Results for “machine” — Page 9

NASA NTRSDate not supplied

Scaling Electric Machines to a Megawatt and Material Options

Megawatt (MW) electric aircraft propulsion (EAP) is seen as a significant contributor toward achieving the goals set forth by the Sustainable Flight National Partnership. A large part of enabling MW EAP is developing specific-power-dense electric machines. As specific-power-dense electric machines are scaled up from kW to MW power levels, the thermal stresses on the machines increase in both magnitude and performance-affecting characteristics. This is particularly true for the stators of these machines. Analysis via thermal resistance network modeling and multiscale modeling reveals that increasing amounts of heat will be trapped in the stator windings as the power levels increase. The challenges this presents can be addressed through material advancements whereby materials gain multifunctionality. Specifically, the electrical insulation and potting materials, along with the electrical conductor, that compose the stator slot must work together (gain multifunctionality) to relieve the increased thermal stress. Materials research at the NASA Glenn Research Center points to some useful solutions in this trade space.

Electric Machine↗

NASA NTRS2023

Scaling Electric Machines to a Megawatt and Material Options

Megawatt (MW) electric aircraft propulsion (EAP) is seen as a significant contributor toward achieving the goals set forth by the Sustainable Flight National Partnership. A large part of enabling MW EAP is developing specific-power-dense electric machines. As specific-power-dense electric machines are scaled up from kW to MW power levels, the thermal stresses on the machines increase in both magnitude and performance-affecting characteristics. This is particularly true for the stators of these machines. Analysis via thermal resistance network modeling and multiscale modeling reveals that increasing amounts of heat will be trapped in the stator windings as the power levels increase. The challenges this presents can be addressed through material advancements whereby materials gain multifunctionality. Specifically, the electrical insulation and potting materials, along with the electrical conductor, that compose the stator slot must work together (gain multifunctionality) to relieve the increased thermal stress. Materials research at the NASA Glenn Research Center points to some useful solutions in this trade space.

Electric Machine↗

NASA NTRS2024

Machine Learning for the Prediction of Local Asteroid Damages

Risk assessment studies of local asteroid hazards traditionally simulate the physics of meteors with engineering models tailored to analyze tens-of-millions of scenarios. However, these simplified approaches still need to solve time-dependent ODEs to model the entry process and the resulting ground damage. With a computational cost of O(0.01 CPU.s) per scenario, simulating these large numbers of potential entry conditions in risk assessment studies can take several days on local computers. To improve computational efficiency, we propose in this paper an orthogonal approach based on machine learning models to predict the size of damaged areas given a list of entry parameters. We train 5 machine learning methods and compare the predictions to the outputs of the PAIR model, first only with primitive entry condition variables, and then with more advanced features. We find that complex models like neural networks are well-suited to estimate blast hazards, while simpler linear models can accurately assess thermal damage. For both types of hazards, the radii of damaged areas can be predicted with around 10% average errors and a coefficient of determination (R2) of 0.99. The CPU time is decreased by a factor O(10 3 ) compared to the PAIR model, which enables the simulation of millions of scenarios in minutes, on a local computer. We then use the same machine learning approaches for a classification task where the models are trained to predict if an asteroid will produce a given level of damage. Results show that complex models like the gradient boosting classifier and the neural network can perform this task with 98% accuracy. Beyond surrogate models, we finally incorporate the machine learning algorithms to the state-of-the-art Shapley sensitivity analysis and present a ranking of the entry parameters based on their contributions to ground damages.

SMD↗

NASA NTRS2023

Automated Machine Learning to Evaluate the Information Content of Tropospheric Trace Gas Columns for Fine Particle Estimates Over India: A Modeling Testbed

