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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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At least 73 records · Page 4

Accelerating Scientific Simulations with Bi-Fidelity Weighted Transfer Learning

High-fidelity modeling is an essential design tool for many engineering applications. However, for complex systems, computational cost can be a limiting factor. Analyzing parameter sensitivity, uncertainty quantification, and design optimization require many model evaluations. Surrogate models are often used to develop the relationship between model parameters and quantities of interest. However, in the case of complex systems, surrogate models require several degrees of freedom and, thus, a large number of data points to determine the correct dependencies. For many applications, this may be prohibitively expensive. The reduction of computational requirements can be achieved by leveraging low-fidelity models. Low-fidelity models represent the system at a coarser resolution with the advantage of computational efficiency. Therefore, a bi-fidelity modeling paradigm, which augments the accuracy of a low-fidelity model in a computationally efficient manner by invoking limited runs of a high-fidelity model, can be leveraged to sufficiently balance the accuracy and computational requirements. In this work, a bi-fidelity weighted transfer learning method using neural networks was applied to a computational fluid dynamics heat transfer modeling problem. The transfer learning advantage was investigated as a function of hyperparameters. Our main finding is that the use of a bi-fidelity modeling paradigm achieves accuracy close to that of a high-fidelity Gaussian process model while significantly reducing computational cost. The bi-fidelity model achieves comparable performance with 90 high-fidelity samples-that is, 60% less than the samples needed to achieve similar accuracy without the use of bi-fidelity modeling,

Borowiec, Katarzyna↗

Mystic: Implementation of the Static Dynamic Optimal Control Algorithm for High-Fidelity, Low-Thrust Trajectory Design

Mystic software is designed to compute, analyze, and visualize optimal high-fidelity, low-thrust trajectories, The software can be used to analyze inter-planetary, planetocentric, and combination trajectories, Mystic also provides utilities to assist in the operation and navigation of low-thrust spacecraft. Mystic will be used to design and navigate the NASA's Dawn Discovery mission to orbit the two largest asteroids, The underlying optimization algorithm used in the Mystic software is called Static/Dynamic Optimal Control (SDC). SDC is a nonlinear optimal control method designed to optimize both 'static variables' (parameters) and dynamic variables (functions of time) simultaneously. SDC is a general nonlinear optimal control algorithm based on Bellman's principal.

low thrust↗

Application of Low & Mid Fidelity Tools to the Moog SureFly Vehicle

The results from a comprehensive acoustic analysis using low- and mid-fidelity tools to predict the acoustic signature of the Moog SureFly® UAM vehicle are presented and compared to experimental ground test data taken in 2019. The data presented is taken from a ground plate microphone at a distance of just under 100 feet from the propeller source. Simulations were performed for a single propeller and a coaxial pair. Results indicate that the first few blade passing frequency (BPF) harmonics match the experimental data reasonably well using both low- and mid-fidelity prediction toolchains.

Acoustics↗

Multi-fidelity physics-informed machine learning for probabilistic damage diagnosis

Machine learning (ML) models are gaining popularity in structural health monitoring (SHM) because of their ability to learn the complex relationship between damage and sensor data. However, the lack of sufficient experimental data for structures with different degrees of damage is a key problem in training ML models for SHM. This problem can be alleviated by using physics-based models to generate the required training data to build physics-informed ML (PIML) models for SHM. However, it takes significant computational effort to perform enough high-fidelity simulations of the diagnostic test. It is thus desirable to know whether the available computational resource budget should be expended on numerous low-fidelity physics simulations, or a small number of high-fidelity simulations, or their combination. In this paper, we investigate this aspect of generating adequate training data for PIML, by constructing multi-fidelity PIML models. We evaluate the performance of several PIML models, trained with different amounts of low-fidelity and high-fidelity data, in locating hidden cracks in concrete structures using a nonlinear dynamics-based diagnosis technique. Here, we find that high-fidelity physics simulations that do not cover the (test and damage) parameter space do not improve the performance of diagnostic PIML models built using data from many low-fidelity physics simulations.

