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NASA NTRS1993

A flux-limited treatment for the conductive evaporation of spherical interstellar gas clouds

In this work, we present and analyze a new analytic solution for the saturated (flux-limited) thermal evaporation of a spherical cloud. This work is distinguished from earlier analytic studies by allowing the thermal conductivity to change continuously from a diffusive to a saturated form, in a manner usually employed only in numerical calculations. This closed form solution will be of interest as a computational benchmark. Using our calculated temperature profiles and mass-loss rates, we model the thermal evaporation of such a cloud under typical interstellar medium (ISM) conditions, with some restrictions. We examine the ionization structure of the cloud-ISM interface and evaluate column densities of carbon, nitrogen, oxygen, neon, and silicon ions toward the cloud. In accord with other investigations, we find that ionization equilibrium is far from satisfied under the assumed conditions. Since the inclusion of saturation effects in the heat flux narrows the thermal interface relative to its classical structure, we also find that saturation effects tend to lower predicted column densities.

Dalton, William W.↗

NASA NTRS1990

Spaceborne autonomous multiprocessor systems

The goal of this task is to provide technology for the specification and integration of advanced processors into the Space Station Freedom data management system environment through computer performance measurement tools, simulators, and an extended testbed facility. The approach focuses on five categories: (1) user requirements--determine the suitability of existing computer technologies and systems for real-time requirements of NASA missions; (2) system performance analysis--characterize the effects of languages, architectures, and commercially available hardware on real-time benchmarks; (3) system architecture--expand NASA's capability to solve problems with integrated numeric and symbolic requirements using advanced multiprocessor architectures; (4) parallel Ada technology--extend Ada software technology to utilize parallel architectures more efficiently; and (5) testbed--extend in-house testbed to support system performance and system analysis studies.

Fernquist, Alan↗

NASA NTRS2003

Evaluation of Cache-based Superscalar and Cacheless Vector Architectures for Scientific Computations

The growing gap between sustained and peak performance for scientific applications has become a well-known problem in high performance computing. The recent development of parallel vector systems offers the potential to bridge this gap for a significant number of computational science codes and deliver a substantial increase in computing capabilities. This paper examines the intranode performance of the NEC SX6 vector processor and the cache-based IBM Power3/4 superscalar architectures across a number of key scientific computing areas. First, we present the performance of a microbenchmark suite that examines a full spectrum of low-level machine characteristics. Next, we study the behavior of the NAS Parallel Benchmarks using some simple optimizations. Finally, we evaluate the perfor- mance of several numerical codes from key scientific computing domains. Overall results demonstrate that the SX6 achieves high performance on a large fraction of our application suite and in many cases significantly outperforms the RISC-based architectures. However, certain classes of applications are not easily amenable to vectorization and would likely require extensive reengineering of both algorithm and implementation to utilize the SX6 effectively.

Oliker, Leonid↗

NASA NTRS2017

Sensitivity Analysis of Multidisciplinary Rotorcraft Simulations

A multidisciplinary sensitivity analysis of rotorcraft simulations involving tightly coupled high-fidelity computational fluid dynamics and comprehensive analysis solvers is presented and evaluated. An unstructured sensitivity-enabled Navier-Stokes solver, FUN3D, and a nonlinear flexible multibody dynamics solver, DYMORE, are coupled to predict the aerodynamic loads and structural responses of helicopter rotor blades. A discretely-consistent adjoint-based sensitivity analysis available in FUN3D provides sensitivities arising from unsteady turbulent flows and unstructured dynamic overset meshes, while a complex-variable approach is used to compute DYMORE structural sensitivities with respect to aerodynamic loads. The multidisciplinary sensitivity analysis is conducted through integrating the sensitivity components from each discipline of the coupled system. Numerical results verify accuracy of the FUN3D/DYMORE system by conducting simulations for a benchmark rotorcraft test model and comparing solutions with established analyses and experimental data. Complex-variable implementation of sensitivity analysis of DYMORE and the coupled FUN3D/DYMORE system is verified by comparing with real-valued analysis and sensitivities. Correctness of adjoint formulations for FUN3D/DYMORE interfaces is verified by comparing adjoint-based and complex-variable sensitivities. Finally, sensitivities of the lift and drag functions obtained by complex-variable FUN3D/DYMORE simulations are compared with sensitivities computed by the multidisciplinary sensitivity analysis, which couples adjoint-based flow and grid sensitivities of FUN3D and FUN3D/DYMORE interfaces with complex-variable sensitivities of DYMORE structural responses.