India is largely devoid of high-quality and reliable on-the-ground measurements of fine particulate matter (PM 2.5 ). Ground-level PM 2.5 concentrations are estimated from publicly available satellite Aerosol Optical Depth (AOD) products combined with other information. Prior research has largely overlooked the possibility of gaining additional accuracy and insights into the sources of PM using satellite retrievals of tropospheric trace gas columns. We evaluate the information content of tropospheric trace gas columns for PM 2.5 estimates over India within a modeling testbed using an Automated Machine Learning (AutoML) approach, which selects from a menu of different machine learning tools based on the data set. We then quantify the relative information content of tropospheric trace gas columns, AOD, meteorological fields, and emissions for estimating PM 2.5 over four Indian sub-regions on daily and monthly time scales. Our findings suggest that, regardless of the specific machine learning model assumptions, incorporating trace gas modeled columns improves PM 2.5 estimates. We use the ranking scores produced from the AutoML algorithm and Spearman’s rank correlation to infer or link the possible relative importance of primary versus secondary sources of PM 2.5 as a first step toward estimating particle composition. Our comparison of AutoML-derived models to selected baseline machine learning models demonstrates that AutoML is at least as good as user-chosen models. The idealized pseudo-observations (chemical-transport model simulations) used in this work lay the groundwork for applying satellite retrievals of tropospheric trace gases to estimate fine particle concentrations in India and serve to illustrate the promise of AutoML applications in atmospheric and environmental research.

Machine learning↗

NASA NTRS2023

Aero-Engines AI - A Machine-Learning App for Aircraft Engine Concepts Assessment

Effective deployment of machine-learning (ML) models could drive a high level of efficiency in aircraft engine conceptual design. Aero-Engines AI is a user-friendly app that has been created to deploy trained machine-learning (ML) models to assess aircraft engine concepts. It was created using tkinter, a GUI (graphical user interface) module that is built into the standard Python library. Employing tkinter greatly facilitates the sharing of ML application as an executable file which can be run on Windows machines (without the need to have Python or any library installed). The app gets user input for a turbofan design, preprocesses the input data, and deploys trained ML models to predict turbofan thrust specific fuel consumption (TSFC), engine weight, core size, and turbomachinery stage-counts. The ML predictive models were built by employing supervised deep-learning and K-nearest neighbor regression algorithms to study patterns in an existing open-source database of production and research turbofan engines. They were trained, cross-validated, and tested in Keras, an open-source neural networks API (application programming interface) written in Python, with TensorFlow (Google open-source artificial intelligence library) serving as the backend engine. The smooth deployment of these ML models using the app shows that Aero-Engines AI is an easy-touse and a time-saving tool for aircraft engine design-space exploration during the conceptual design stage. Current version of the app focuses on the performance prediction of conventional turbofans. However, the scope of the app can easily be easily expanded to include other engine types (such as turboshaft and hybrid-electric systems) after their ML models are developed. Overall, the use of a machine-learning app for aircraft engine concept assessment represents a promising area of development in aircraft engine conceptual design.

machine learning↗

NASA NTRSDate not supplied

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗

NASA NTRSDate not supplied

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗

NASA NTRS2024

Transient Optimization of an Electrified Gas Turbine Engine Using Machine Learning

Gas turbine engines are designed with sufficient margin to prevent stall under normal operating conditions throughout their life. This compromise ensures that during rapid accelerations, compressor operation remains stable, but at the cost of efficiency and thrust responsiveness. The design margin encompasses multiple sources of uncertainty and systematic deviances from the operating line, the largest of which is the transient allowance. This set-aside accounts for the temporary incoordination of the engine spools during an acceleration while still enabling it to meet the certification requirement to accelerate from low to high power within a specified time, and without experiencing overtemperature, surge, stall, or other detrimental factors. Electrification of the powertrain provides the opportunity to address this reserve and truly optimize the design. The addition of electric machines inherent in hybrid propulsion concepts offers a means to interact with the engine shafts such that the necessary margin can be reduced, which can positively impact the engine design. By adjusting the amount of power extracted from or injected to the engine spools by the electric machines during transient operation, excursions from the operating line can be minimized. Past work using a dynamic engine model has shown that optimization of the fuel flow schedule during acceleration can reduce the required margin while still meeting the time requirement, and results are further improved when combined with power injection and extraction. The current work uses machine learning through a genetic algorithm to address the problem holistically by concurrently optimizing the electric machine power command and fuel flow acceleration schedule using an updated, higher fidelity version of the original engine model.

