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DOE OSTI2024

SAM: A Modern System Code for Advanced Non-LWR Safety Analysis

The System Analysis Module (SAM), developed at Argonne National Laboratory and by collaborators at other organizations, is for advanced non–light water reactor safety analysis. SAM aims to provide fast-running, modest-fidelity, whole-plant transient analysis capabilities that are essential for fast-turnaround design scoping and engineering analyses of advanced reactor concepts. To facilitate code development, SAM utilizes the MOOSE object-oriented application framework, its underlying finite element library, and linear and nonlinear solvers to leverage modern advanced software environments and numerical methods. SAM aims to solve tightly coupled physical phenomena, including fission reaction, heat transfer, fluid dynamics, and thermal-mechanical responses in advanced reactor structures, systems, and components with high accuracy and efficiency. Finally, this paper gives an overview of the SAM code development, including goals and functional requirements, physical models, current capabilities, verification and validation, software quality assurance, and examples of simulations for advanced nuclear reactor applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

SAM Plug-in Development (Phase I Final Report)

The DOE Office of Nuclear Energy (NE) has created an extensive set of advanced modeling and simulation tools for nuclear engineering analysis. The advanced capabilities of these newer analysis codes require more in-depth training, skills, and knowledge in order to effectively utilize them for the design, analysis, and licensing of advanced nuclear systems and experiments. A high learning curve for inexperienced users may deter organizations from incorporating these tools into their internal processes. This project involved development of a plug-in to the Symbolic Nuclear Analysis Package (SNAP) for the System Analysis Module (SAM) tool. SAM is an advanced system analysis tool for reactor transient analyses being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. SAM utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage modern advanced software environments and numerical methods. SNAP provides a highly flexible framework for creating, modifying and documenting input for engineering analysis codes such as SAM as well as extensive functionality for submitting, monitoring, and interacting with the codes through an intuitive graphical user interface (GUI). The common user interface provided by SNAP minimizes the learning curve for engineers starting with a new analysis code and provides an intuitive framework for transitioning between different analysis codes. SNAP provides a powerful but intuitive interface to facilitate access to advanced modeling and simulation tools for inexperienced users. Unlike many “form based” GUI’s, SNAP maps each engineering code’s component input to an internal database which manages all component input parameters along with component interconnections. This level of abstraction permits SNAP to support several advanced capabilities such as renodalization, model validation and consistency checks, embedded documentation, model notebook generation, data ownership and reviewer tracking, and variable assignment for inputs to name a few. SNAP includes a built-in Python interpreter and is interfaced to several commercial and open source packages including CPython, MATLAB/OCTAVE, Microsoft Office, Open Office, and SANDIA’s DAKOTA package which provides Uncertainty Quantification analysis through the SNAP plug-ins. Phase I of this project involved development a fully functional basic SAM plug-in to SNAP. This plug-in provides the ability to import existing models, graphically construct, edit and submit models using SNAP’s extensive functionality.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High- temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes ad- vantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

SAM User’s Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High-temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

SAM User's Guide

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

3D full wave fast wave modeling with realistic antenna geometry and SOL plasma

This paper reports the significant advancement of our ability to model and to understand how RF waves interact with the SOL plasma, by simulating the full torus 3D SOL plasma together with the antenna and core plasma. We introduce and use a recently developed and open source code, Petra-M, which was constructed on the scalable MFEM C++ finite element library, and performed 3D full wave simulations in the HHFW regime for both NSTX-U and LAPD plasmas. A first full wave simulation for a full 3D torus including a realistic antenna geometry and SOL plasma region for NSTX-U is presented. A scan of the antenna phasing shows a strong interaction between FWs and the SOL plasma for lower antenna phasing, which is consistent with previous NSTX HHFW observations. The effect of the 3D wave field on the fast ion population from NBI beams in NSTX-U is also discussed by using the 3D field obtained from the Petra-M simulations in the full-orbit following particle SPIRAL code. On LAPD, 3D full wave simulations of a new HHFW 4-strap antenna recently installed by TAE Technologies on LAPD are performed showing a qualitative agreement with experimental data.

