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At least 739 records · Page 41

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DOE OSTI2020

Verification of local electrostatic gyrokinetic simulation of driftwave instability in field-reversed configuration

Local linear simulations of ion temperature gradient (ITG) instabilities using a gyrokinetic particle code GKD1D have been verified by comparing with the analytic dispersion relation in the slab geometry and by benchmarking with a global gyrokinetic code GTC-X in a realistic field-reversed configuration (FRC). Results of ITG simulations using either adiabatic or kinetic electrons exhibit excellent agreements between the two codes for linear frequencies, growth rates, and mode structures. The ITG modes in the FRC scrape-off layer region are mostly dominated by the poloidal m = 1 harmonic. Kinetic electrons enhance the subdominant m = 2 harmonic and the even parity dominates the ITG mode structure. Kinetic electrons increase the growth rates for the low-n modes, but decrease the growth rates for the high-n modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2011

Systems, methods and apparatus for generation and verification of policies in autonomic computing systems

Described herein is a method that produces fully (mathematically) tractable development of policies for autonomic systems from requirements through to code generation. This method is illustrated through an example showing how user formulated policies can be translated into a formal mode which can then be converted to code. The requirements-based programming method described provides faster, higher quality development and maintenance of autonomic systems based on user formulation of policies.Further, the systems, methods and apparatus described herein provide a way of analyzing policies for autonomic systems and facilities the generation of provably correct implementations automatically, which in turn provides reduced development time, reduced testing requirements, guarantees of correctness of the implementation with respect to the policies specified at the outset, and provides a higher degree of confidence that the policies are both complete and reasonable. The ability to specify the policy for the management of a system and then automatically generate an equivalent implementation greatly improves the quality of software, the survivability of future missions, in particular when the system will operate untended in very remote environments, and greatly reduces development lead times and costs.

Hinchey, Michael G.↗

DOE OSTI2022

Verification and Validation of Two Hydrodynamic Methods for Simulations of High Energy Density Physics Problems

A 3D verification and validation suite of test problems is presented and used to evaluate hydrodynamic methods within a radiation hydrodynamics code, xRAGE. These test problems exercise different levels of complexity, building towards ICF problems which in addition to hydrodynamics also include three temperature plasma physics, thermal conduction, and radiation diffusion. Among the problems in the test suite are the Kidder ball problem, the Verney shell problem, and a 5-material compression problem, which exercise different purely hydrodynamic methods implemented within xRAGE. There is excellent agreement between 2D and 3D XRAGE simulation results and between the xRAGE results and the benchmark solutions. Two 3D ICF test problems are also presented, based on an OMEGA direct drive capsule experiment and on a NIF indirect drive capsule experiment. It is demonstrated that the newer unsplit hydrodynamic method in xRAGE produces more vorticity relative to the older default method. For the indirect drive capsule, the 3D simulations are in reasonable agreement with the experimental values of ion temperature and neutron production.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Sensitivity Analysis of Irradiated Fueled Experiments using the MOOSE Framework [Slides]

Modeling and simulation (M&S) methods are able to predict uncertainties in experimental parameters (e.g., power and fission density) during irradiation. A shortfall exists in predicting how sensitive some of the parameters will behave during the experimental process. Sensitivity and Uncertainty Quantification (SUQ) is critical in support of qualification and licensing reactor fuels. The application of a method to quantify the uncertainty in these experiments is critical to the prediction of their performance. In this work, we propose the use of a polynomial chaos expansion (PCE) method to quantify the sensitive parameters in these simulations and, in an extension, their experimental surrogates. We propose to perform M&S using PCE uncertainty quantification on a previously irradiated fueled experiment in order to provide a validation case for Griffin and expand its use as a verification and validation (V&V) tool for experiments with a neutronics component. Griffin is an advanced, deterministic neutronics analysis code built using the MOOSE (multiphysics object-oriented simulation environment) framework which can provide state-of-the-art neutronic analysis on M&S of experiments. We will use the stochastic tools module (STM) in MOOSE to provide PCE uncertainty quantification on the proposed experimental setup. Idaho National Laboratory (INL) does not yet have an in-house developed code with V&V approval for experiments performed on-site; this work would provide a necessary addition of support for experiments performed at INL. The Nuclear Regulatory Commission (NRC) has explicitly requested uncertainties in calculated values such as fuel power and burnup, and the development of this capability would benefit the relationship between INL and the NRC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1987