Stall Margin↗

DOE OSTI2024

Applying Machine‐Learning Methods to Laser Acceleration of Protons: Lessons Learned From Synthetic Data

ABSTRACT In this study, we consider three different machine‐learning methods—a three‐hidden‐layer neural network, support vector regression, and Gaussian process regression—and compare how well they can learn from a synthetic data set for proton acceleration in the Target Normal Sheath Acceleration regime. The synthetic data set was generated from a previously published theoretical model by Fuchs et al. 2005 that we modified. Once trained, these machine‐learning methods can assist with efforts to maximize the peak proton energy, or with the more general problem of configuring the laser system to produce a proton energy spectrum with desired characteristics. In our study, we focus on both the accuracy of the machine‐learning methods and the performance on one GPU including memory consumption. Although it is arguably the least sophisticated machine‐learning model we considered, support vector regression performed very well in our tests.

Desai, Ronak↗

DOE OSTI2025

Control of machining-induced residual stress via tool geometry and process parameter modification

Distortion generated in machined, monolithic, thin-walled aerospace components due to residual stresses leads to significant material and economic waste in the manufacturing industry. Inherent residual stress (IRS) present in stock materials combines with machining-induced residual stress (MIRS) to influence the final machined part distortion. It is hypothesized that MIRS can be controlled, based on the part geometry, through deliberate cutting tool geometry and process parameter modifications to negate the effect of IRS on distortion, consequently resulting in distortion-free parts. A finite element (FE) orthogonal cutting model is developed to study how tool geometry and process parameters influence machining-induced residual stress (MIRS). Orthogonal cutting experiments are performed on Al 7075-T651 samples to measure cutting forces and MIRS. A cutting force dynamometer is used to measure forces during cutting and a novel digital image correlation (DIC) based hole drilling technique is employed to measure the near-surface residual stress (RS) in the cut samples. These data are subsequently utilized to validate the FE prediction model. Various cases of cutting simulations involving different depths of cut, tool tip radii, and rake angles are performed to study their effects on RS. Similar to prior literature, increasing the depth of cut, tool tip radius, or rake angle is found to promote the formation of near-surface tensile stresses. The competing effects of material plowing and temperature are shown to determine the type of RS at the end of the cut. Moreover, a window of variation of RS (up to ± 400 MPa) is estimated within the given range of conditions, allowing for the control of MIRS through tool and process modification.

Mathews, Ritin [ORNL] (ORCID:0000000301440828)↗

DOE OSTI2024

Machine Learning Aided Modeling of Granular Materials: A Review

Artificial intelligence (AI) has become a buzzy word since Google’s AlphaGo beat a world champion in 2017. In the past five years, machine learning as a subset of the broader category of AI has obtained considerable attention in the research community of granular materials. This work offers a detailed review of the recent advances in machine learning-aided studies of granular materials from the particle-particle interaction at the grain level to the macroscopic simulations of granular flow. This work will start with the application of machine learning in the microscopic particle-particle interaction and associated contact models. Then, different neural networks for learning the constitutive behaviour of granular materials will be reviewed and compared. Finally, the macroscopic simulations of practical engineering or boundary value problems based on the combination of neural networks and numerical methods are discussed. We hope readers will have a clear idea of the development of machine learning-aided modelling of granular materials via this comprehensive review work.

42 ENGINEERING↗

DOE OSTI2025

Towards robust surrogate models: Benchmarking machine learning approaches to expediting phase field simulations of brittle fracture

Data-driven approaches have the potential to make modeling complex, nonlinear physical phenomena significantly more computationally tractable. For example, computational modeling of fracture is a core challenge where machine learning techniques have the potential to provide a much needed speedup that would enable progress in areas such as multi-scale modeling and uncertainty quantification. Currently, phase field modeling (PFM) of fracture is one such approach that offers a convenient variational formulation to model crack nucleation, branching and propagation. To date, machine learning techniques have shown promise in approximating PFM simulations. While standard fracture benchmarks represent realistic scenarios frequently observed in practice, they typically do not provide sufficiently challenging tests for data-driven methods. Here, to address this gap, we introduce a challenging dataset based on PFM simulations designed to benchmark and advance ML methods for fracture modeling. This dataset includes three energy decomposition methods, two boundary conditions, and 1000 random initial crack configurations for a total of 6000 simulations. Each sample contains 100 time steps capturing the temporal evolution of the crack field. Alongside this dataset, we also implement and evaluate Physics Informed Neural Networks (PINN), Fourier Neural Operators (FNO), and UNet models as baselines, and explore the impact of ensembling strategies on prediction accuracy. With this combination of our dataset and baseline models drawn from the literature we aim to provide a standardized and challenging benchmark for evaluating machine learning approaches to solid mechanics. Our results highlight both the promise and limitations of popular current models, and demonstrate the utility of this dataset as a testbed for advancing machine learning in fracture mechanics research.