Bertelli, Nicola↗

DOE OSTI2020

Comparison between PARFUME and Bison Using the AGR-2 Irradiation Experiment

This report documents comparisons between Fuel Model (PARFUME) model predictions versus Bison for selected compacts from the second irradiation test of the Advanced Gas Reactor (AGR) program that occurred from June 2010 to October 2013 in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). PARFUME is a fuel performance analysis and modeling code, used for evaluating gas-reactor tristructural isotropic (TRISO) coated particle fuel for prismatic, pebble bed, plate, and cylindrical type fuel geometries. PARFUME is an integrated mechanistic computer code that evaluates the thermal, mechanical, and physico-chemical behavior of TRISO coated-fuel particles and the probability for fuel failure given the particle-to-particle statistical variations in physical dimensions and material properties that arise during the fuel fabrication process. Bison is a nuclear fuel performance application built using the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library (Permann 2020). Bison is capable of modeling multiple fuel forms in a wide variety of dimensions and geometries. It solves coupled nonlinear partial differential equations, including heat conduction, mechanics, fission product species transport etc., in a fully implicit manner. Comparisons between PARFUME and Bison were performed using four compacts from the AGR-2 experiment. Selected outputs were chosen based on their impact on the probability of the SiC layer failing. In general there was good agreement between PARFUME and Bison with the exception of predicting the gap formed between the buffer and IPyC. Further comparisons between PARFUME and Bison are planned to further develop Bison’s capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

An HPC-Based Hydrothermal Finite Element Simulator for Modeling Underground Response to Community-Scale Geothermal Energy Production

Geothermal heat, as renewable energy, shows great advantage with respect to its environmental impact due to its significantly lower CO2 emissions than conventional fossil fuel. Open and closed-loop geothermal heat pumps, which utilize shallow geothermal systems, are an efficient technology for cooling and heating buildings, especially in urban areas. Integrated use of geothermal energy technologies for district heating, cooling, and thermal energy storage can be applied to optimize the subsurface for communities to provide them with multiple sustainable energy and community resilience benefits. The utilization of the subsurface resources may lead to a variation in the underground environment, which might further impact local environmental conditions. However, very few simulators can handle such a highly complex set of coupled computations on a regional or city scale. We have developed high-performance computing (HPC) based hydrothermal finite element (FE) simulator that can simulate the subsurface and its hydrothermal conditions at a scale of tens of km. The HPC simulator enables us to investigate the subsurface thermal and hydrologic response to the built underground environment (such as basements and subways) at the community scale. In this study, a coupled hydrothermal simulator is developed based on the open-source finite element library deal.II. The HPC simulator was validated by comparing the results of a benchmark case study against COMSOL Multiphysics, in which Aquifer Thermal Energy Storage (ATES) is modeled and a process of heat injection into ATES is simulated. The use of an energy pile system at the Treasure Island redevelopment site (San Francisco, CA, USA) was selected as a case study to demonstrate the HPC capability of the developed simulator. The simulator is capable of modeling multiple city-scale geothermal scenarios in a reasonable amount of time.

Sun, Xiang↗

DOE OSTI2022

Comparison of Fission Product Release Predictions using PARFUME and BISON with Results from the AGR-3/4 Irradiation Experiment

The PARFUME (PARticle Fuel ModEl) fuel performance modeling code and the BISON nuclear fuel performance application built on the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library were used to predict the fission product release from tristructural isotropic (TRISO) coated fuel particles and compacts during the third and fourth irradiation experiment of the Advanced Gas Reactor (AGR-3/4) Fuel Development and Qualification Program. The fuel performance modeling codes PARFUME and BISON modeled the AGR-3/4 irradiation experiment using the fuel compact time-averaged volume averaged (TAVA) daily temperatures for a total irradiation duration of 369.1 effective full power days (EFPD) to predict the release fraction of the fission product silver (Ag-110m) from a representative TRISO-coated fuel particle from AGR-3/4 compacts. Post-irradiation examination (PIE) measurements provided data on the release of these fission products in the compacts outside of the silicon carbide (SIC) layer. The PARFUME and BISON results were then compared to the silver release measured from compact gamma scanning. The results showed good agreement between PARFUME and BISON but both codes under-predicted the silver release fraction for all the compacts. In addition, BISON was used to model and predict the fission product concentration radial profile outside of the compacts in capsules’ inner and outer rings. These rings were either comprised of matrix and/or structural graphite. To obtain the concentration profiles of silver, cesium, and strontium, a sorption isotherm model was developed in BISON to capture the effects of fission product transport across the gaps between the concentric rings. The general shape of the concentration radial profiles as calculated by BISON were similar in the inner ring (IR) but varied in the outer ring (OR) depending on the fission product of interest or capsule temperature. Using this methodology and model, BISON now has the capability to aid in developing new fission product diffusion coefficients for matrix or structural graphite materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

