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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Exploring Sensitivity of ICF Outputs to Design Parameters in Experiments Using Machine Learning

We report building a sustainable burn platform in inertial confinement fusion (ICF) requires an understanding of the complex coupling of physical processes and the effects that key experimental design changes have on implosion performance. While simulation codes are used to model ICF implosions, incomplete physics and the need for approximations deteriorate their predictive capability. Identification of relationships between controllable design inputs and measurable outcomes can help guide the future design of experiments and development of simulation codes, which can potentially improve the accuracy of the computational models used to simulate ICF implosions. In this article, we leverage developments in machine learning (ML) and methods for ML feature importance/sensitivity analysis to identify complex relationships in ways that are difficult to process using expert judgment alone. We present work using random forest (RF) regression for prediction of yield, velocity, and other experimental outcomes given a suite of design parameters, along with an assessment of important relationships and uncertainties in the prediction model. We show that RF models are capable of learning and predicting on ICF experimental data with high accuracy, and we extract feature importance metrics that provide insight into the physical significance of different controllable design inputs for various ICF design configurations. These results can be used to augment expert intuition and simulation results for optimal design of future ICF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1974

Cardiovascular model for the simulation of exercise, lower body negative pressure, and tilt experiments

A mathematical model and digital computer simulation of the human cardiovascular system and its controls have been developed to simulate pulsatile dynamic responses to the cardiovascular experiments of the Skylab missions and to selected physiological stresses of manned space flight. Specific model simulations of the bicycle ergometry, lower body negative pressure, and tilt experiments have been developed and verified for 1-g response by comparison with available experimental data. The zero-g simulations of two Skylab experiments are discussed.

Croston, R. C.↗

NASA NTRS1991

Supersonic propulsion simulation by incorporating component models in the large perturbation inlet (LAPIN) computer code

An approach to simulating the internal flows of supersonic propulsion systems is presented. The approach is based on a fairly simple modification of the Large Perturbation Inlet (LAPIN) computer code. LAPIN uses a quasi-one dimensional, inviscid, unsteady formulation of the continuity, momentum, and energy equations. The equations are solved using a shock capturing, finite difference algorithm. The original code, developed for simulating supersonic inlets, includes engineering models of unstart/restart, bleed, bypass, and variable duct geometry, by means of source terms in the equations. The source terms also provide a mechanism for incorporating, with the inlet, propulsion system components such as compressor stages, combustors, and turbine stages. This requires each component to be distributed axially over a number of grid points. Because of the distributed nature of such components, this representation should be more accurate than a lumped parameter model. Components can be modeled by performance map(s), which in turn are used to compute the source terms. The general approach is described. Then, simulation of a compressor/fan stage is discussed to show the approach in detail.

Cole, Gary L.↗

NASA NTRS2018

Cross-Cutting Computational Modeling Project: Integrative Modeling Approach

A wide range of computational models and analyses have been applied to spaceflight risk assessment and countermeasure development. The benefits of using computational modeling to enhance Human Research Program (HRP) goals include the ability to mathematically represent physiological systems, integrate multiple, discrete experimental measures, span multiple temporal and spatial scales, determine important factors within the system and provide estimates of unmeasurable quantities. In the area of application, computational models provide a means of developing simulations to test hypotheses, determining key factors of the system to aid experimental design and bridging gaps in sparse data by mathematically simulating large populations. Specifically, computational models and their supporting analysis tools have the proven potential to integrate analyses of risk factors to enhance mission planning and preparation capabilities and to inform spacecraft design and countermeasure development. Appropriately applied, computational models may allow intelligent, unbiased physiological parameter assessment to enable hypothesis testing and model based design of experiments. HRP recently formed the Computational Modeling Project (CMP), managed out of Glenn Research Center, as a cross-cutting activity aimed at leveraging the growing power and acceptance of computational modeling in informing clinical, physiological, and biological studies. This presentation will provide an overview of the challenges and opportunities in implementing various forms of computational models in support of the HRPs path to risk reduction.

