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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Paw-Net: Stacking ensemble deep learning for segmenting scanning electron microscopy images of fine-grained shale samples

Segmentation of scanning electron microscopy (SEM) images is critical yet time-consuming for geological analyses, as it needs to differentiate the boundaries for different mineral objects to facilitate subsequent analyses, such as porosity calculation. Recently, various machine learning methods, especially convolutional neural networks (CNNs), have been explored to segment SEM images of fine-grained shale samples. However, we found that general CNNs do not yield optimal performance due to insufficient training data and imbalanced objects in SEM images. This work has revised the U-Net architecture, a popular approach for biomedical image analyses, by incorporating a loss function that addresses the imbalance issue. Furthermore, we used the ensemble learning method to train multiple models and combined the results to improve the overall performance of segmentation. We prepared 2162 sub-images from raw SEM images in our experiments and divided them into training, validation, and testing datasets. The overall results show that our method improves the average Intersection over Union (IOU) of mineral objects from 0.49 to 0.58, compared to the original U-Net model. Our method can clearly distinguish each object from others with boundaries, even in highly imbalanced images. Training our models takes less than three minutes using a single GPU, while manual labeling can take up to three hours for each image. Furthermore, the method helps geoscientists gain insights quickly and effectively by building neural network models from a small dataset of SEM images.

58 GEOSCIENCES↗
DOE OSTI2023

Mitigation of spatial nonstationarity with vision transformers

Spatial nonstationarity, the location variance of features’ statistical distributions, is ubiquitous in many natural settings. For example, in geological reservoirs rock matrix porosity varies vertically due to geomechanical compaction trends, in mineral deposits grades vary due to sedimentation and concentration processes, in hydrology rainfall varies due to the atmosphere and topography interactions, and in metallurgy crystalline structures vary due to differential cooling. Conventional geostatistical modeling workflows rely on the assumption of stationarity to be able to model spatial features for geostatistical inference. Nevertheless, this is often not a realistic assumption when dealing with nonstationary spatial data and this has motivated a variety of nonstationary spatial modeling workflows such as trend and residual decomposition, cosimulation with secondary features, and spatial segmentation and independent modeling over stationary subdomains. The advent of deep learning technologies has enabled new workflows for modeling spatial relationships. However, there is a paucity of demonstrated best practice and general guidance on mitigation of spatial nonstationarity with deep learning in the geospatial context. We demonstrate the impact of two common types of geostatistical spatial nonstationarity on deep learning model prediction performance and propose the mitigation of such impacts using self-attention (vision transformer) models. We demonstrate the utility of vision transformers for the mitigation of nonstationarity with relative errors as low as 10%, exceeding the performance of alternative deep learning methods such as convolutional neural networks. We establish best practice by demonstrating the ability of self-attention networks for modeling large-scale spatial relationships in the presence of commonly observed geospatial nonstationarity.

58 GEOSCIENCES↗
DOE OSTI2022

Automated processing of environmental transmission electron microscopy images for quantification of thin film dewetting and carbon nanotube nucleation dynamics

We report scalable production of carbon nanotubes (CNTs) requires catalysts and reaction conditions that provide high nucleation efficiency. In situ characterization methods such as environmental transmission electron microscopy (ETEM) can reveal fundamental mechanisms of synthesis, but to date have primarily provided qualitative observations on small sample sizes. Here, quantitative analysis is performed using high-resolution, high-rate video capture of ETEM experimentation coupled with automated image processing, involving computer vision algorithms and convolutional neural networks. By this approach, we detect distinct nanoparticle formation from an alumina-supported iron thin film and subsequent CNT nucleation from the nanoparticles. The statistical summary of particles in each video shows that, compared to a H 2 -only atmosphere, pretreatment of the catalyst with carbon added to the H 2 atmosphere results in a smaller average particle diameter, a 2-fold increase in particle density (to 5300 particles/μm 2 ), a 3-fold increase in CNT nucleation efficiency (to 92%), and more than a 5-fold increase in CNT density (to 4800/μm 2 ). Addition of carbon during exposure to H 2 is also more effective than NH 3 at dewetting the catalyst film and increasing the CNT nucleation efficiency, in spite of NH 3 being a stronger reducing agent for iron. Insights from this study are applicable to improving CNT yield and productivity in both batch-style and continuous processes.