BISON As-run AGR-3/4 Irradiation Test Predictions

BISON, a nuclear fuel performance application built using the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library, was used to model the Advanced Gas Reactor (AGR)-3/4 irradiation test using as-run physics and thermal hydraulics data. The AGR-3/4 test consists of the combined third and fourth planned irradiations of the AGR Fuel Development and Qualification Program. The AGR-3/4 test train consists of twelve separate and independently controlled and monitored capsules. Each capsule contains four compacts filled with both uranium oxycarbide (UCO) unaltered “driver” fuel particles and UCO designed-to-fail (DTF) fuel particles. The DTF fraction was specified to be 1×10-2. This report documents the calculations performed to predict the failure probability of tristructural isotropic (TRISO) coated driver fuel particles during the AGR-3/4 experiment on a single compact. This report will demonstrate the capabilities of BISON to model the complex AGR-3/4 irradiation test and identify further development needed to capture the fuel particle failure probability and source term on every compact for further comparison from post-irradiation examination (PIE) data. The calculations include the modeling of the AGR-3/4 irradiation that occurred from December 2011 to April 2014 in the Advanced Test Reactor (ATR) over a total of 10 ATR cycles including seven normal cycles, one low power cycle, one unplanned outage cycle, and one Power Axial Locator Mechanism (PALM) cycle.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Modular Finite Element Methods

MFEM is a free, lightweight, scalable C++ library for finite element methods. The goal of MFEM is to enable research and development of scalable finite element discretization and solver algorithms through general finite element abstractions, accurate and flexible visualization, and tight integration with the hypre library. Conceptually, MFEM can be viewed as a finite element toolbox that provides the building blocks for developing finite element algorithms in a manner similar to that of MATLAB for linear algebra methods.

ECP↗

DOE OSTI2022

3D full wave fast wave modeling with realistic HHFW antenna geometry and SOL plasma in NSTX-U

This paper reports the significant advancement of our ability to model and to understand how RF waves interact with the SOL plasma, by developing for the full torus 3D scrape-off layer (SOL) plasma simulation together with the antenna and core plasma in the NSTX-U device in HHFW frequency regime for a cold plasma model. The present paper extends the previous modeling (Bertelli et al 2020 AIP Conf. Proc. 2254 030001) to a full 3D device geometry including realistic antenna geometry in order to capture a more realistic experimental situation including the fully 3D wave field effects and the antenna plasma interaction in the SOL plasma, and, at the same time, resulting core wave propagation. Here, the central tool of the present work is the Petra-M code, which is a newly developed state-of-the-art generic electromagnetic simulation tool for modeling RF wave propagation based on MFEM (http://mfem.org), an open source scalable C++ finite element method library.

3D RF modeling↗

DOE OSTI2024

Performance Portable Graphics Processing Unit Acceleration of a High-Order Finite Element Multiphysics Application

The Lawrence Livermore National Laboratory (LLNL) will soon have in place the El Capitan exascale supercomputer, based on advanced micro devices (AMD) graphics processing units (GPUs). As part of a multiyear effort under the National Nuclear Security Administration (NNSA) Advanced Simulation and Computing (ASC) program, we have been developing marbl, a next generation, performance portable multiphysics application based on high-order finite elements. In previous years, we successfully ported the Arbitrary Lagrangian–Eulerian (ALE), multimaterial, compressible flow capabilities of marbl to nvidia GPUs as described in Vargas et al. Here, in this paper, we describe our ongoing effort in extending marbl's GPU capabilities with additional physics, including multigroup radiation diffusion and thermonuclear burn for high energy density physics (HEDP) and fusion modeling. We also describe how our portability abstraction approach based on the raja Portability Suite and the mfem finite element discretization library has enabled us to achieve high performance on AMD based GPUs with minimal effort in hardware-specific porting. Throughout this work, we highlight numerical and algorithmic developments that were required to achieve GPU performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Using the Stix finite element RF code to investigate operation optimization of the ICRF antenna on Alcator C-Mod