biomechanics↗

DOE OSTI2025

Prototype-Wise Sensitivity Analysis of Urban Building Energy Simulation Surrogate Modeling Accuracy

Urban Building Energy Modeling (UBEM) is an important reference for urban energy-related policymaking. Because of the significant impact of urban microclimates on the energy simulation, UBEM requires simulations of many microclimate-prototype pairs. Surrogate modeling is commonly used to reduce the cost of simulation computations. In UBEM surrogate modeling, it is important to determine the percentage of microclimates related to a prototype used for generating surrogate model training data. This study analyzes the prototype-wise variations and sensitivities of surrogate model estimation accuracy to the microclimate sampling ratios. The results of the study can help determine the number of simulations used for generating surrogate modeling data, avoid redundant simulations, and reduce the computational cost for UBEM surrogate modeling and its time.

Pan, Xiyu↗

DOE OSTI2024

Large-scale Multiphysics Simulations of Small Modular Reactors Operating in Natural Circulation

Thanks to the advancements in high-performance computing, advanced modeling and simulation have become crucial in driving the development and deployment of next-generation nuclear reactors, such as small modular reactors (SMRs). SMRs offer the promise of cost-effective baseload electricity production and improved safety, while addressing some of the challenges associated with large reactor designs, such as high capital costs and extended construction timelines. As part of the Exascale Computing Project, the large-scale multiphysics simulation of an entire SMR primary system has been achieved by combining computational fluid dynamics and neutronics. In addition to the successful demonstration of full-core SMR simulations, the current study integrated the impact of natural circulation into the system. Natural circulation is the primary mechanism driving coolant circulation in SMRs. The mass flow rate in the core depends on the core power, and a numerical model has been developed to predict it. The pressure drop caused by the helical coil steam generator was also accounted for by developing a pressure drop correlation based on high-fidelity large eddy simulation results, further improving prediction accuracy. In conclusion, the results of the study demonstrate that the implemented natural circulation model is effective in predicting the responses of SMR full-core multiphysics simulations.

ECP↗

NASA NTRS1998

Efficient dynamic constraints for animating articulated figures

This paper presents an efficient dynamics-based computer animation system for simulating and controlling the motion of articulated figures. A non-trivial extension of Featherstone's O(n) recursive forward dynamics algorithm is derived which allows enforcing one or more constraints on the animated figures. We demonstrate how the constraint force evaluation algorithm we have developed makes it possible to simulate collisions between articulated figures, to compute the results of impulsive forces, to enforce joint limits, to model closed kinematic loops, and to robustly control motion at interactive rates. Particular care has been taken to make the algorithm not only fast, but also easy to implement and use. To better illustrate how the constraint force evaluation algorithm works, we provide pseudocode for its major components. Additionally, we analyze its computational complexity and finally we present examples demonstrating how our system has been used to generate interactive, physically correct complex motion with small user effort.

NASA Discipline Space Human Factors↗

DOE OSTI2026

Adaptive Computing and Multi-Fidelity Learning

We describe our ongoing research in adaptive computing. Our goal is to use a combination of low- and high-fidelity simulation models to enable computationally efficient optimization and uncertainty quantification. We develop optimization formulations that take into account the compute resources currently available, which act as a constraint with regards to the fidelity level simulation we can run while maximizing information gain. We will discuss a few application examples that can benefit from this approach, especially when considering challenges arising in scaling up experiments and simulations.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Mobility analysis, simulation, and scale model testing for the design of wheeled planetary rovers

The use of computer based techniques to model and simulate wheeled rovers on rough natural terrains is considered. Physical models of a prototype vehicle can be used to test the correlation of the simulations in scaled testing. The computer approaches include a quasi-static planar or two dimensional analysis and design tool based on the traction necessary for the vehicle to have imminent mobility. The computer program modeled a six by six wheel drive vehicle of original kinematic configuration, called the Rocker Bogie. The Rocker Bogie was optimized using the quasi-static software with respect to its articulation parameters prior to fabrication of a prototype. In another approach used, the dynamics of the Rocker Bogie vehicle in 3-D space was modeled on an engineering workstation using commercial software. The model included the complex and nonlinear interaction of the tire and terrain. The results of the investigation yielded numerical and graphical results of the rover traversing rough terrain on the earth, moon, and Mars. In addition, animations of the rover excursions were also generated. A prototype vehicle was then used in a series of testbed and field experiments. Correspondence was then established between the computer models and the physical model. The results indicated the utility of the quasi-static tool for configurational design, as well as the predictive ability of the 3-D simulation to model the dynamic behavior of the vehicle over short traverses.