A detailed description of the uncertainty analysis for High Area Ratio Rocket Nozzle tests at the NASA Lewis Research Center

A preliminary uncertainty analysis has been performed for the High Area Ratio Rocket Nozzle test program which took place at the altitude test capsule of the Rocket Engine Test Facility at the NASA Lewis Research Center. Results from the study establish the uncertainty of measured and calculated parameters required for the calculation of rocket engine specific impulse. A generalized description of the uncertainty methodology used is provided. Specific equations and a detailed description of the analysis are presented. Verification of the uncertainty analysis model was performed by comparison with results from the experimental program's data reduction code. Final results include an uncertainty for specific impulse of 1.30 percent. The largest contributors to this uncertainty were calibration errors from the test capsule pressure and thrust measurement devices.

Kenneth J. Davidian↗

NASA NTRS1987

A detailed description of the uncertainty analysis for high area ratio rocket nozzle tests at the NASA Lewis Research Center

A preliminary uncertainty analysis was performed for the High Area Ratio Rocket Nozzle test program which took place at the altitude test capsule of the Rocket Engine Test Facility at the NASA Lewis Research Center. Results from the study establish the uncertainty of measured and calculated parameters required for the calculation of rocket engine specific impulse. A generalized description of the uncertainty methodology used is provided. Specific equations and a detailed description of the analysis is presented. Verification of the uncertainty analysis model was performed by comparison with results from the experimental program's data reduction code. Final results include an uncertainty for specific impulse of 1.30 percent. The largest contributors to this uncertainty were calibration errors from the test capsule pressure and thrust measurement devices.

Davidian, Kenneth J.↗

DOE OSTI2026

Verification of global gyrokinetic simulation of low frequency mode excited by thermal plasma in spherical tokamak

A low frequency Alfven eigenmode in the ST40 spherical tokamak (ST) is found to be resonantly excited by thermal ions from global gyrokinetic GTC simulations. The analyses of phase-space resonances and wave-particle energy exchanges show that the Beta-induced Alfvén-Acoustic Eigenmode (BAAE) is primarily driven unstable by thermal ions, but is stabilized by energetic particles (EPs). When all kinetic effects are artificially suppressed, GTC simulations in the ideal magnetohydrodynamic (MHD) limit confirm the existence of the MHD eigenmode with a frequency in the BAAEs gap, as previously found by the ideal MHD code NOVA. The kinetic effects of thermal ions induce a frequency downshift compared to the stable BAAE in the MHD simulations. These results support the verification for global gyrokinetic simulations of the BAAE in the ST. However, the simulations do not explain the experimental observations of the BAAE in the ST40, possibly owing to the limitation of the collisionless gyrokinetic Monte Carlo model for the EPs.

Alfvén eigenmode↗

DOE OSTI2025

A Computational Tool Compatible with NEAMS Code Packages for Optimizing the Shape of Nuclear Reactor Components and of Whole Core Performance

We designed and implemented a shape optimization tool that functions with NEAMS codes, and that nuclear scientists and engineers can employ to optimize the shape of individual components and the whole core under the applicable single- or multi-physics model comprising the employed code(s). The shape-optimization tool enables varying the geometric shape itself as well as its dimensions to yield, potentially, new component designs that are not limited by the designer’s intuition and previous experience. In cases where the optimal-shape object is an individual component, we provide the capability for additional verification that the whole-core performance using the optimized component performs better, under the prescribed optimization criteria, than the initial design. Our shape-optimization tool couples to NEAMS codes via a flexible input- composer interface and enables the user to constrain the shape’s evolution to ensure the component’s manufacturability. Finally, we demonstrate our shape-optimization tool with single- and multi-physics NEAMS codes. This objective is motivated by the recent advances in manufacturing technology that, combined with rising interest in novel reactor concepts, are creating new opportunities for innovation in the design of individual components that affect the performance of the full reactor system. In particular, Additive Manufacturing (AM) enables mass production of highly precise, intricate and complex component shapes that are not feasible with traditional manufacturing techniques. To accomplish this goal we developed and implemented in MOOSE: (1) discrete shape optimization capability based on a state-space search that uses Artificial Intelligence strategies to find the optimal state/shape; (2) smooth shape optimization tool that employs PETSc’s toolkit for advanced optimization (TAO) to optimize node-displacement of the components’ model sidesets; (3) hierarchical core optimization workflow that recognizes the repeating patterns typical in a nuclear reactor and performs the optimization one level at a time with increasing length scale. Each of these tools is equipped with user-specified constraints to avoid optimal shapes that are not manufacturable. The developed shape optimization tool is verified and demonstrated on various nuclear reactor core components and models. The optimization process accounts for tightly coupled physics that govern the behavior of these target reactors, and exercises several NEAMS codes in a coupled multiphysics fashion. The impact of the delivered shape optimization tool will materialize in the optimal design, from the outset, of advanced reactors currently contemplated to regain the US’s leadership in nuclear energy R&D. Novel reactor concepts, e.g. Molten Salt Reactors, and sizes/capacities, e.g. micro- reactors, provide a unique opportunity to optimize performance from the early stages of development, before the investment in components’ production lines, validation experiments, and licensing regimes make future improvements in performance prohibitively expensive and force sub-optimal performance on the affected reactor concept in perpetuity. This benefit will be realized by the delivered shape optimization tool regardless of the applicable manufacturing process whether traditional or AM, thereby broadening the impact of this project on current and future reactor concepts and technologies

