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High-Fidelity CFD Verification Workshop 2024: Spalart-Allmaras QCR2000-R Turbulence Model

This is an invited paper for the SciTech 2023 special session, High-Fidelity CFD Verification Pre-Workshop. The paper presents three benchmark cases for verification of Reynolds-averaged Navier-Stokes solvers. The verification studies focus on a one-equation Spalart-Allmaras model, SA-neg-QCR2000-R. The benchmark cases are a two-dimensional subsonic flow around a Joukowski airfoil, a subsonic three-dimensional flow around an extruded NACA0012 wing in a tunnel, and a subsonic flow around a wing-body configuration developed by Boeing for verification of solvers participating in the High-Lift Prediction Workshop. The turbulence-model formulation, geometry, flow conditions, grids, and the desired submission data are described in detail. Reference solutions computed by established codes are shown.

CFD

Modeling and verification of dynamic field ionization for laser-target interactions

Integrating field ionization models into kinetic plasma simulations is required for a variety of applications, especially when field strengths vary from low to high regimes, such as in laser-target interactions. The introduction of new physics models into kinetic codes requires a rigorous verification of their accuracy through well-defined verification problems. In this work, the field ionization model that has been included in the kinetic plasma code VPIC is presented, along with the detailed approach adopted for its integration. This model includes a comprehensive range of field ionization mechanisms: multiphoton ionization, tunneling ionization, and barrier suppression ionization. New verification problems employed to evaluate the ionization model's fidelity are outlined, and the simulation parameters that affect the accuracy of simulation results are explored. Additionally, this work addresses the impact of field ionization on computational performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Implementation of a Drift Flux Model into SAM with Development of a Verification and Validation Test Suite for Modeling of Noncondensable Gas Mixtures

The advanced thermal-hydraulic system code, System Analysis Module (SAM), was originally developed for the modeling of single-phase flow in advanced reactors. It has since been expanded to include a four-equation drift flux model for the modeling of two-phase flows containing a noncondensable gas. The model was expanded to support the modeling of molten salt reactor (MSR) designs in which the fuel is directly dissolved in the circulating coolant. These designs have shown that circulating gas bubbles can play an important role in the management of fission products and the operational behavior of the reactor. A drift flux model was implemented to more accurately capture the localized behavior of the void in the core and its impact on the mass transfer of fission products. A thorough assessment of the new model was performed by developing a verification and validation test suite. Verification problems were designed to test all major terms in the new governing equations. The new model converged to the correct solution at the expected order of accuracy for all verification cases. The validation cases included a wide range of flow and void conditions in different pipe geometries. Although higher void experiments show a slight underprediction of void by the drift flux model, experiments that aim to reproduce Molten Salt Reactor Experiment (MSRE) experimental conditions show good agreement with the model. The gas transport model was activated for a SAM model of the MSRE to demonstrate that it can be used in a more complex model. Finally, this gas transport model will be used along with an interfacial area transport equation being implemented in SAM for the prediction of mass transport behavior in MSR conditions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Trends in software verification

steady increase in computational power of general purpose computers, our ability to analyze routine software artifacts is also steadily increasing. As a result, we are witnessing a shift in emphasis from the verification of abstract hand-built models of code, towards the direct verification of implementation level code. This change in emphasis poses a new set of challenges in software verification. We explore some of them in this paper.

software verification

Validation (not just verification) of Deep Space Missions

ion & Validation (V&V) is a widely recognized and critical systems engineering function. However, the often used definition 'Verification proves the design is right; validation proves it is the right design' is rather vague. And while Verification is a reasonably well standardized systems engineering process, Validation is a far more abstract concept and the rigor and scope applied to it varies widely between organizations and individuals. This is reflected in the findings in recent Mishap Reports for several NASA missions, in which shortfalls in Validation (not just Verification) were cited as root- or contributing-factors in catastrophic mission loss. Furthermore, although there is strong agreement in the community that Test is the preferred method for V&V, many people equate 'V&V' with 'Test', such that Analysis and Modeling aren't given comparable attention. Another strong motivator is a realization that the rapid growth in complexity of deep-space missions (particularly Planetary Landers and Space Observatories given their inherent unknowns) is placing greater demands on systems engineers to 'get it right' with Validation.