42 ENGINEERING↗

Multifidelity multiobjective optimization for wake-steering strategies

Abstract. Wake steering is an emerging wind power plant control strategy where upstream turbines are intentionally yawed out of perpendicular alignment with the incoming wind, thereby “steering” wakes away from downstream turbines. However, trade-offs between the gains in power production and fatigue loads induced by this control strategy are the subject of continuing investigation. In this study, we present a multifidelity multiobjective optimization approach for exploring the Pareto front of trade-offs between power and loading during wake steering. A large eddy simulation is used as the high-fidelity model, where an actuator line representation is used to model wind turbine blades and a rainflow-counting algorithm is used to compute damage equivalent loads. A coarser simulation with a simpler loads model is employed as a supplementary low-fidelity model. Multifidelity Bayesian optimization is performed to iteratively learn both a surrogate of the low-fidelity model and an additive discrepancy function, which maps the low-fidelity model to the high-fidelity model. Each optimization uses the expected hypervolume improvement acquisition function, weighted by the total cost of a proposed model evaluation in the multifidelity case. The multifidelity approach is able to capture the logit function shape of the Pareto frontier at a computational cost only 30 % that of the single-fidelity approach. Additionally, we provide physical insights into the vortical structures in the wake that contribute to the Pareto front shape.

17 WIND ENERGY↗

Search for ultralight dark matter in the SuperMAG high-fidelity dataset

Ultralight dark matter, such as kinetically mixed dark-photon dark matter (DPDM) or axion-like-particle dark matter (axion DM), can source an oscillating magnetic-field signal at Earth’s surface. Previous work searched for this signal in a publicly available dataset of global magnetometer measurements maintained by the SuperMAG collaboration. This “low-fidelity” dataset reported measurements with a 1-min time resolution, allowing the search to set leading direct constraints on DPDM and axion DM with Compton frequencies f DM ≤ 1 / ( 1 min ) (corresponding to masses m DM ≤ 7 × 10 − 17 eV ). More recently, a dedicated experiment undertaken by the SNIPE Hunt collaboration has also searched for this same signal at higher frequencies f DM ≥ 0.5 Hz (or m DM ≥ 2 × 10 − 15 eV ). In this work, we search for this signal of ultralight DM in the SuperMAG “high-fidelity” dataset, which features a 1-sec time resolution, allowing us to probe the gap in parameter space between the low-fidelity dataset and the SNIPE Hunt experiment. The high-fidelity dataset exhibits lower geomagnetic noise than the low-fidelity dataset and features more data than the SNIPE Hunt experiment, making it a powerful probe of ultralight DM. Our search finds no robust DPDM or axion DM candidates. We set constraints on DPDM and axion DM parameter space for 10 − 3 Hz ≤ f DM ≤ 0.98 Hz (or 4 × 10 − 18 eV ≤ m DM ≤ 4 × 10 − 15 eV ). Our results are the leading direct constraints on both DPDM and axion DM in this mass range, and our DPDM constraint surpasses the leading astrophysical constraint in a narrow range around m A ′ ≈ 2 × 10 − 15 eV . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Strategies for Automation of Model Tuning in Multifidelity Trajectory Uncertainty Propagation

Multi-model Monte Carlo methods are efficient strategies to perform forward uncertainty quantification studies in entry, descent, and landing (EDL) applications. These multi-model methods are based on the classical Monte Carlo estimator, but fuse predictions from several low-fidelity models to obtain estimators with greater precision given a prescribed computational budget. The effectiveness of these approaches relies on the magnitudes of correlations between the low-fidelity models and the high-fidelity model, as well as the relative computational costs of all models. Identifying and exploiting the best trade-off between correlation and cost, which ultimately depends on the selection of hyperparameters in the low-fidelity models, is a task often performed by hand or simply inspired by the deterministic understanding available for a specific application. This work extends a preliminary effort,

Marten Thompson↗

A multifidelity Bayesian optimization method for inertial confinement fusion design

