relevant repository sediments to allow for accurate radionuclide migration quantifications. The rationale for this work is that a better understanding of waste form corrosion in relevant systems will enable increased reliance on waste form performance in repository environments and potentially decrease the need for expensive engineered barriers.Our current work aims are 1) quantifying and understanding the processes associated with glass alteration in contact with Fe-bearing materials; 2) quantifying and understanding the processes associated with glass alteration in presence of MgO (example of engineered barrier used in WIPP); 3) identifying glass alteration suppressants and the processes involved to reach glass alteration suppression; 4) quantifying and understanding the processes associated with Saltstone and Cast Stone (SRS and Hanford cementitious waste forms) in various representative groundwaters; 5) investigating positron annihilation as a new tool for the study of glass alteration; and 6) quantifying and understanding the processes associated with glass alteration under gamma irradiation.

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The Use of Underground Research Laboratories to Support Repository Development Programs. A Roadmap for the Underground Research Facilities Network.

Under the auspices of the International Atomic Energy Agency (IAEA), nationally developed underground research laboratories (URLs) and associated research institutions are being offered for use by other nations. These facilities form an Underground Research Facilities (URF) Network for training in and demonstration of waste disposal technologies and the sharing of knowledge and experience related to geologic repository development, research, and engineering. In order to achieve its objectives, the URF Network regularly sponsors workshops and training events related to the knowledge base that is transferable between existing URL programs and to nations with an interest in developing a new URL. This report describes the role of URLs in the context of a general timeline for repository development. This description includes identification of key phases and activities that contribute to repository development as a repository program evolves from an early research and development phase to later phases such as construction, operations, and closure. This information is cast in the form of a matrix with the entries in this matrix forming the basis of the URF Network roadmap that will be used to identify and plan future workshops and training events.

MacKinnon, Robert J.↗

Long-Term Information Management (LTIM) of Safeguards Data at Repositories: Phase II

One of the challenges of implementing safeguards for geological repositories will be the long-term preservation of safeguards-related data for 100 years or more. While most countries considering the construction and operation of such facilities agree that safeguards information should be preserved, there are gaps with respect to standardized requirements, guidelines, timescales, and approaches. This study analyzes those gaps and explores research to clarify stakeholder needs, identify current policies, approaches, best practices and international standards, and explores existing safeguards information management infrastructure. The study also attempts to clarify what a safeguards data classification system might look like, how long data should be retained, and how information should be exchanged between stakeholders at different phases of a repository’s life cycle. The analysis produced a variety of recommendations on what information to preserve, how to preserve it, where to store it, retention options and how to exchange information in the long term. Key findings include the use of the globally recognized international records management standard, ISO15489, for guidance on the development of information management systems, and the development of a Key Information File (KIF). The KIF could be used to identify only the most relevant, high-level safeguards information and the history of decision making about the repository. The study also suggests implementing on-site and off-site records storage in digital and physical form; developing a safeguards data classification system; long-term records retention with periodic reviews every 5 to 10 years during each phase of the repository life cycle; and establishing transition procedures well in advance so that data shepherds and records officers can transfer information with incoming facility managers effectively and efficiently. These and other recommendations are further analyzed in this study.

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GDSA Repository Systems Analysis FY19 Update

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition (SFWD), has been conducting research and development on generic deep geologic disposal systems (i.e., geologic repositories). This report describes specific activities in the second half of Fiscal Year (FY) 2019 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package within the SFWST Campaign. The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit, and other tools as needed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

GDSA Repository Systems Analysis Investigations (FY2020)

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition (SFWD), has been conducting research and development on generic deep geologic disposal systems (i.e., geologic repositories). This report describes specific activities in the Fiscal Year (FY) 2020 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package within the SFWST Campaign. The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit, and other tools as needed.