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Small-scale validation tests for MFIX-Exa CFD-DEM

This report describes several bench-scale fluidization experiments that can be used to validate the CFD-DEM method as encapsulated in the MFIX-Exa code. The five cases considered are the cold-flow fluidized beds of Müller et al., Link et al. (spout-fluid), and Goldschmidt et al. (bi-disperse), the hot fluidized bed of Patil et al., and the adsorbing fluidized bed of Li et al. and Janssen. In most cases, MFIX-Exa with “standard” or “typical” CFD-DEM settings, the Gidaspow drag model, and the Gunn heat transfer provide a relatively good prediction of the quantities considered: mean void fraction profiles, mean velocity profiles, fluctuating velocity profiles, mean particle temperature and segregation index. These results, with other verification and validation tests reported elsewhere, contribute to a body of work providing confidence and credibility in CFD predictions from the MFIX-Exa code.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

PeleMP: The Multiphysics Solver for the Combustion Pele Adaptive Mesh Refinement Code Suite

Combustion encompasses multiscale, multiphase reacting flow physics spanning a wide range of scales from the molecular scales, where chemical reactions occur, to the device scales, where the turbulent flow is affected by the geometry of the combustor. This scale disparity and the limited measurement capabilities from experiments make modeling combustion a significant challenge. Recent advancements in high-performance computing (HPC), particularly with the Department of Energy's Exascale Computing Project (ECP), have enabled high-fidelity simulations of practical applications to be performed. The major physics submodels, including chemical reactions, turbulence, sprays, soot, and thermal radiation, exhibit distinctive computational characteristics that need to be examined separately to ensure efficient utilization of computational resources. This paper presents the multiphysics solver for the Pele code suite, called PeleMP, which consists of models for spray, soot, and thermal radiation. Here, the mathematical and algorithmic aspects of the model implementations are described in detail as well as the verification process. The computational performance of these models is benchmarked on multiple supercomputers, including Frontier, an exascale machine. Results are presented from production simulations of a turbulent sooting ethylene flame and a bluff-body swirl stabilized spray flame with sustainable aviation fuels to demonstrate the capability of the Pele codes for modeling practical combustion problems with multiphysics. This work is an important step toward the exascale computing era for high-fidelity combustion simulations providing physical insights and data for predictive modeling of real-world devices.

42 ENGINEERING↗

DOE OSTI2020

Multi-species collisions for delta-f gyrokinetic simulations: Implementation and verification with GENE

we report a multi-species linearized collision operator based on the model developed by Sugama et al. has been implemented in the nonlinear gyrokinetic code, GENE. Such a model conserves particles, momentum, and energy to machine precision, and is shown to have negative definite free energy dissipation characteristics, satisfying Boltzmann’s H-theorem, including for realistic mass ratio. Finite Larmor Radius (FLR) effects have also been implemented into the local version of the code. For the global version of the code, the collision operator has been developed to allow for block-structured velocity space grids, allowing for computationally tractable collisional global simulations. The validity of the collision operator has been demonstrated by relaxation and conservation tests, as well as appropriate benchmarks. The newly implemented operator shall be used in future simulations to study magnetically confined fusion plasma turbulence and transport in more extreme regions with higher collisionality.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Data Analysis of Energy Code Compliance in Commercial Buildings