Due to their cost, experiments for inertial confinement fusion (ICF) heavily rely on numerical simulations to guide design. As simulation technology progresses, so too can the fidelity of models used to plan for new experiments. However, these high-fidelity models are by themselves insufficient for optimal experimental design, because their computational cost remains too high to efficiently and effectively explore the numerous parameters required to describe a typical experiment. Therefore, traditionally, ICF design has relied on low-fidelity modeling to initially identify potentially interesting design regions, which are then subsequently explored via selected high-fidelity modeling. In this paper, we demonstrate that this two-step approach can be insufficient: even for simple design problems, a two-step optimization strategy can lead high-fidelity searching toward incorrect regions and consequently waste computational resources on parameter regimes far away from the true optimal solution. We reveal that a primary cause of this behavior in ICF design problems is the presence of low-fidelity optima in different regions of the parameter space far away from high-fidelity optima. To address this issue, we propose an iterative multifidelity Bayesian optimization method based on Gaussian Process Regression that leverages both low- and high-fidelity models simultaneously. We demonstrate, using both two- and eight-dimensional ICF test problems, that our algorithm can effectively utilize both low-fidelity and high-fidelity models to refine the designs. This approach proves to be more efficient than relying solely on high-fidelity modeling for optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Propulsion-Airframe Integration for Conceptual Redesign of a Low-Boom Supersonic Transport

A low-boom supersonic transport was generated in a previous low-boom multidisciplinary optimization (MDO) study that used computational fluid dynamics (CFD) off-body pressure to compute the undertrack sonic boom ground signature and calibrated low-fidelity aerodynamics analyses to compute the mission performance metrics. This low-boom aircraft, referred to as the Mach 1.7 40-PAX concept, can carry 40 passengers for a low-boom overland mission with cruise Mach 1.7 for the airport pairs over the continental US and has the potential to achieve an undertrack sonic boom ground noise level below 70 perceived level of decibels at the start of overland cruise (SOC). The engine for the Mach 1.7 40-PAX concept was designed using the Numerical Propulsion System Simulation (NPSS) for the mission analysis and modeled as a flow-through nacelle for CFD-based sonic boom analysis. To understand how the engine plume affects the undertrack ground signature, the Mach 1.7 40-PAX concept is redesigned in this paper after replacing the flow-through nacelles by CFD engines for sonic boom analysis using aeropropulsive CFD simulation. A process is developed for approximation of the NPSS engine at SOC by a CFD engine for aeropropulsive CFD simulation. The generated CFD engine has the identical nozzle boundary conditions and approximately the same mass flow and thrust as those of the NPSS engine at SOC. Then, the outer mold line of the configuration with the CFD engines is redesigned to approximately restore the low-boom characteristics of the Mach 1.7 40-PAX concept at SOC. Finally, the CFD simulation data for the redesigned concept with the CFD engines is used to calibrate the low-fidelity aerodynamic analyses for mission analysis of this concept. The cyclic dependency of the involved disciplinary analyses is resolved using an iteration method for a consistent coupling of the mission analysis, NPSS engine analysis, and low-boom redesign using the aeropropulsive CFD simulation. This low-boom redesign study is used as an example to demonstrate how the propulsion-airframe integration could be implemented for conceptual design of supersonic transports that satisfy both the low-boom and mission performance requirements.

Low-boom supersonic transport↗

Transfer Learning of High-Fidelity Opacity Spectra in Autoencoders and Surrogate Models

Simulations of high energy density physics are expensive, largely in part for the need to produce nonlocal thermodynamic equilibrium opacities. High-fidelity spectra may reveal new physics in the simulations not seen with low-fidelity spectra, but the cost of these simulations also scales with the level of fidelity of the opacities being used. Neural networks are capable of reproducing these spectra, but neural networks need data to train them, which limits the level of fidelity of the training data. Here this article demonstrates that it is possible to reproduce high-fidelity spectra with median errors in the realm of 3%–4% using as few as 50 samples of high-fidelity Krypton data by performing transfer learning on a neural network trained on many times more low-fidelity data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning

In previous work (Dandu et al., J. Phys. Chem. A, 2022, 126, 4528–4536), we were successful in predicting accurate atomization energies of organic molecules using machine learning (ML) models, obtaining an accuracy as low as 0.1 kcal/mol compared to the G4MP2 method. In this work, we extend the use of these ML models to adiabatic ionization potentials on data sets of energies generated using quantum chemical calculations. Atomic specific corrections that were found to improve atomization energies from quantum chemical calculations have also been used in this study to improve ionization potentials. Here, the quantum chemical calculations were performed on 3405 molecules containing eight or fewer non-hydrogen atoms derived from the QM9 data set, using the B3LYP functional with the 6–31G(2df,p) basis set for optimization. Low-fidelity IPs for these structures were obtained using two density functional methods: B3LYP/6–31+G(2df,p) and ωB97XD/6–311+G(3df,2p). Highly accurate G4MP2 calculations were performed on these optimized structures to obtain high-fidelity IPs to use in ML models based on the low-fidelity IPs. Our best performing ML methods gave IPs of organic molecules within a mean absolute deviation of 0.035 eV from the G4MP2 IPs for the whole data set. This work demonstrates that ML predictions assisted by quantum chemical calculations can be used to successfully predict IPs of organic molecules for use in high throughput screening.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A review of modelling techniques for floating offshore wind turbines

Modelling floating offshore wind turbines (FOWTs) is challenging due to the strong coupling between the aerodynamics of the turbine and the hydrodynamics of the floating platform. Physical testing at scale is faced with the additional challenge of the scaling mismatch between Froude number and Reynolds number due to working in the two fluid domains, air and water. In the drive for cost-reduction of floating wind energy, designers may be seeking to move towards high-fidelity numerical modelling as a substitute for physical testing. However, the numerical engineering tools typically used for FOWT modelling are considered as mid-fidelity to low-fidelity tools, and currently lack the level of accuracy required to do so. Furthermore, there is a lack of operational FOWT data available for further development and validation. High-fidelity tools, such as CFD, have greater accuracy but are cumbersome tools and still require validation. Physical scale model testing therefore continues to play an essential role in the development of FOWTs both as a source of validation data for numerical models and as an important development step along the path to commercialization of all platform concepts. The aim of this paper is to provide an overview of both numerical modelling and physical FOWT scale model testing approaches and to provide guidance on the selection of the most appropriate approach (or combination of approaches). The current state-of-the-art will be discussed along with current research trends and areas for further investigation.

17 WIND ENERGY↗

Multi-fidelity Fourier neural operator for fast modeling of large-scale geological carbon storage

Deep learning-based surrogate models have been widely applied in geological carbon storage (GCS) problems to accelerate the prediction of reservoir pressure and CO2 plume migration. Large amounts of data from physics-based numerical simulators are required to train a model to accurately predict the complex physical behaviors associated with this process. In practice, the available training data are always limited in large-scale 3D problems due to the high computational cost. Therefore, we propose to use a multi-fidelity Fourier neural operator (FNO) to solve large-scale GCS problems with more affordable multi-fidelity training datasets. FNO has a desirable grid-invariant property, which simplifies the transfer learning procedure between datasets with different discretization. Here, we first test the model efficacy on a GCS reservoir model being discretized into 110 k grid cells. The multi-fidelity model can predict with accuracy comparable to a high-fidelity model trained with the same amount of high-fidelity data with 81% less data generation costs. We further test the generalizability of the multi-fidelity model on a same reservoir model with a finer discretization of 1 million grid cells. This case was made more challenging by employing high-fidelity and low-fidelity datasets generated by different geostatistical models and reservoir simulators. We observe that the multi-fidelity FNO model can predict pressure fields with reasonable accuracy even when the high-fidelity data are extremely limited. The findings of this study can help for better understanding of the transferability of multi-fidelity deep learning surrogate models.