Wang, Li↗

DOE OSTI2013

A 2D/1D coupling neutron transport method based on the matrix MOC and NEM methods

A new 2D/1D coupling method based on the matrix MOC method (MMOC) and nodal expansion method (NEM) is proposed for solving the three-dimensional heterogeneous neutron transport problem. The MMOC method, used for radial two-dimensional calculation, constructs a response matrix between source and flux with only one sweep and then solves the linear system by using the restarted GMRES algorithm instead of the traditional trajectory sweeping process during within-group iteration for angular flux update. Long characteristics are generated by using the customization of commercial software AutoCAD. A one-dimensional diffusion calculation is carried out in the axial direction by employing the NEM method. The 2D and ID solutions are coupled through the transverse leakage items. The 3D CMFD method is used to ensure the global neutron balance and adjust the different convergence properties of the radial and axial solvers. A computational code is developed based on these theories. Two benchmarks are calculated to verify the coupling method and the code. It is observed that the corresponding numerical results agree well with references, which indicates that the new method is capable of solving the 3D heterogeneous neutron transport problem directly. (authors)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

New density estimation methods for charged particle beams with applications to microbunching instability

Not Available

Terzić, Balša↗

NASA NTRS1995

Comparative study of numerical schemes of TVD3, UNO3-ACM and optimized compact scheme

Three different schemes are employed to solve the benchmark problem. The first one is a conventional TVD-MUSCL (Monotone Upwind Schemes for Conservation Laws) scheme. The second scheme is a UNO3-ACM (Uniformly Non-Oscillatory Artificial Compression Method) scheme. The third scheme is an optimized compact finite difference scheme modified by us: the 4th order Runge Kutta time stepping, the 4th order pentadiagonal compact spatial discretization with the maximum resolution characteristics. The problems of category 1 are solved by using the second (UNO3-ACM) and third (Optimized Compact) schemes. The problems of category 2 are solved by using the first (TVD3) and second (UNO3-ACM) schemes. The problem of category 5 is solved by using the first (TVD3) scheme. It can be concluded from the present calculations that the Optimized Compact scheme and the UN03-ACM show good resolutions for category 1 and category 2 respectively.

Lee, Duck-Joo↗

NASA NTRS1983

Modeling of turbulent separated flows for aerodynamic applications

Steady, high speed, compressible separated flows modeled through numerical simulations resulting from solutions of the mass-averaged Navier-Stokes equations are reviewed. Emphasis is placed on benchmark flows that represent simplified (but realistic) aerodynamic phenomena. These include impinging shock waves, compression corners, glancing shock waves, trailing edge regions, and supersonic high angle of attack flows. A critical assessment of modeling capabilities is provided by comparing the numerical simulations with experiment. The importance of combining experiment, numerical algorithm, grid, and turbulence model to effectively develop this potentially powerful simulation technique is stressed.