Abstract As the Ion Cyclotron Radio Frequency range (ICRF) heating becomes more favorable in fusion devices, the urgency of predicting and mitigating impurity generation that arises from it becomes more pressing. In the ICRF regime, rectified Radio Frequency (RF) sheaths are known to form at antenna and material edges that influence negative effects like sputtering and a decrease in heating efficiency. Methods to mitigate the formation of these RF sheaths through RF image currents cancellation have been experimentally studied. A power-phasing scan done on Alcator C-Mod in which the amount of power on the two inner straps ( P in ) versus the total 4 straps ( P tot ) was varied showed a minimization of enhanced potentials between P in / P tot ∼ 0.7–0.9 while impurities were minimized for P in / P tot ∼ 0.5–0.8. New capabilities in the realm of representing the RF sheath numerically now allow for these experiments to be simulated. Given the size of the sheath relative to the scale of the device, it can be approximated as a Boundary Condition (BC). A new parallelized cold-plasma wave equation solver called Stix implements a non-linear sheath impedance model BC formulated by Myra et al (2015 Phys. Plasmas 22 062507) through the method of finite elements using the MFEM library [ http://mfem.org ]. It is seen that Stix shows qualitative agreement with the measured C-Mod enhanced potentials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Science & Technology Review: The Road to Exascale Computing

At Lawrence Livermore National Laboratory, we focus on science and technology research to ensure our nation’s security. We also apply that expertise to solve other important national problems in energy, bioscience, and the environment. Science & Technology Review is published eight times a year to communicate, to a broad audience, the Laboratory’s scientific and technological accomplishments in fulfilling its primary missions. The publication’s goal is to help readers understand these accomplishments and appreciate their value to the individual citizen, the nation, and the world. The Department of Energy’s Exascale Computing Project (ECP) and Lawrence Livermore’s RADIUSS (Rapid Application Development via an Institutional Universal Software Stack) initiative benefit from strategically developed software tools. The front cover shows a simulation of advection under twisting rotation that uses high-order finite elements from Livermore’s Modular Finite Element Methods (MFEM) software library and GLVis visualization tool. On the back cover, the logo (also created with GLVis) for the MFEM project illustrates the curved mesh and sub-element resolution used in high-order simulations. MFEM and GLVis are key components of the ECP’s co-design Center for Efficient Exascale Discretizations (CEED) and RADIUSS. MFEM is also part of ECP’s Extreme-Scale Scientific Software Development Kit (xSDK).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

NEAMS TH CRAB

The MOOSE framework is a library designed to make it straightforward for physicists and engineers to model partial differential equations using finite element and finite volume methods. Finite elements have been a part of the framework library since MOOSE's inception over a decade ago. Initial finite volume capability, however, was added only as recently as May of 2020. Since that time, significant work has been conducted to develop fluid modeling capability based on the finite volume method. Much of this work has taken place in MOOSE's navier_stokes module and in the NEAMS program's coarse mesh CFD code Pronghorn. We report here on development in MOOSE and Pronghorn of incompressible, porous incompressible, and weakly compressible finite volume simulation capabilities and their application to modeling of MSR and FHR advanced reactor concepts.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Assessing Accelerator Library Integration in MOOSE

MOOSE is a general purpose open source multiphysics framework supporting native finite element and finite volume discretizations as well and wrapping other libraries providing arbitrary computational capabilities. Due to its generality, it has experienced significant success. However, with recent changes in the landscape of computer architectures, most notably the growth of GPU computing, MOOSE must assess new technologies or else risk alienating customers interested in the benefits these technologies can offer. In that vein we have assessed multiple accelerator libraries developed through the ECP project, including Kokkos, libCEED, and MFEM, and present our evaluation of these libraries as candidates for incorporation into the MOOSE framework.

97 MATHEMATICS AND COMPUTING↗