Benchmark dataset↗

DOE OSTI2025

Machine learning enabled discovery of superhard and ultrahard carbon polymorphs

The demand for multifunctional materials has motivated the move from near-equilibrium materials to metastable i.e. out-of-equilibrium phases that can meet several desired target properties. The search for such metastable phases with exotic properties is non-trivial and often serendipitous. Inverse design approaches based on evolutionary search have been powerful tools, but such traditional searches have focused on identifying primarily stable and metastable materials with the lowest enthalpy. The inverse design of materials, with a focus on a desired property such as, for example, hardness is a challenging task because of the expensive computational cost involved in sampling multiple structures. The recent advances in machine learning have brought new powerful AI techniques to the forefront which can potentially revolutionize the inverse design and discovery of materials, especially metastable phases capable of meeting multifunctionality. Here, in this work, we develop and apply an automated reinforcement learning workflow for inverse design that integrates first principles physics and atomistic simulations with machine learning (ML), and high-performance computing to allow rapid exploration of the superhard and ultrahard metastable phases of Carbon. We demonstrate an automatic machine learning based inverse design workflow to map new undiscovered metastable states ranging from near equilibrium to those far-from-equilibrium that satisfy multiple property objectives, specifically bulk moduli, shear moduli and hardness. We create a comprehensive library of carbon stable and metastable phases with varying hardness and subsequently shortlist 10 top performing candidate carbon structures, including two newly reported phases, based on their hardness and characterize their temperature dependent mechanical properties. A neural network model is built using featurization of allotropes of carbon to predict the quasi-harmonic Gibbs free energies. The Gibbs free energies of the top performing phases are analyzed to get an estimate of the experimental synthesizability of these superhard and ultrahard carbon phases. In general, we show using machine learning based inverse design approaches how hitherto inaccessible metastable states can be identified and potentially synthesized to meet the demand for multifunctional materials.

Balasubramanian, Karthik [Univ. of Illinois, Chica↗

DOE OSTI2026

Rapid neutron and gamma-ray source localization using machine learning

Rapid localization of radiation sources is critical for applications including nuclear emergency response, safeguards, and security. However, conventional imaging systems such as neutron scatter cameras and Compton cameras depend on rare coincidence events, which often result in long acquisition times. In this work, we address the challenge of rapid source localization by developing a machine learning approach to predict the direction of a single radiation source using only count rates from an array of neutron and gamma-ray detectors. The proposed model is a fully connected neural network (FCNN) trained using Monte Carlo simulation data from a 252 Cf source. The model hyperparameters are optimized with a small set of routine 252 Cf measurements. We benchmarked the performance of the trained and optimized machine learning model using additional 252 Cf , 137 Cs , and PuBe measurements under laboratory conditions with varying source-detector configurations. For these measurements, the machine learning model achieved a mean localization error smaller than 30° with 3 x 10 3 system counts, corresponding to 8 s measurement time for the imaging system used in this work. In this low-statistics regime, the method outperformed traditional scatter-based imaging by more than 75% in localization accuracy for the evaluated measurement configurations. These results demonstrate that a machine learning-based approach can significantly reduce the time required for accurate single-source localization, providing a robust and computationally efficient alternative to traditional imaging systems in time-critical nuclear security and emergency response scenarios.