verification

Toward Automatic Verification of Goal-Oriented Flow Simulations

We demonstrate the power of adaptive mesh refinement with adjoint-based error estimates in verification of simulations governed by the steady Euler equations. The flow equations are discretized using a finite volume scheme on a Cartesian mesh with cut cells at the wall boundaries. The discretization error in selected simulation outputs is estimated using the method of adjoint-weighted residuals. Practical aspects of the implementation are emphasized, particularly in the formulation of the refinement criterion and the mesh adaptation strategy. Following a thorough code verification example, we demonstrate simulation verification of two- and three-dimensional problems. These involve an airfoil performance database, a pressure signature of a body in supersonic flow and a launch abort with strong jet interactions. The results show reliable estimates and automatic control of discretization error in all simulations at an affordable computational cost. Moreover, the approach remains effective even when theoretical assumptions, e.g., steady-state and solution smoothness, are relaxed.

Simulations

Verification Testing: Meet User Needs Figure of Merit

Verification is the process through which Modeling and Simulation(M&S) software goes to ensure that it has been rigorously tested and debugged for its intended use. Validation confirms that said software accurately models and represents the real world system. Credibility gives an assessment of the development and testing effort that the software has gone through as well as how accurate and reliable test results are. Together, these three components form Verification, Validation, and Credibility(VV&C), the process by which all NASA modeling software is to be tested to ensure that it is ready for implementation. NASA created this process following the CAIB (Columbia Accident Investigation Board) report seeking to understand the reasons the Columbia space shuttle failed during reentry. The reports conclusion was that the accident was fully avoidable, however, among other issues, the necessary data to make an informed decision was not there and the result was complete loss of the shuttle and crew. In an effort to mitigate this problem, NASA put out their Standard for Models and Simulations, currently in version NASA-STD-7009A, in which they detailed their recommendations, requirements and rationale for the different components of VV&C. They did this with the intention that it would allow for people receiving MS software to clearly understand and have data from the past development effort. This in turn would allow the people who had not worked with the MS software before to move forward with greater confidence and efficiency in their work. This particular project looks to perform Verification on several MATLAB (Registered Trademark)(The MathWorks, Inc.) scripts that will be later implemented in a website interface. It seeks to take note and define the limits of operation, the units and significance, and the expected datatype and format of the inputs and outputs of each of the scripts. This is intended to prevent the code from attempting to make incorrect or impossible calculations. Additionally, this project will look at the coding generally and note inconsistencies, redundancies, and other aspects that may become problematic or slow down the codes run time. Certain scripts lacking in documentation also will be commented and cataloged.

validation

MESA: Message-Based System Analysis Using Runtime Verification

In this paper, we present a novel approach and framework for run-time verication of large, safety critical messaging systems. This work was motivated by verifying the System Wide Information Management (SWIM) project of the Federal Aviation Administration (FAA). SWIM provides live air traffic, site and weather data streams for the whole National Airspace System (NAS), which can easily amount to several hundred messages per second. Such safety critical systems cannot be instrumented, therefore, verification and monitoring has to happen using a nonintrusive approach, by connecting to a variety of network interfaces. Due to a large number of potential properties to check, the verification framework needs to support efficient formulation of properties with a suitable Domain Specific Language (DSL). Our approach is to utilize a distributed system that is geared towards connectivity and scalability and interface it at the message queue level to a powerful verification engine. We implemented our approach in the tool called MESA: Message-Based System Analysis, which leverages the open source projects RACE (Runtime for Airspace Concept Evaluation) and TraceContract. RACE is a platform for instantiating and running highly concurrent and distributed systems and enables connectivity to SWIM and scalability. TraceContract is a runtime verication tool that allows for checking traces against properties specified in a powerful DSL. We applied our approach to verify a SWIM service against several requirements.We found errors such as duplicate and out-of-order messages.