Marvin, J. G.↗

NASA NTRS1986

Modeling of turbulent separated flows for aerodynamic applications

Marvin, J. G.↗

NASA NTRS1997

Numerical Study of Magnetic Damping During Unidirectional Solidification

A fully 3-D numerical model is developed to represent magnetic damping of complex fluid flow, heat transfer and electromagnetic field distributions in a melt cavity. The model is developed based on our in-house finite element code for the fluid flow, heat transfer and electromagnetic field calculations. The computer code has been tested against benchmark test problems that are solved by other commercial codes as well as analytical solutions whenever available. The numerical model is tested against numerical and experimental results for water reported in literature. With the model so tested, various numerical simulations are carried out for the Sn-35.5% Pb melt convection and temperature distribution in a cylindrical cavity with and without the presence of a transverse magnetic field. Numerical results show that magnetic damping can be effectively applied to reduce turbulence and flow levels in the melt undergoing solidification and over a certain threshold value a higher magnetic field resulted in a higher velocity reduction. It is found also that for a fully 3-D representation of the magnetic damping effects, the electric field induced in the melt by the applied DC magnetic field does not vanish, as some researchers suggested, and must be included even for molten metal and semiconductors. Also, for the study of the melt flow instability, a long enough time has to be applied to ensure the final fluid flow recirculation pattern. Moreover, our numerical results suggested that there seems to exist a threshold value of applied magnetic field, above which magnetic damping becomes possible and below which the convection in the melt is actually enhanced. Because of the limited financial resource allocated for the project, we are unable to carry out extensive study on this effect, which should warrant further theoretical and experimental study. In that endeavor, the developed numerical model should be very useful; and the model should serve as a useful tool for exploring necessary design parameters for planning magnetic damping experiments and interpreting the experimental results.

Li, Ben Q.↗

NASA NTRS2004

Fourth Computational Aeroacoustics (CAA) Workshop on Benchmark Problems

This publication contains the proceedings of the Fourth Computational Aeroacoustics (CAA) Workshop on Benchmark Problems. In this workshop, as in previous workshops, the problems were devised to gauge the technological advancement of computational techniques to calculate all aspects of sound generation and propagation in air directly from the fundamental governing equations. A variety of benchmark problems have been previously solved ranging from simple geometries with idealized acoustic conditions to test the accuracy and effectiveness of computational algorithms and numerical boundary conditions; to sound radiation from a duct; to gust interaction with a cascade of airfoils; to the sound generated by a separating, turbulent viscous flow. By solving these and similar problems, workshop participants have shown the technical progress from the basic challenges to accurate CAA calculations to the solution of CAA problems of increasing complexity and difficulty. The fourth CAA workshop emphasized the application of CAA methods to the solution of realistic problems. The workshop was held at the Ohio Aerospace Institute in Cleveland, Ohio, on October 20 to 22, 2003. At that time, workshop participants presented their solutions to problems in one or more of five categories. Their solutions are presented in this proceedings along with the comparisons of their solutions to the benchmark solutions or experimental data. The five categories for the benchmark problems were as follows: Category 1:Basic Methods. The numerical computation of sound is affected by, among other issues, the choice of grid used and by the boundary conditions. Category 2:Complex Geometry. The ability to compute the sound in the presence of complex geometric surfaces is important in practical applications of CAA. Category 3:Sound Generation by Interacting With a Gust. The practical application of CAA for computing noise generated by turbomachinery involves the modeling of the noise source mechanism as a vortical gust interacting with an airfoil. Category 4:Sound Transmission and Radiation. Category 5:Sound Generation in Viscous Problems. Sound is generated under certain conditions by a viscous flow as the flow passes an object or a cavity.

Dahl, Milo D.↗

DOE OSTI2024

Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

To address the challenge of performance portability and facilitate the implementation of electronic structure solvers, we developed the basic matrix library (BML) and Parallel, Rapid O(N), and Graph-based Recursive Electronic Structure Solver (PROGRESS) library. The BML implements linear algebra operations necessary for electronic structure kernels using a unified user interface for various matrix formats (dense and sparse) and architectures (CPUs and GPUs). Focusing on density functional theory and tight-binding models, PROGRESS implements several solvers for computing the single-particle density matrix and relies on BML. In this paper, we describe the general strategies used for these implementations on various computer architectures, using OpenMP target functionalities on GPUs, in conjunction with third-party libraries to handle performance critical numerical kernels. In this study, we demonstrate the portability of this approach and its performance in benchmark problems.