Lindemann, Randel A.↗

DOE OSTI2023

Temporally continuous thermofluidic–thermomechanical modeling framework for metal additive manufacturing

Additive manufacturing (AM) is known to generate large magnitudes of residual stresses (RS) within builds due to steep and localized thermal gradients. In the current state of commercial AM technology, manufacturers generally perform heat treatments in effort to reduce the generated RS and its detrimental effects on part distortion and in-service failure. Computational models that effectively simulate the deposition process can provide valuable insights to improve RS distributions. Accordingly, it is common to employ Computational fluid dynamics (CFD) models or finite element (FE) models. While CFD can predict geometric and thermal-fluid behavior, it cannot predict the structural response (e.g., stress–strain) behavior. On the other hand, an FE model can predict mechanical behavior, but it lacks the ability to predict geometric and fluid behavior. Thus, an effectively integrated thermofluidic–thermomechanical modeling framework that exploits the benefits of both techniques while avoiding their respective limitations can offer valuable predictive capability for AM processes. In contrast to previously published efforts, the work herein describes a one-way coupled CFD-FEA framework that abandons major simplifying assumptions, such as geometric steady-state conditions, the absence of material plasticity, and the lack of detailed RS evolution/accumulation during deposition, as well as insufficient validation of results. Here, the presented framework is demonstrated for a directed energy deposition (DED) process, and experiments are performed to validate the predicted geometry and RS profile. Both single- and double-layer stainless steel 316L builds are considered. Geometric data is acquired via 3D optical surface scans and X-ray micro-computed tomography, and residual stress is measured using neutron diffraction (ND). Comparisons between the simulations and measurements reveal that the described CFD-FEA framework is effective in capturing the coupled thermomechanical and thermofluidic behaviors of the DED process. The methodology presented is extensible to other metal AM processes, including power bed fusion and wire-feed-based AM.

42 ENGINEERING↗

NASA NTRS1977

Prediction of pilot reserve attention capacity during air-to-air target tracking

Reserve attention capacity of a pilot was calculated using a pilot model that allocates exclusive model attention according to the ranking of task urgency functions whose variables are tracking error and error rate. The modeled task consisted of tracking a maneuvering target aircraft both vertically and horizontally, and when possible, performing a diverting side task which was simulated by the precise positioning of an electrical stylus and modeled as a task of constant urgency in the attention allocation algorithm. The urgency of the single loop vertical task is simply the magnitude of the vertical tracking error, while the multiloop horizontal task requires a nonlinear urgency measure of error and error rate terms. Comparison of model results with flight simulation data verified the computed model statistics of tracking error of both axes, lateral and longitudinal stick amplitude and rate, and side task episodes. Full data for the simulation tracking statistics as well as the explicit equations and structure of the urgency function multiaxis pilot model are presented.

Onstott, E. D.↗

DOE OSTI2023

Ground Motion Models (GMMs) Improvements Using Earthquake Simulations on High Performance Computers