58 GEOSCIENCES↗

High-Fidelity Multiple-Flyby Trajectory Optimization Using Multiple-Shooting

Rendering a complex spacecraft trajectory in high fidelity can be an expensive endeavor, both computationally and from a human time/cost standpoint. However, in many cases, a low-fidelity trajectory that reasonably approximates a high-fidelity counterpart is much easier to obtain. Thus, it is important to have an efficient process for converting a trajectory from lower-fidelity model to high fidelity. We present a method for converting low-fidelity trajectories into high fidelity that relies on multiple shooting, nonlinear programming, and numerical integration. The procedure converts any zero-radius sphere-of-influence gravity-assist events to fully integrated flyby events. Several numerical examples are presented that showcase the flexibility of the high-fidelity rendering process across multiple mission types and flight regimes.

high-fidelity↗

Floating Wind Array Ontology and Modeling Framework

While there are many tools for designing and modeling a single floating turbine, array level design and modeling has much more to consider. Designing floating wind arrays requires a coupled approach considering many variables, from bathymetry to installation and maintenance to failure and risk analysis. With all of these considerations, an array-level modeling tool is needed to quickly evaluate array designs. The Floating Array Model (FAModel) tool developed at the National Renewable Energy Laboratory was created to fill this gap in low-fidelity array modeling. FAModel is a python framework created to streamline holistic low-fidelity floating wind modeling for array-level analysis. FAModel integrates site data and models with a variety of open-source modeling tools developed by NREL, including FLORIS, RAFT, MoorPy, and anchor capacity models. The integration of these tools allows users to quickly and holistically design an array by considering forces, area analysis, visualization, annual energy production, failure modeling, and component costs.

17 WIND ENERGY↗

Progress in Integrated Fluid/Structure/Controls Computations Using High Fidelity Equations

Aeroelasticity that involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of aircraft which can experience complex flow/structure interactions. Supersonic transports can experience vortex induced aeroelastic oscillations whereas subsonic transports can experience transonic buffet associated structural oscillations. Both aircraft may experience a dip in the flutter speed at the transonic regime. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Using these high fidelity methods, design quantities such as structural stresses can be directly computed. Computations using these high fidelity equations require state-of-the-art large computational resources. This paper will describe the transition from potential equations to Euler/Navier-Stokes equations for fluids and from modal equations to finite element equations for structures. Complexities associated with grids for moving control surfaces will be discussed. All contents of the paper will be limited to those already presented at domestic conferences within U.S. such as those sponsored by AIAA. It will not include any materials related to HPCCP computational work.

Guruswamy, Guru P.↗

Simulation Tool for Damage in Composite Laminates

A numerical simulation tool for progressive failure in laminates utilizes a low fidelity approach. The numerical model includes an enriched element that is initially in a low fidelity form. The enriched elements may increase fidelity by splitting locally to simulate an ongoing damage process such as delamination.

McElroy, Mark W.↗

MFLOP to GFLOP: The Impact on High Fidelity Based Computational Aeroelasticity

Aeroelasticity which involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of modern aircraft which can experience complex flow/structure interactions. Even at moderate angles of attack supersonic aircraft can experience vortex induced aeroelastic oscillations. Near transonic speeds buffet associated structural oscillations are possible. Aircraft flying in transonic regime may experience a dip in the flutter speed. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Computations using these high fidelity equations require large computational resources both in memory and speed. Current conventional supercomputers have reached their limitations both in memory and speed. As a result, parallel computers have evolved to overco me the limitations of conventional computers. This paper will address the transition that is taking place in computational aeroelasticity from conventional computers to parallel computers. The paper will address special techniques needed to take advantage of the architecture of new parallel computers. Results will be illustrated from computations made on iPSC/860 and IBM SP2 computer by using ENSAERO code that directly couples the Euler/Navier-Stokes flow equations with high resolution finite-element structural equations. Modifications required in both fluids and structural solvers in order to run efficiently on parallel computers will be discussed. Implementation of moving grids and fluid/structural interface on parallel computers will be discussed.

Guruswamy, Guru P.↗