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Status of SAS4A/SASSYS Code Developments (FY2018)

SAS4A/SASSYS is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. [1] With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for nearly fifty years. It has been identified as a critical element of safety analysis capabilities for the U.S. Department of Energy, [2] and it will be used to perform the transient safety analysis required to support the authorization basis for the Versatile Test Reactor (VTR).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Advanced Network Research at Fermilab [PowerPoint]

Topics covered: • About Fermilab • Why do we need advanced network research at Fermilab? • Advanced network facilities at Fermilab • Major research projects – WireCap: a novel packet capture engine for commodity NICs in high-speed networks • http://wirecap.fnal.gov – mdtmFTP: a high performance data transfer tool (funded by DOE ASCR, \$1.5M) • http://mdtm.fnal.gov – BigData Express (funded by DOE ASCR, \$2.2M) • http://bigdataexpress.fnal.gov – Quantum network research (funded by DOE ASCR, \$3.2M)

43 PARTICLE ACCELERATORS↗

Vinylester and Polyester 3D Printing (CRADA NFE-17-06792 Final Report)

In Phase 2 of the technical collaboration between Oak Ridge National Laboratory (ORNL) and Polynt Composites USA, a vinyl ester composite material for extrusion deposition additive manufacturing (AM) of thermoset materials was developed, characterized, and functionality demonstrated. Through this work modeling capability was developed to determine the desired in use material characteristics and refined process parameters. Coupon level testing was performed to validate the end use functionality of printed structures. Finally, the material was printed to evaluate its performance in composites tooling applications. This combined effort led to a commercial product, PRD-1520, for Polynt Composites USA specifically designed for large-scale extrusion deposition additive manufacturing of thermoset materials.

36 MATERIALS SCIENCE↗

SAS4A/SASSYS-1 Lead Verification Test Suite

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. Although SAS4A/SASSYS-1 was developed to support the analysis of any liquid-metal-cooled nuclear reactor, it has primarily been utilized to design and analyze Sodium Fast Reactors (SFRs). As a result, most of the verification basis for SAS4A/SASSYS-1 utilizes sodium as a coolant and geometry descriptions that are typical of a SFR facility. In this work, new verification problems are defined to extend the applicability of the SAS4A/SASSYS-1 verification basis into Lead Fast Reactor (LFR) design space. A review of the existing SAS4A/SASSYS-1 SFR verification test suite is performed to determine the number of test cases that are SFR specific. SFR specific test cases are replicated using lead as a coolant and system layouts that are representative of LFRs. This report provides definitions and reference solutions for seven new test cases that scope lead-specific features and capabilities of the software. For a verification test to be considered acceptable, comparisons of analytical solutions to SAS4A/SASSYS-1 predictions must produce negligible or justifiable errors. All LFR specific test cases are found to be acceptable.

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Qualification of System-Level Advanced Reactor Safety Analysis Software for Lead Systems: Final CRADA Report

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. Although SAS4A/SASSYS-1 was developed to support the analysis of any liquid-metal-cooled nuclear reactor, it has primarily been utilized to design and analyze Sodium Fast Reactors (SFRs). As a result, most of the qualification basis for SAS4A/SASSYS-1 has utilized sodium as a coolant and geometry descriptions that are prototypic of SFR configurations. In this project, which partnered with Westinghouse Electric Company, LLC, the initial foundation for a qualification basis centered on prototypic pool-type lead-cooled systems has been established, where the end goal is to extend support for utilization of SAS4A/SASSYS-1 in Lead Fast Reactor (LFR) licensing or authorization. This project included three fundamental technical tasks: LFR V&V test suite development (Task 1); qualification support for LFRs (Task 2); and LFR modeling capabilities evaluation and improvement (Task 3)

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Status of EM Pump Modeling Capability for VTR