Gamma-ray imaging↗

DOE OSTI2024

Machine Learning a Simple Interpretable Short-Range Potential for Silica

A wide array of models, spanning from computationally expensive ab initio methods to a spectrum of force-field approaches, have been developed and employed to probe silica polymorphs and understand growth processes and atomic-level dynamical transitions in silica. However, the quest for a model capable of making accurate predictions with high computational efficiency for various silica polymorphs is still ongoing. Recent developments in short-range machine-learned models, such as GAP and NNPScan, have shown promise in providing reasonable descriptions of silica, but their computational cost remains high compared to force fields such as BKS which are based on simple interpretable functional forms. Here, in this study, we build on the recent success of our reinforcement learning (RL) workflow to derive a new set of optimal parameters for a promising short-range BKS-based model proposed by Soules. We use RL to navigate the eight-dimensional parameter space of the Soules potential using an experimental training data set that includes both local and global structural features from approximately 21 experimentally realized silica polymorphs, including high density phases and porous zeolites. We compare the performance of our machine-learned ML-Soules model with other high quality models including our recent machine-learned parametrization of BKS (ML-BKS), a machine-learned potential (GAP), as well as predictions of ab initio calculations with the highly fidelity SCAN functional. The ML-Soules accurately captures the relative energetic ordering of various polymorphs as well as their structural features at a significantly reduced computational expense. The ML-Soules model also reasonably captures the structure, density, and elastic constants of quartz, as well as metastable silica polymorphs. We further discuss the limitations of the Soules functional form and propose potential enhancements, including the incorporation of additional three-body terms and/or the utilization of different short-ranged functional forms to achieve greater accuracy for both global and local features in the modeling of silica while retaining low computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A robust synthetic data generation framework for machine learning in high-resolution transmission electron microscopy (HRTEM)

Machine learning techniques are attractive options for developing highly-accurate analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapid generation of complex nanoscale atomic structures which enables fast, systematic sampling of realistic nanomaterial structures and can be used as a random structure generator for large, diverse synthetic datasets. Using Construction Zone, we develop an end-to-end machine learning workflow for training neural network models to analyze experimental atomic resolution HRTEM images on the task of nanoparticle image segmentation purely with simulated databases. Further, we study the data curation process to understand how various aspects of the curated simulated data—including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions—affect model performance across three benchmark experimental HRTEM image datasets. Using our workflow, we are able to achieve state-of-the-art segmentation performance on these experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data. Construction Zone and its documentation are available at https://github.com/lerandc/construction_zone.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Learning together: Towards foundation models for machine learning interatomic potentials with meta-learning

Abstract The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable to leverage the plethora of data available as they require that each dataset be generated using the same QM method. Taking machine learning interatomic potentials (MLIPs) as an example, we show that meta-learning techniques, a recent advancement from the machine learning community, can be used to fit multiple levels of QM theory in the same training process. Meta-learning changes the training procedure to learn a representation that can be easily re-trained to new tasks with small amounts of data. We then demonstrate that meta-learning enables simultaneously training to multiple large organic molecule datasets. As a proof of concept, we examine the performance of a MLIP refit to a small drug-like molecule and show that pre-training potentials to multiple levels of theory with meta-learning improves performance. This difference in performance can be seen both in the reduced error and in the improved smoothness of the potential energy surface produced. We therefore show that meta-learning can utilize existing datasets with inconsistent QM levels of theory to produce models that are better at specializing to new datasets. This opens new routes for creating pre-trained, foundation models for interatomic potentials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Agricultural practices influence soil microbiome assembly and interactions at different depths identified by machine learning

Agricultural practices affect soil microbes which are critical to soil health and sustainable agriculture. To understand prokaryotic and fungal assembly under agricultural practices, we use machine learning-based methods. We show that fertility source is the most pronounced factor for microbial assembly especially for fungi, and its effect decreases with soil depths. Fertility source also shapes microbial co-occurrence patterns revealed by machine learning, leading to fungi-dominated modules sensitive to fertility down to 30 cm depth. Tillage affects soil microbiomes at 0-20 cm depth, enhancing dispersal and stochastic processes but potentially jeopardizing microbial interactions. Cover crop effects are less pronounced and lack depth-dependent patterns. Machine learning reveals that the impact of agricultural practices on microbial communities is multifaceted and highlights the role of fertility source over the soil depth. Machine learning overcomes the linear limitations of traditional methods and offers enhanced insights into the mechanisms underlying microbial assembly and distributions in agriculture soils.

60 APPLIED LIFE SCIENCES↗