What percent of newly constructed commercial buildings comply with the energy code? How much energy and cost could be saved if the compliance increased? Which code requirements have both low compliance rates and high savings potential? These are the questions U.S. Department of Energy (DOE) is trying to answer through its Commercial Energy Code Field Study. Previous commercial studies have been very limited and did not result in a widely accepted and tested methodology. DOE’s goal is to create a standardized methodology that can produce actionable results at a reasonable study cost, that can be used by state and local governments and utilities and provides valuable information to policy makers. The field study team implemented the pilot methodology, compiling a data set of 230 office and retail buildings in two climate zones. The approach is based on identifying lost savings on a total energy cost basis rather than simply counting the quantity of measures that do not meet code. This report is focused on the analysis of the collected data. The primary goal was to analyze the data collected during the field study and determine the actual energy cost impact of each measure in a non-compliance situation. The energy impact results allowed for ranking the measures to identify which have the highest potential for lost savings. These results combined with the time required to verify each measure will allow future compliance verification to focus on measures that had a large impact on energy use over the life of the building and those that have the greatest savings recovery potential per verification hour.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

An Open-Source Python Package for CFD Solution Verification

Informed decision-making using computational fluid dynamics (CFD) results requires quantifying the errors and uncertainties of a simulation. Verification, validation, and uncertainty quantification (VVUQ) methods were developed to address this need and have matured. However, these VVUQ analyses are often non-trivial and require CFD analysts and practitioners to have specific skill sets. This has led to the uneven adoption of VVUQ analyses, in part, based on the availability of software tools to aid CFD analysts and practitioners. Solution verification, a procedure to evaluate the accuracy of a simulation by estimating potential errors arising from the computational model and computing the uncertainties without comparing to results from a physical system, is one of the lagging VVUQ analyses as the absence of software has forced CFD analysts and practitioners to develop their own codes or piece together incomplete software from across the internet. This work presents an opensource Python package, CFDverify, to lower the barrier of entry and fill in the technological gap in solution verification. CFDverify also provides a streamlined framework to remove some potential errors in post-processing CFD results. The hope is that CFDverify can improve the quality and quantity of CFD solution verification in scientific and research studies and attract interest in developing a communal tool. This paper describes the design, features, and an example use of CFDverify.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗

NASA NTRS1986

Evaluation of the infrared test method for the olympus thermal balance tests

The performance of the infrared (IR) rig used for the thermal balance testing of the Olympus S/C thermal model is discussed. Included in this evaluation are the rig effects themselves, the IRFLUX computer code used to predict the radiation inputs, the Monitored Background Radiometers (MBR's) developed to measure the absorbed radiation flux intensity, the Uniform Temperature Reference (UTR) based temperature measurement system and the data acquisition system. A preliminary set of verification tests were performed on a 1 m x 1 m zone to assess the performance of the IR lamps, calrods, MBR's and aluminized baffles. The results were used, in part, to obtain some empirical data required for the IRFLUX code. This data included lamp and calrod characteristics, the absorptance function for various surface types, and the baffle reflectivities.

Donato, M.↗

DOE OSTI2024

Divertor heat load estimates on NSTX and DIII-D using new and open-source 2D inversion analysis code

A thermography inversion algorithm has been developed in the open-source Python-based computer code, HYPERION, to calculate the heat flux incident on plasma-facing components (PFCs) in axisymmetric tokamaks. The chosen mesh size at the surface significantly affects the calculated transient heat flux results. The calculated transient heat flux will exceed the real value when the mesh size tends to zero but will underestimate the real value when the mesh size is large. A criterion for determining the appropriate mesh size for the transient heat flux calculation will be discussed. The numerical scheme for HYPERION uses a 2D fully implicit finite-difference approach, allowing temperature-dependent thermal properties of PFC materials. The inversion algorithm is benchmarked against established heat flux calculation codes, TACO and THEODOR, based on thermography data from NSTX and DIII-D respectively. The primary benefits of HYPERION compared to TACO and THEODOR are that it is open-source and it allows for the optimization of mesh thickness along the substrate. The algorithm also accounts for the thermal properties of thin surface layers that characteristically form on PFCs due to plasma-material interactions. The agreement between HYPERION and THEODOR is excellent, as the percent difference between the codes is ~5% on average in the case of the DIII-D data for moderate to high heat flux. Verification tests with TACO show slightly higher average percent differences of 8% and 12%. In using HYPERION to study filaments in heat flux, the initial results indicate that small ELMs filaments significantly broaden the divertor heat flux, and decrease divertor peak flux. Compared to the inter-ELM, the small ELM filaments decrease the divertor peak surface temperature. With intermittent divertor filaments, the divertor heat flux width is comparable with that found in L-mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Application Results on Early Exascale Hardware