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. Most recently, SAS4A/SASSYS-1 has been selected as the safety analysis software for the Versatile Test Reactor (VTR), a new materials testing Sodium Fast Reactor (SFR) to be built by the Department of Energy. In order to support analysis of the VTR, which will utilize ElectroMagnetic (EM) pumps as the primary coolant pumps, the development of new EM pump modeling capabilities has been initiated for SAS4/SASSYS-1. The new physics-based EM pump model captures systems-level transient performance based on equivalent circuit theory and is highly flexible to model a wide range of electromagnetic pumps of the three-phase linear induction type subject to changes in power supply and plant conditions. Within the equivalent circuit framework, two sub-models are developed to provide options for analysts both with and without a detailed geometric characterization of their pump such that minimal information is required to achieve a realistic working model, but specific details of a particular pump design may be captured if sufficient information is provided. In addition, heat generated from pump operation and its transport through the plant system can be modeled to better capture the behavior of certain transients. This paper will outline the model and derive the governing equations of the new EM pump model. An initial comparison between the simple EM pump model and experimental data is made. This comparison shows that the equivalent circuit model can capture pump performance, with greater accuracy near the rated conditions. In order to demonstrate the transient behavior of the new model, a simple transient with an EM pump replacing the centrifugal pumps in the Advanced Burner Test Reactor is included.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Identification of efficient and stable solid-solid electrochemical interfaces for Li-S batteries. Final Report

The objective of this work is to develop a better understanding of the interactions between battery components that drive the observed battery performance. Using computational tools at the atomistic level, we elucidate molecular, crystal, and amorphous structures, interfacial structures and reactions, and electrochemical behavior. We focus on Li metal anodes, liquid electrolytes, solid electrolytes, S cathodes, and metal-oxide cathodes, and their corresponding interfaces. Within liquid electrolytes, we study their bulk structure and dynamics, as a function of salt concentration. The analysis allows to understand the formation of localized high concentrated regions as the solvent is substituted by a weakly interacting diluent species. Analysis of the electron distribution yields the reactive behavior at interfaces. Moreover, we employ tools that allow the characterization of ion and electron transport at interfaces, during the processes of solvation and desolvation occurring while cycling. For Sulfur cathodes we elucidate synthesis processes and the role of carbon-sulfur and nitrogen-sulfur interactions not only to provide electronic conductivity but also to define alternative reaction pathways during discharge of Li-S batteries. Full-cell simulations offer new insights regarding the integration of all the battery components. Our studies also include solid electrolytes and their interfaces with Li metal, S-C, and metal-oxide electrodes.

25 ENERGY STORAGE↗

Status of EM Pump Modeling Capability for VTR

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. Most recently, SAS4A/SASSYS-1 has been selected as the safety analysis software for the Versatile Test Reactor (VTR), a new materials testing Sodium Fast Reactor (SFR) to be built by the Department of Energy. In order to support analysis of the VTR, which will utilize ElectroMagnetic (EM) pumps as the primary coolant pumps, the development of new EM pump modeling capabilities has been initiated for SAS4/SASSYS-1. The new physics-based EM pump model captures systems-level transient performance based on equivalent circuit theory and is highly flexible to model a wide range of electromagnetic pumps of the three-phase linear induction type subject to changes in power supply and plant conditions. Within the equivalent circuit framework, two sub-models are developed to provide options for analysts both with and without a detailed geometric characterization of their pump such that minimal information is required to achieve a realistic working model, but specific details of a particular pump design may be captured if sufficient information is provided. In addition, heat generated from pump operation and its transport through the plant system can be modeled to better capture the behavior of certain transients. This paper will outline the model and derive the governing equations of the new EM pump model. An initial comparison between the simple EM pump model and experimental data is made. This comparison shows that the equivalent circuit model can capture pump performance, with greater accuracy near the rated conditions. In order to demonstrate the transient behavior of the new model, a simple transient with an EM pump replacing the centrifugal pumps in the Advanced Burner Test Reactor is included.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Market Research Study: Applications of ASCR HPC Software

The Department of Energy (DOE)’s Advanced Scientific Computing Research (ASCR) program has developed hundreds of software tools for high performance computing (HPC). Although many HPC hardware advances have permeated the market, such as CPUs, GPUs, TPUs and ASICs, the software developed by DOE for different HPC applications has not necessarily been mined. The DOE is interested in making its HPC software portfolio available to the public in order to maximize the value of what has been developed.