Message-based System

Thermal Protection for Mars Sample Return Earth Entry Vehicle: A Grand Challenge for Design Methodology and Reliability Verification

Mars Sample Return is our Grand Challenge for the coming decade. TPS (Thermal Protection System) nominal performance is not the key challenge. The main difficulty for designers is the need to verify unprecedented reliability for the entry system: current guidelines for prevention of backward contamination require that the probability of spores larger than 1 micron diameter escaping into the Earth environment be lower than 1 million for the entire system, and the allocation to TPS would be more stringent than that. For reference, the reliability allocation for Orion TPS is closer to 11000, and the demonstrated reliability for previous human Earth return systems was closer to 1100. Improving reliability by more than 3 orders of magnitude is a grand challenge indeed. The TPS community must embrace the possibility of new architectures that are focused on reliability above thermal performance and mass efficiency. MSR (Mars Sample Return) EEV (Earth Entry Vehicle) will be hit with MMOD (Micrometeoroid and Orbital Debris) prior to reentry. A chute-less aero-shell design which allows for self-righting shape was baselined in prior MSR studies, with the assumption that a passive system will maximize EEV robustness. Hence the aero-shell along with the TPS has to take ground impact and not break apart. System verification will require testing to establish ablative performance and thermal failure but also testing of damage from MMOD, and structural performance at ground impact. Mission requirements will demand analysis, testing and verification that are focused on establishing reliability of the design. In this proposed talk, we will focus on the grand challenge of MSR EEV TPS and the need for innovative approaches to address challenges in modeling, testing, manufacturing and verification.

Design and Verification for Reliability

Verification and Validation of Safety-Critical Aircraft Systems Operating under Off-Nominal, Contingency, and Emergency Conditions

Verification and validation (V&V) of safety-critical technologies developed for loss of control (LOC) prevention and recovery and other aviation safety concerns pose significant challenges. Aircraft LOC can result from a wide spectrum of hazards, often occurring in combination, which cannot be fully replicated during evaluation. Technologies developed for LOC prevention and recovery must therefore be effective under a wide variety of hazardous and uncertain conditions, and the verification and validation of these technologies must provide some measure of assurance that the new vehicle safety technologies do no harm (i.e., that they themselves do not introduce new safety risks). V&V technologies must also enable the identification of system limitations and constraints, as well as enable the identification of safe and unsafe operating conditions (and their boundaries). Additionally, the V&V of complex, increasingly autonomous systems is a fundamental concern. Scalable, reproducible and cost-effective techniques for the assurance of safety critical systems during their design and operation is a key barrier to fielding new systems or updating current systems. Moreover, these techniques need to provide artifacts that enable a comprehensive evidence-based approach to certification. This briefing summarizes research performed under NASA’s Aviation Safety Program and follow-on research for the V&V of safety-critical aircraft system technologies developed for LOC prevention and recovery and increasingly autonomous systems, and for a broad assurance capability in both current and emerging aviation applications. Note that, in this briefing, the term “validation” refers to a confirmation that the system implementation (e.g., algorithms etc.) is performing the intended function(s), as well as an affirmation of effectiveness in these functions. “Verification” refers to a confirmation that the system implementation in the software and hardware meets its (hopefully validated) specifications (e.g., correctly executes algorithms as designed).

Validation

Summary Report Of The FY25 Computational Fluid Dynamics Verification And Validation Exercises In The Advanced Reactor Technologies - Gas-cooled Reactor Program

Verification and Validation (V&V) of numerical tools is critical for ensuring reasonable predictions during design, safety analysis, and licensing. Recent work in the Advanced Reactor Technologies - Gas-cooled Reactor (ART-GCR) program has focused on V&V of common Computational Fluid Dynamics (CFD) tools that are used within the Untied States. This report presents an update on these CFD V&V activities. These Generation IV Forum (GIF) Very High Temperature Reactor (VHTR) Computational Methods, Validation, and Benchmarking (CMVB) is an international organization dedicated to the verification and validation of High Temperature Gas-Cooled Reactor (HTGR) simulation tools. Participation in the CMVB provides additional value to the V&V activities, as it allows for access to a wider range of data, and provides valuable benchmarking exercises. Three HTGR phenomena are targeted: Reactor Cavity Cooling System (RCCS) performance, core bypass flow, and lower plenum mixing. Simulations of the University of Wisconsin-Madison (UW-Madison) RCCS facilities are performed with Reynolds Averaged Navier-Stokes (RANS) in StarCCM+. Results are compared for both forced and natural convection conditions, with both exhibiting good agreement with experimental measurements. The Idaho National Laboratory (INL) matched index of refraction (MIR) and Korean Atomic Energy Research Institute (KAERI) bypass flow expeirments are used to validation CFD predictions of bypass flow. Simulations are performed with RANS in StarCCM+ and with Large Eddy Simulation (LES) in NekRS. Finally, preliminary simulations of the Institute of Nuclear and New Energy Technology (INET) lower plenum mixing facilities are presented. Initial work has developed models with LES, RANS, and porous media models. These preliminary models are presented and compared to each other to gauge differences in predictions with each of the three methods.