This Exascale Computing Project (ECP) milestone report summarizes the status of 27 of the 31 ECP Applications Development (AD) subprojects at the end of FY21. In November and December of 2021, a comprehensive assessment of AD projects was conducted by the ECP leadership along with external subject matter experts (SMEs). (NNSA application projects are reviewed separately using the ASC milestone process.) The AD review committee—consisting of the AD lead, AD deputy, Level 3 (L3), and at least one external project SME—was tasked with evaluating each project’s progress relative to ECP project goals specified in the FY21 timeline. Key areas of focus were code maturity and performance on pre-exascale systems, an in-depth analysis of final key performance parameter (KPP) verification contracts, and future R&D priorities in the final year of ECP and beyond. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents a broad account of successes and challenges in porting large scientific applications to DOE’s next-generation high-performance computing architectures – the Frontier and Aurora systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Requirements Description of GAMSOR and GAMSRC

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s GAMSOR and GAMSRC code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of verification tasks necessary to verify GAMSOR for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The GAMSOR program is a modified version of DIF3D used to obtain the coupled neutron gamma flux distributions for a given reactor system. GAMSOR was first developed in the 1980s and its work has progressed in parallel with DIF3D throughout its various development phases. While GAMSOR is compatible with DIF3D-FD and DIF3D-Nodal, DIF3D-VARIANT is most commonly used today and will be the focus of the present verification effort. As covered in [1], GAMSOR was built to provide more accurate heating distributions by explicitly solving for both the gamma and neutron heating distributions. Without this consideration, gamma heat is normally assumed to be deposited locally at the site of gamma production. This is acceptable for modeling some phenomena because the total energy production is preserved, but it can lead to inaccurate approximations of fluence-dependent behaviors such as fuel performance, swelling, cladding embrittlement, radiation induced creep, and power peaking. The outputs from GAMSOR are contained in multiple intermediate and final output files: FIXSRC, VARSRC, GTFLUX, GHFLUX, PWDINT, NPDINT, and GPDINT. DIF3D normally produces a PWDINT file containing power density results, with the assumption that gamma rays are absorbed where they are emitted (i.e., energy deposition is local with no modeled transport). With GAMSOR, neutron power density (NPDINT) and gamma power density (GPDINT) are both produced, with their summed power densities replacing the results in PWDINT for total heating (i.e., recoverable) power density.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1995

Microcracking in composite laminates under thermal and mechanical loading

Composites used in space structures are exposed to both extremes in temperature and applied mechanical loads. Cracks in the matrix form, changing the laminate thermoelastic properties. The goal of the present investigation is to develop a predictive methodology to quantify microcracking in general composite laminates under both thermal and mechanical loading. This objective is successfully met through a combination of analytical modeling and experimental investigation. In the analysis, the stress and displacement distributions in the vicinity of a crack are determined using a shear lag model. These are incorporated into an energy based cracking criterion to determine the favorability of crack formation. A progressive damage algorithm allows the inclusion of material softening effects and temperature-dependent material properties. The analysis is implemented by a computer code which gives predicted crack density and degraded laminate properties as functions of any thermomechanical load history. Extensive experimentation provides verification of the analysis. AS4/3501-6 graphite/epoxy laminates are manufactured with three different layups to investigate ply thickness and orientation effects. Thermal specimens are cooled to progressively lower temperatures down to -184 C. After conditioning the specimens to each temperature, cracks are counted on their edges using optical microscopy and in their interiors by sanding to incremental depths. Tensile coupons are loaded monotonically to progressively higher loads until failure. Cracks are counted on the coupon edges after each loading. A data fit to all available results provides input parameters for the analysis and shows them to be material properties, independent of geometry and loading. Correlation between experiment and analysis is generally very good under both thermal and mechanical loading, showing the methodology to be a powerful, unified tool. Delayed crack initiation observed in a few cases is attributed to a lack of preexisting flaws assumed by the analysis. Some interactions between adjacent ply groups are attributed to local stress concentrations. These two effects are not captured by the analysis due to its global nature. The analysis is conservative in these cases and agrees well with data after the observed onset of cracking.

Maddocks, Jason R.↗