97 MATHEMATICS AND COMPUTING↗

Real-Time Optimization Workflow Status Update

Economically optimal and safe operation of integrated energy systems (IES) requires optimization at many different time scales. A real-time optimization (RTO) workflow will attempt to maximize revenue and minimize operational costs on a time scale of minutes to hours. Such a workflow requires the use of a digital twin (DT), which is a virtual representation of a physical system. The DT is updated using real-time data from the physical system, and serves as a model in an optimization framework. The optimization results are then sent back to the physical system to complete the loop. This report details the progress made in developing building blocks for a DT/RTO framework. The Risk Analysis Virtual Environment (RAVEN) platform within the Framework for Optimization of Resources and Economics (FORCE) tool suite can perform many of the tasks required for building a DT and performing RTO. The first item of this report details RAVEN enhancements that enable RAVEN workflows to be run in various environments. Data communication between the physical system and its DT is essential for successful RTO. This includes preprocessing real-time data, loading data into a data warehouse, and querying the stored data. The second section of this report describes the progress made in implementing an adapter in Python in order for Deep Lynx to handle the data communication. Typical dispatch optimization frameworks are built on linear programming (LP). The prototype RTO workflow developed in this report uses an LP problem as a part of a receding-horizon- or economic model predictive control (EMPC) based optimization. The third section of this report details the framework of an RTO workflow in which the system consists of a simple electrical storage device. A DT can be built from a reduced-order model (ROM). Integrating a ROM into a typical LP optimization framework has been challenging because most optimization packages require the user to write algebraic expressions for the system model. The final section of this report shows how an externally built RAVEN ROM can be integrated in an RTO framework by using the Python package Pyomo. This demonstrates the RTO workflow capability from a software-only perspective and is an important step in demonstrating the capability to implement an RTO workflow for a physical system.

97 MATHEMATICS AND COMPUTING↗

SAS4A/SASSYS-1 Verification Testing for Sodium Fast Reactor Applications: Acceptance Testing Report

SAS4A/SASSYS-1 (SAS) is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. To support demonstration of software pedigree and confirm key functional requirements, this report has been generated to provide detailed verification of the software. Although SAS was developed to support the analysis of any liquid-metal-cooled nuclear reactor, the acceptance testing described in this document focuses on the verification of SAS capabilities as they relate to pool-type Sodium Fast Reactors (SFRs). This report includes documentation of the test problem definition, analytical solution(s), computational solution(s), acceptance criteria, comparisons of analytical/computational solutions, and determination of acceptance of the computational solution(s). Deviations from acceptance criteria are noted.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SAS4A/SASSYS-1 Version 5.7 and 5.6 Release Notes

SAS4A/SASSYS-1 (SAS) is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. In this report, the major developments that were implemented in Versions 5.7 and 5.6 are summarized and an overview of all changes made between versions is presented. SAS Version 5.7 and 5.6 introduced a number of modeling improvements that allow users to capture important phenomena, such as pump heating and metallic fuel performance.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Implicit Approach to Phase Field Modeling of Solidification for Additively Manufactured Alloys [Slides]

We are leveraging modern algorithms and computational science to provide a route to predictive simulation of microstructure evolution on emerging exascale architectures. We are utilizing the fastest supercomputers in the world for modeling and simulation of microstructure evolution for generation of data under AM conditions. Solidification conditions in AM can be tailored for the reliable design of materials to specific performance requirements. Developing computational tools to further characterize alloys and correlate the processing-structure-properties-performance (PSPP) relationship.

36 MATERIALS SCIENCE↗

Extending PETSc’s Composable, Hierarchical, Nested Solvers (Final Report)

For this project, I have focused mainly on developing discretization tech nology in PETSc in order to allow us to support optimal solvers for com plex, multiphysics problems, and also outer-loop problems, such as PDE constrained optimization. There have been improvements to the unstruc tured mesh support in DMPlex and particle discretizations in DMSwarm. In addition, we have produced a number of physical examples, tutorials, and tools for understanding performance.