A computationally efficient simulation platform was developed that can provide representative synthetic ground motions from crustal earthquakes in the Stable Continental Regions of Central and Eastern US (CEUS), using 3D modeling and high-performance computing. The main objective was to use synthetic ground motion to provide constrains to refinements of exiting ergodic Ground Motion Models (GMMs), for large magnitude earthquakes and near-fault distances, for which these models are less reliable. Physics-based broadband (0-5Hz) ground motion simulations were used to estimate the near-fault ground motion amplitudes and within event and between-event variabilities associated with fault rupture characteristics. As part of a strategy for selecting a reginal velocity model and validation of developed rupture modeling technique, ground motions from the moment magnitude Mw5.0 November 7, 2016, Cushing Oklahoma, and Mw5.8 September 3, 2016, Pawnee Oklahoma earthquakes were simulated. In our simulations we used a 3D regional velocity model that was based on Saikia’s 1D velocity model. Saikia’s model demonstrated better performance in modelling high frequency regional wave propagation for CEUS region. The proposed 3D model includes lateral variations added to the 1D background model using the stochastic scheme of Pitarka and Mellors. Comparisons of the simulations with recordings of both earthquakes demonstrated the reliability of our deterministic simulation approach while emphasizing the importance of including small-scale variability in the regional velocity model needed to reproduce the observed high-frequency wave scattering effects. As part of validation analysis, comparisons with different GMMs for a Mw6.5 earthquake in the CESUS region resulted in a very good match between the simulated and empirical ground motion models. Initial investigations of within-event and between-event ground motion variabilities for Mw6.5 scenario earthquakes on a strike-slip fault, suggest that they are strongly related to spatial slip and slip rate variations, average rupture velocity, rupture area and rupture initiation location. For certain scenarios we found that the ground motion variability observed at near-fault distances (< 5 km) also persists at longer distances. Regardless of the rupture scenario, the simulated ground motion tends to fully saturate at short distances and for all periods. The near-fault saturation has to do with the attenuation of waves propagating along the fault and local rupture radiation pattern that also contribute to stronger ground motion variation at such distances. Analysis of effects of rupture initiation location suggest that the peak ground motion (PGV) and spectral acceleration (SA) can be quite variable due to rupture directivity effects. Such effects are stronger at periods longer than 1s. The effect of the 1D velocity models and surface topography on simulated ground motion were investigated by comparing three component synthetic seismograms computed at selected sites. Effect of surface topography was considered using the ratio between spectral accelerations simulated for two 1D models with flat surface topography and realistic model with surface topography. Overall, the topography slightly amplifies (by ~30%) the ground motion amplitude in the frequency range 1-3Hz. The effect of topography is more visible in the surface and coda waves portion of the seismograms.

58 GEOSCIENCES↗

NASA NTRSDate not supplied

Downfolding Complex Materials Problems Onto Model Hamiltonians for Quantum Computers

Simulating the properties of quantum materials is expected to be one of the exciting applications for quantum computers and where we hope to see advantages over classical hardware. The complexity of ab initio Hamiltonians describing the physics of application-relevant materials places them beyond the realm of possibility for solution on near-term hardware with a limited number of qubits. Various Hamiltonian approximations, including Hamiltonian downfolding, offers a possibility towards simulating complex materials on near-term hardware. This is accomplished by approximating the relevant physics of a given material through their representation by simpler model Hamiltonians, such as the Hubbard Hamiltonian or extensions of it. Here we employ a well-defined first-principles methodology for deriving downfolded multi-band extended Hubbard Hamiltonians of materials, capturing strong electronic correlation and electron-phonon coupling, based on the formalism of Wannier functions and the calculation of the screened Coulomb interaction. We demonstrate for a variety of systems that quantum simulation of these downfolded Hamiltonians reproduces key properties, thus establishing downfolding as a promising route to achieve near-term simulation of application-relevant systems on quantum hardware.

Antonios Markos Alvertis↗

NASA NTRSDate not supplied

Downfolding complex materials problems onto model Hamiltonians for quantum computers

Antonios M. Alvertis↗

DOE OSTI2024

Towards exascale for wind energy simulations

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer flows that are of direct relevance to wind energy production. The first code, NekRS, is a high-order, unstructured-grid, spectral element code. The second code, AMR-Wind, is a second-order, block-structured, finite-volume code with adaptive mesh refinement capabilities. The objective of this study is to co-develop these codes in order to improve model fidelity and performance for each. These features will be critical for running ABL-based applications such as wind farm analysis on advanced computing architectures. To this end, we investigate the performance of NekRS and AMR-Wind on the Oak Ridge Leadership Facility supercomputers Summit, using 4 to 800 nodes (24 to 4,800 NVIDIA V100 GPUs), and Crusher, the testbed for the Frontier exascale system, using 18 to 384 Graphics Compute Dies on AMD MI250X GPUs. We compare strong- and weak-scaling capabilities, linear solver performance, and time to solution. We also identify leading inhibitors to parallel scaling.