and Benchmarking (CMVB)

Using a Large Language Model as a Building Block to Generate Usable Validation and Verification Suite for OpenMP

In the HPC area, both hardware and software move quickly. Often new hardware is developed and deployed, the corresponding software stack, including compilers and other tools, are under active development while leading edge software developers are working to port and tune their applications, all at the same time. While the software ecosystem is in flux, one of the key challenges for users is obtaining insight into the state of implementation of key features in the programming languages and models their applications are using – whether they have been implemented, and whether the implementation conforms to the specification, especially for newly implemented features (less tested by widespread use). OpenMP is one of the most prominent shared memory programming models used for on-node programming in HPC. With the shift towards accelerators (such as GPUs and FPGAs) and heterogeneous programming OpenMP features are getting more complex. It is natural to ask whether generative AI approaches, and large language models (LLMs) in particular, can help in producing validation and verification test suites to allow users better and faster insights into the availability and correctness of OpenMP features of interest. In this work, we explore the use of ChatGPT-4 to generate a suite of tests for OpenMP features. We have chosen a set of directives and clauses, a total of 78 combinations, which first appeared in OpenMP 3.0 (released in May 2008) but are also relevant for accelerators. We prompted ChatGPT to generate tests in the C and Fortran languages, for both host (CPU) and device (accelerator). On the Summit super-computer using the GNU implementation, we found that, of the 78 generated tests 67 C tests and 43 Fortran tests compiled successfully and fewer than those executed to completion. On further analysis we show that not all generated tests are valid. We document the process, results, and provide detailed analysis regarding the quality of tests generated. With the aim of providing input to a production quality validation and verification suite, we manually implement the corrections required to make the tests valid according to the current OpenMP specification. We quantify this effort as small, medium, or large, and record the lines of code changed to correct the invalid tests. With the corrected tests we validate recent implementations from HPE, AMD, and GNU on the Frontier supercomputer. Our experiment and subsequent analysis show that although LLMs are capable of producing HPC specific codes, they are limited by their understanding of the deeper semantics and restrictions of programming models such as OpenMP. Unsurprisingly more commonly used features have better support, while some OpenMP 3.0 directives such as sections and tasking are not universally supported on accelerators. We demonstrate that successful compilation and execution to completion are inadequate metrics for evaluating generated code and that, at this time, commodity LLMs require expert intervention for code verification. This points to gaps in the training data that is currently available for HPC. We demonstrate that with "small" effort 37% of generated invalid C tests and 63% of generated invalid Fortran tests could be corrected. This improves productivity of test generation as we circumvent writing from scratch and the common programming errors associated with it.

Pophale, Swaroop [ORNL] (ORCID:0000000185446367)

Calibration verification for stochastic agent-based disease spread models

Accurate disease spread modeling is crucial for identifying the severity of outbreaks and planning effective mitigation efforts. To be reliable when applied to new outbreaks, model calibration techniques must be robust. However, current methods frequently forgo calibration verification (a stand-alone process evaluating the calibration procedure) and instead use overall model validation (a process comparing calibrated model results to data) to check calibration processes, which may conceal errors in calibration. In this work, we develop a stochastic agent-based disease spread model to act as a testing environment as we test two calibration methods using simulation-based calibration, which is a synthetic data calibration verification method. The first calibration method is a Bayesian inference approach using an empirically-constructed likelihood and Markov chain Monte Carlo (MCMC) sampling, while the second method is a likelihood-free approach using approximate Bayesian computation (ABC). Simulation-based calibration suggests that there are challenges with the empirical likelihood calculation used in the first calibration method in this context. These issues are alleviated in the ABC approach. Despite these challenges, we note that the first calibration method performs well in a synthetic data model validation test similar to those common in disease spread modeling literature. We conclude that stand-alone calibration verification using synthetic data may benefit epidemiological researchers in identifying model calibration challenges that may be difficult to identify with other commonly used model validation techniques.