97 MATHEMATICS AND COMPUTING↗

SAS4A/SASSYS-1 Verification Testing for Sodium Fast Reactor Applications (Acceptance Testing Report)

SAS4A/SASSYS-1 (SAS) is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal- cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over fifty years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. To support demonstration of software pedigree and confirm key functional requirements, this report has been generated to provide detailed verification of the software. Although SAS was developed to support the analysis of any liquid-metal-cooled nuclear reactor, the acceptance testing described in this document focuses on the verification of SAS capabilities as they relate to pool-type Sodium Fast Reactors (SFRs). This report includes documentation of the test problem definition, analytical solution(s), computational solution(s), acceptance criteria, comparisons of analytical/computational solutions, and determination of acceptance of the computational solution(s). Deviations from acceptance criteria are noted.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Status of SAS4A/SASSYS-1 Software Development and Application (FY2024)

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over fifty years. It has been identified as a critical element of safety analysis capabilities for the U.S. Department of Energy and is utilized within industry to perform the transient safety analyses required to support the licensing of Liquid Metal-cooled Fast Reactors (LMFRs). This report summarizes the code development and update activities carried out during FY2024. In FY2024, programmatic activities focused on key improvements to software useability, such as enhanced user interfaces for reactivity feedback modeling, improvements in stability/useability of the Code Manual, and improvements to the acceptance testing infrastructure, including automation of acceptance testing and generation of the Acceptance Testing Report. To support end user applications, an open training was held, a semi-public forum was maintained, and a practical benchmarking and validation matrix was developed which allowed limitations of existing testing capabilities to be assessed. The existing fuel models were also enhanced with improved modeling capabilities and testing for the oxide and annular fuel models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Status of SPCA-ANL Software Development, Software Quality Assurance, and Application (FY2025)

SPCA-ANL is a simulation tool used to perform deterministic analyses of sodium spray and pool fires. Development of the SPCA-II (Spray Pool Combustion Analysis) code began in the mid- 1980s as part of the Clinch River Breeder Reactor (CRBR) Project. At that time, development of SPCA-II, which was led by Rockwell International, was focused on treatment of large-scale sodium spray, stream, and pool fires that were anticipated to be prototypic of the steam generator building cells in CRBR. Under more recent DOE NE programmatic activities, the SPCA-II code was recovered from existing literature and underwent minor modifications to generate a stable executable. This recovered version of the code was not formally released. As part of the Versatile Test Reactor (VTR) Project in the 2010s, the SPCA-II code underwent key modifications to improve stability, address modeling deficiencies, improve consistency between the code manual and software, and address numerous bugs. At this point, SPCA-II was renamed SPCA-ANL. Given that SPCA-II served as the original basis for SPCA-ANL, both codes share an integrated history. Following termination of the VTR Project, the DOE NE Fast Reactor Program resumed support of the software with the goal of building and maintaining software infrastructure that can enable commercial-grade dedication of SPCA-ANL by an end user. Version 1.0, the first external release of SPCA-ANL, was generated in June 2024. This report summarizes the development and maintenance activities completed for SPCAANL in FY2025. This year’s work was focused on improving quality and usability of the code. The provisional Software Quality Assurance (SQA) program has been established and was used to test the procedures for infrastructure improvements, code development, bug fixes, and code releases, as described in the following sections of this report. A code Version 1.0.1 was released in FY25, as described in Chapter 4.

97 MATHEMATICS AND COMPUTING↗

SAS4A/SASSYS-1 Verification Testing for Sodium Fast Reactor Application: Acceptance Testing Report

AS4A/SASSYS-1 (SAS) is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over sixty years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. To support the dedication effort, this report has been generated to provide a detailed description of the available verification testing. The verification testing presented in this report captures functionality testing, focusing mainly on the testing of specific functions and algorithms for accuracy and precision of output, and interface testing, focusing mainly on the testing of critical input parameters and their valid ranges. Although SAS was developed to support the analysis of any liquid-metal-cooled nuclear reactor, the testing described in this document primarily focuses on the verification of SAS capabilities as they relate to a generic pool-type Sodium Fast Reactor (SFR).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