36 MATERIALS SCIENCE↗

NASA NTRS1988

Benchmark solutions for the galactic ion transport equations with spatial and energy coupling

In order to anticipate future space shielding requirements, NASA has initiated an effort to formulate computational methods to simulate radiation effects in space. As part of the program, numerical transport algorithms have been developed for the deterministic Boltzman equation describing galactic cosmic ray (GCR) interactions with matter. It thus becomes necessary to assess the accuracy of proposed deterministic algorithms. For this reason, analytical benchmark solutions to mathematically tractable galactic cosmic ray equations have recently been obtained. Even though these problems involve simplifying assumptions of the associated physics, they still contain the essential features of the basic transport processes. The solutions obtained are features of the basic transport processes. The solutions obtained are compared to results from numerical algorithms in order to ensure proper coding and to provide a measure of the accuracy of the numerical methods used in the algorithm. For the first time, mathematical methods have been applied to the galactic ion transport (GIT) equations in the straight ahead approximation with constant nuclear properties. The approach utilizes a Laplace transforms inversion yielding a closed form benchmark solution which is also computationally efficient.

Ganapol, Barry D.↗

DOE OSTI2016

Resolved-particle simulation by the Physalis method: Enhancements and new capabilities

We present enhancements and new capabilities of the Physalis method for simulating disperse multiphase flows using particle-resolved simulation. The current work enhances the previous method by incorporating a new type of pressure-Poisson solver that couples with a new Physalis particle pressure boundary condition scheme and a new particle interior treatment to significantly improve overall numerical efficiency. Further, we implement a more efficient method of calculating the Physalis scalar products and incorporate short-range particle interaction models. We provide validation and benchmarking for the Physalis method against experiments of a sedimenting particle and of normal wall collisions. We conclude with an illustrative simulation of 2048 particles sedimenting in a duct. In the appendix, we present a complete and self-consistent description of the analytical development and numerical methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Principles of Product Quality Control of German Radioactive Waste Forms from the Reprocessing of Spent Fuel: Vitrification, Compaction and Numerical Simulation - 12529

The German product quality control is inter alia responsible for control of two radioactive waste forms of heat generating waste: a) homogeneous vitrified HLW and b) heterogeneous compacted hulls, end-pieces and technological metallic waste. In either case, significantly different metrology is employed at the site of the conditioning plant for the obligatory nuclide inventory declaration. To facilitate an independent evaluation and checking of the accompanying documentation numerical simulations are carried out. The physical and chemical properties of radioactive waste residues are used to assess the data consistency and uncertainty margins, as well as to predict the long-term behavior of the radioactive waste. This is relevant for repository acceptance and safety considerations. Our new numerical approach follows a bottom-up simulation starting from the burn-up behavior of the fuel elements in the reactor core. The output of these burn-up calculations is then coupled with a program that simulates the material separation in the subsequent dissolution and extraction processes normalized to the mass balance. Follow-up simulations of the separated reprocessing lines of a) the vitrification of highly-active liquid and b) the compaction of residual intermediate-active metallic hulls remaining after fuel pellets dissolution, end-pieces and technological waste, allows calculating expectation values for the various repository relevant properties of either waste stream. The principles of the German product quality control of radioactive waste residues from the spent fuel reprocessing have been introduced and explained. Namely, heat generating homogeneous vitrified HLW and heterogeneous compacted metallic MLW have been discussed. The advantages of a complementary numerical property simulation have been made clear and examples of benefits are presented. We have compiled a new program suite to calculate the physical and radio-chemical properties of common nuclear waste residues. The immediate benefit is the independent assessment of radio-active inventory declarations and much facilitated product quality control of waste residues that need to be returned to Germany and submitted to a German HLW-repository requirements. Wherever possible, internationally accepted standard programs are used and embedded. The innovative coupling of burn-up calculations (SCALE) with neutron and gamma transport codes (MCPN-X) allows an application in the world of virtual waste properties. If-then-else scenarios of hypothetical waste material compositions and distributions provide valuable information of long term nuclide property propagation under repository conditions over a very long time span. Benchmarking the program with real residue data demonstrates the power and remarkable accuracy of this numerical approach, boosting the reliability of the confidence aforementioned numerous applications, namely the proof tool set for on-the-spot production quality checking and data evaluation and independent verification. Moreover, using the numerical bottom-up approach helps to avoid the accumulation of fake activities that may gradually build up in a repository from the so-called conservative or penalizing nuclide inventory declarations. The radioactive waste properties and the hydrolytic and chemical stability can be predicted. The interaction with invasive chemicals can be assessed and propagation scenarios can be developed from reliable and sound data and HLW properties. Hence, the appropriate design of a future HLW repository can be based upon predictable and quality assured waste characteristics. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Comprehensive assessment of deep reinforcement learning approaches for economic dispatch in nuclear-driven microgrids