17 WIND ENERGY↗

DOE OSTI2022

The revised FLORIDyn model: implementation of heterogeneous flow and the Gaussian wake

In this paper, a new version of the FLOw Redirection and Induction Dynamics (FLORIDyn) model is presented. The new model uses the three-dimensional parametric Gaussian FLORIS model and can provide dynamic wind farm simulations at a low computational cost under heterogeneous and changing wind conditions. Both FLORIS and FLORIDyn are parametric models which can be used to simulate wind farms, evaluate controller performance and can serve as a control-oriented model. One central element in which they differ is in their representation of flow dynamics: FLORIS neglects these and provides a computationally very cheap approximation of the mean wind farm flow. FLORIDyn defines a framework which utilizes this low computational cost of FLORIS to simulate basic wake dynamics. This is achieved by creating so-called observation points (OPs) at each time step at the rotor plane which inherit the turbine state. In this work, we develop the initial FLORIDyn framework further considering multiple aspects. The underlying FLORIS wake model is replaced by a Gaussian wake model. The distribution and characteristics of the OPs are adapted to account for the new parametric model but also to take complex flow conditions into account. To achieve this, a mathematical approach is developed to combine the parametric model and the changing, heterogeneous world conditions and link them with each OP. We also present a computationally lightweight wind field model to allow for a simulation environment in which heterogeneous flow conditions are possible. FLORIDyn is compared to Simulator for Offshore Wind Farm Applications (SOWFA) simulations in three- and nine-turbine cases under static and changing environmental conditions. The results show a good agreement with the timing of the impact of upstream state changes on downstream turbines. They also show a good agreement in terms of how wakes are displaced by wind direction changes and when the resulting velocity deficit is experienced by downstream turbines. A good fit of the mean generated power is ensured by the underlying FLORIS model. In the three-turbine case, FLORIDyn simulates 4 s simulation time in 24.49 ms computational time. The resulting new FLORIDyn model proves to be a computationally attractive and capable tool for model-based dynamic wind farm control.

17 WIND ENERGY↗

DOE OSTI2024

Adaptive Computing and Multi-Fidelity Strategies for Control, Design and Scale-Up of Renewable Energy Applications

We describe our ongoing research in adaptive computing and multi-fidelity modeling strategies. Our goal is to use a combination of low- and high-fidelity simulation models to enable computationally efficient optimization and uncertainty quantification. We develop optimization formulations that take into account the compute resources currently available, which act as a constraint with regards to the fidelity level simulation we can run while maximizing information gain. These strategies are being implemented into a software framework with a generalized API allowing its application to a broad range of applications, from power grid stability and buildings control to material synthesis and biofuels processing. We will discuss a few examples from these applications that can benefit from this approach, especially when considering challenges arising in scaling up experiments and simulations.

adaptive computing↗

DOE OSTI2020

Xyce Case Study

With the elimination of underground nuclear testing and declining defense budgets, science-based stockpile stewardship requires increased reliance on high performance modeling and simulation of weapon systems. Today's weapon systems are comprised of various electrical components and systems. As a result, there is a need for tools that will allow the use of massively parallel modeling and simulation techniques on high performance computers in existing and future weapons' electrical systems models. The Xyce Parallel Electronic Simulator is a SPICE (Simulation Program with Integrated Circuit Emphasis)- compatible circuit simulator designed to run on large-scale parallel computing platforms, though it can also execute efficiently on a variety of architectures including single processor workstations. As a mature platform for large-scale parallel circuit simulation, Xyce supports standard capabilities available in commercial simulators, in addition to various devices and models specific to Sandia's needs. Specifically, Xyce aids in the design and verification of electrical and electronic circuits and systems prior to weapons' manufacturing and deployment.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