60 APPLIED LIFE SCIENCES

Income Verification Strategies for Income-Based Solar Programs

The Inflation Reduction Act has created substantial new programs that support adoption of solar power by low-income households, including the $7 billion Solar For All program and the Low-Income Communities Bonus Credit Program, which increases the investment tax credit for certain types of deployment. In addition, a growing number of states are using solar programs to reduce energy burdens and create energy justice opportunities for low-income households and disadvantaged communities. Verifying the income of participating customers is an important component of these programs. Program managers are seeking strategies to verify a large number of subscribing customers in an accurate, timely, and cost-efficient manner. To help inform program managers, Berkeley Lab investigated how a number of energy and non-energy programs manage income verification. The most common approach is to require proof through tax documents, pay stubs, or other formal income documentation, which can pose an impediment to enrolling eligible customers and create a paperwork burden for administrators. In order to reduce the burden for both the applicant and the program manager, some programs use alternative methods. We identify three common alternative verification methods: -Categorical eligibility: Customers enrolled in other, similar income-verified assistance programs are automatically eligible for enrollment in other income-qualified programs. -Geographic eligibility: Eligibility is based on the customer’s location within a specified area, typically a low-income or disadvantaged community or census tract, and; -“Self-attestation”: The participant claims eligibility with or without further documentation. We describe these options, their pros and cons, give examples of how they are used, and explore how some low-income programs address administrative issues, audits, or other quality control measures. Finally, we explore the risk of mistaken verifications (finding a participant eligible when they are not) in the different strategies. While this memo was initiated by a request relating to income-based community solar programs, the methods are applicable to any program with income eligibility requirements in the energy or non-energy sector. Funding was provided for this research by the Solar Energy Technologies Office of the US Department of Energy, through the National Community Solar Partnership.

14 SOLAR ENERGY

Verification of the ENDF/B-VII.1 Based MC 2 -3 Library Rev.1

The MC 2 -3 code, developed by Argonne National Laboratory under the DOE-NE NEAMS program, is a multigroup cross section generation code for fast reactor applications. Last year, the ENDF/B-VII.0 (E70) MC 2 -3 library, which has been extensively used, verified, and validated over a long period, was intensively reverified and updated to support the commercial grade dedication (CGD) requirement of the TerraPower Natrium project. This year, the ENDF/B-VII.1 (E71) MC 2 -3 library, the preliminary version of which was generated several years ago, was regenerated and rigorously verified to support the Natrium project as well as the completion of verification of the E71 library. The E71 library was verified using the process developed during the verification of the E70 library, including comparisons of cross sections with the NJOY-generated cross sections, comparisons of the resolved resonance cross sections with those using the PEDNF library, and comparison of total cross sections with the sum of partial cross sections. Additional verifications were conducted to ensure that the benchmark problem solutions with the E71 library are reasonable compared to the corresponding Monte Carlo solutions. Furthermore, the E71 gamma library was generated, which includes data for prompt gamma, delayed gamma, and delayed beta as well as neutron and gamma heating. The gamma library was verified at the level of individual isotopes. The EBR-II core solutions from MC 2 -3/ DIF3D and MCNP were compared, demonstrating that those solutions in terms of k-effective and assembly powers were in good agreement.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Addendum to SAND2023-09604 Xyce lumped-element transmission line model verification to support Empire-Cable cable SGEMP analyses

This report supplements the Verification of Empire-Cable SAND report by expanding on the use of Xyce to simulate the coupling to a transmission line cable model. While Empire-Cable solves its governing equations on a high-order, finite-element mesh with an an implicit-in-time formulation, Xyce must use a first order graph for the circuit and explicit-in-time approach to be compatible with non-linear electrical device models. Thus, given the different solution methodologies in Xyce as compared to Empire-Cable, the convergence rates are expected to be different but the overall quality of the solution should be the same. The original four canonical problems studied in the Empire-Cable verification report are replicated here running in Xyce using transmission line modeling parameters from the verification report. Overall, agreement between the codes is excellent with Xyce’s convergence rates being limited mostly to first order due to the circuit network approximation of a transmission line being a first order approximation.

42 ENGINEERING

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

BlueCRAB Domain Overlapping Coupling: Theory & Verification

Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.

22 - GENERAL STUDIES OF NUCLEAR REACTORS