As the electrical grid integrates more variable renewable energy sources such as wind and solar, the demand for distributed and flexible systems to address this increased variability becomes critical. Nuclear-driven microgrids provide a promising solution by offering stable generation to complement intermittent renewables, ensuring grid reliability and operating efficiency. This paper proposes a recurrent deep reinforcement learning framework for optimal economic dispatch in a nuclear-powered microgrid integrating renewable energy sources, small modular reactors, battery storage systems, and balance-of-plant dynamics. A three-agent control architecture is developed, where demand and renewable energy agents act as forecasters, and a reinforcement learning-based dispatch agent performs real-time energy allocation. A nonlinear programming formulation is first used to generate an optimal baseline for benchmarking. The proposed dispatch controller, based on Proximal Policy Optimization enhanced with Long Short-Term Memory networks, exploits temporal correlations in system dynamics by taking advantage of the time series used as inputs to improve policy robustness under uncertainty. Comparative analysis against established deep reinforcement learning methods, including Proximal Policy Optimization with a feedforward architecture, Soft Actor-Critic, and Twin Delayed Deep Deterministic Policy Gradient, demonstrates superior performance. Numerical results indicate that the proposed controller achieves a 0.39% cost reduction relative to the nonlinear programming benchmark and outperforms other learning-based methods by generating additional revenue of up to 0.35%. All reinforcement learning controllers compute dispatch actions in less than 0.3 s, resulting in a computational speedup of more than three orders of magnitude over the nonlinear programming baseline. The findings of this paper highlight their applicability for real-time operation and control in nuclear-integrated microgrids under volatile operating conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Modeling of Macroscopic Dynamics in Three-Dimensional Plasma Configurations (Final Technical Report)

A numerical simulation-based study to investigate the stability properties of inherently three-dimensional plasma magnetic configurations is presented. These configurations, called stellarators and heliotrons, use external helical coils to provide the twisting magnetic field that is required to confine ionized plasma particles. In contrast to the tokamak configuration, which nominally has the property of axisymmetry, electrical current does not need to be induced in stellarator and heliotron plasma. Experiments have shown that these three-dimensional configurations are remarkably robust to macroscopic instability, even when driven to relatively high levels of plasma pressure. Our understanding of how the plasma is able to withstand macroscopic instability will be enhanced by the work proposed here. The effort will generalize existing numerical modeling capability, and it will apply the new capability to model macroscopic dynamics in these three-dimensional configurations. The development work has been applied to the NIMROD simulation code (https://nimrodteam.org) that was originally based on axisymmetric problem domains. It has been generalized to accommodate the three-dimensional shaping of the plasma volume in stellarators and heliotrons. Its use of equilibrium data has also been generalized, and the implementation allows different numerical representation of the magnetic field. Analysis has been performed to inform the selection of numerical methods, and a method to accelerate the iterative solution of the necessary algebraic systems has been developed and implemented. Verification of the new NIMSTELL code on benchmark problems has also been an important part of the effort.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1983

Importance of inlet boundary conditions for numerical simulation of combustor flows

Fluid dynamic computer codes for the mathematical simulation of problems in gas turbine engine combustion systems are required as design and diagnostic tools. To eventually achieve a performance standard with these codes of more than qualitative accuracy it is desirable to use benchmark experiments for validation studies. Typical of the fluid dynamic computer codes being developed for combustor simulations is the TEACH (Teaching Elliptic Axisymmetric Characteristics Heuristically) solution procedure. It is difficult to find suitable experiments which satisfy the present definition of benchmark quality. For the majority of the available experiments there is a lack of information concerning the boundary conditions. A standard TEACH-type numerical technique is applied to a number of test-case experiments. It is found that numerical simulations of gas turbine combustor-relevant flows can be sensitive to the plane at which the calculations start and the spatial distributions of inlet quantities for swirling flows.

Sturgess, G. J.↗