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Draft Operating Procedures for a Generic Repository Licensing Organization

This document is milestone M4FT-15SN0826021: Draft Summary of principle operating procedures for a generic repository licensing organization, the result of efforts under work package FT-15SN082602 DOE Managed HLW and SNF Research: Generic Operating Procedures; e.g., Quality Assurance — Sandia National Laboratories (SNL). The objective of this effort was to develop this draft document identifying and summarizing the principle operating procedures for a generic repository licensing organization. The FY16 follow on work package is FT-165N050303: Develop and Implement Operating Procedures — SNL, having a consistent objective to develop a draft document identifying and summarizing the principle operating procedures for a generic repository licensing organization. This document identifies and describes the principle operating procedures for a hypothetical and generic organization with the responsibility to site, characterize, design, license, construct and operate a repository for the disposal of high-level radioactive waste (HLW) and spent nuclear fuel (SNF) managed by the Department of Energy. These principle operating procedures reflect practices that facilitate compliance with U.S. Nuclear Regulatory Commission (NRC) expectations and NQA-1 quality standards.

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Draft Infrastructure Framework for a Generic Repository Licensing Organization

This document is milestone M4FT-15SN0826011: Draft Summary of generic repository licensing infrastructure, the result of efforts under work Package FT-15SN082601 DOE Managed HLW and SNF Research: Establish a generic organization framework for records management, IT infrastructure, quality assurance, and systems engineering - Sandia National Laboratories (SNL). The objective of this effort was to develop this draft document identifying and summarizing the principle elements of a generic repository licensing infrastructure organizational framework. The FY16 follow on work package is FT-16SN050302- Establish organizational framework to meet regulator expectations - SNL, having the consistent objective to 'Develop a draft document identifying and summarizing the principle elements of a generic repository licensing infrastructure and organizational framework.' This document describes the framework for a generic hypothetical organization with the responsibility to site, characterize, design, license construct and operate a repository for the disposal of high-level radioactive waste (HLW) and spent nuclear fuel ( F) managed by the Department of Energy. organizational framework suggested is intended to be agnostic of the facility location and disposal medium. It is assumed that the facility is to be licensed under U.S. Nuclear Regulatory Commission (NRC) regulation with DOE as the applicant (licensee). Detailed organizational elements reflect a workforce composition and practices that facilitate compliance with NRC expectations and NQA-1 quality standards.

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GDSA Repository Systems Analysis Progress Report

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition (SFWD), has been conducting research and development on generic deep geologic disposal systems (i.e., geologic repositories). This report describes specific activities in fiscal year (FY) 2019 associated with FY19 Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package within the SFWST Campaign. The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit, and other tools as needed.

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Thermal Energy Storage Model Development within the Integrated Energy Systems Hybrid Repository

This publication details newly created energy storage models developed within the HYBRID Modelica repository as part of the Department of Energy Office of Nuclear Energy (DOE-NE) Integrated Energy Systems (IES) program, led by Idaho National Laboratory (INL). Model development to-date includes creation of dynamic systems-level models of concrete, latent heat, and packed-bed thermocline energy storage technologies for deployment in the IES-based HYBRID repository. Models are developed using the latest publicly available data and incorporate the possibility of control strategy inclusion for use with the existing IES modeling, analysis, and optimization toolset. Simulations showcase the abilities of each technology to cyclically charge and discharge when exposed to time-varying boundary conditions. In addition, low-level surrogate models for some of the thermal energy storage technologies were created using Python. These lower order Python files are much cheaper to run (i.e., computationally faster) and thus operate well when incorporated within the stochastic optimization problems run for the IES program. Moreover, economic data was collected for use within the INL-developed Framework for Optimization of ResourCes and Economics (FORCE). This information is incorporated within the FORCE platform. This work has resulted in creation of systems-level models for concrete, latent heat, and thermocline thermal energy storage systems with associated control systems. Now that these models are available, they can be utilized within different integrated energy park concepts to understand optimal system operation, control, and dispatching. Moreover, given the generic nature of the models, industrial partner technologies (e.g., Storworks Power, EnergyNest) can be quickly added to the repository using the existing models as a basis. Additional dynamic models for thermal energy storage concepts can be developed and added to the HYBRID repository as needed.

25 ENERGY STORAGE↗

GDSA Repository Systems Analysis Investigations in FY2021

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition (SFWD), has been conducting research and development on generic deep geologic disposal systems (i.e., geologic repositories). This report describes specific activities in the Fiscal Year (FY) 2021 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package within the SFWST Campaign. The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit, and other tools as needed.

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