25 ENERGY STORAGE↗
DOE OSTI2023

Denoising diffusion algorithm for inverse design of microstructures with fine-tuned nonlinear material properties

Here we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually denoise images and generate realistic synthetic samples. By learning the reverse of a Markov diffusion process, we design an artificial intelligence to efficiently manipulate the topology of microstructures to generate a massive number of prototypes that exhibit constitutive responses sufficiently close to designated nonlinear constitutive behaviors. To identify the subset of microcstructures with sufficiently precise fine-tuned properties, a convolutional neural network surrogate is trained to replace high-fidelity finite element simulations to filter out prototypes outside the admissible range. Results of this study indicate that the denoising diffusion process is capable of creating microstructures of fine-tuned nonlinear material properties within the latent space of the training data. More importantly, this denoising diffusion algorithm can be easily extended to incorporate additional topological and geometric modifications by introducing high-dimensional structures embedded in the latent space. Numerical experiments are conducted on the open-source mechanical MNIST data set (Lejeune, 2020). Consequently, this algorithm is not only capable of performing inverse design of nonlinear effective media, but also learns the nonlinear structure–property map to quantitatively understand the multiscale interplay among the geometry, topology, and their effective macroscopic properties.

42 ENGINEERING↗
DOE OSTI2024

Machine learning-guided design, synthesis, and characterization of atomically dispersed electrocatalysts

The recent integration of machine learning into materials design has revolutionized the understanding of structure–property relationships and optimization of material properties beyond the trial-and-error paradigm. On one hand, machine learning has significantly accelerated the development of atomically dispersed metal-nitrogen-carbon (M-N-C) electrocatalysts, which traditionally heavily relied on heuristic approaches. On the other hand, the primary challenge of leveraging machine learning to expedite M-N-C materials discovery lies in the cost associated with data collection. Here, we review recent machine learning integration strategies for M-N-C catalyst development, including discussions on the typical algorithms such as symbolic regression and convolutional neural networks employed for the theoretical design, synthesis optimization via active learning, and advanced microscopy characterization. Subsequently, we provide our perspective on potential near-future directions for furthering machine learning-assisted development of new M-N-C catalysts and elucidating the complex physicochemical mechanisms governing the selectivity, activity, and durability in this class of materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Topological analysis of X-ray CT data for the recognition and trending of subtle changes in microstructure under material aging

X-ray computed tomography (CT) is an established non-destructive tool for 3D imaging of multiphasic composites. Numerous applications of X-ray CT in medical diagnosis and materials characterization have been reported, many involving field-specific innovations in the imaging technology itself. Yet, quantitative summarization to link image features to properties of interest has been rare. Here we address this issue by employing state-of-the-art technics in scalar field topology for the summarization of X-ray CT images of an example biphasic system. By varying processing-parameters we create different microstructures, evolve them through accelerated thermal aging, CT-image them pre- and post-aged, and demonstrate the ability of our image summarization method to systematically track process- and age-related changes, which can often be very subtle. A novel aspect of the algorithm involves recognition over multiple resolution levels, which provides deeper insight into the pattern relationship between grain-like features and their neighbors. The method is general, adaptable to diverse image reconstruction methods and materials systems, and particularly useful in applications where practical constraints on the sample-size limits the reliable use of more complex models, e.g., convolutional neural networks.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deep learning approaches to semantic segmentation of fatigue cracking within cyclically loaded nickel superalloy

Improvements to synchrotron-based micro-computed tomography scanning capabilities have gifted researchers the ability to characterize 4D material thermomechanical responses more thoroughly than ever before. These advancements, however, have brought about new challenges in analyzing the resulting deluge of data. We report on a nickel-based superalloy specimen imaged 26 times in-situ during cyclic loading at Argonne National Laboratory Advanced Photon Source beamline 1ID, in order to monitor crack growth within the microstructure. Therefore, several deep learning approaches which utilize convolutional neural networks are implemented to segment crack features from reconstructed tomography scans. U-Net architecture implementations are found to be especially effective, achieving IoU = 0.995 +/- 0.004 and Matthews correlation coefficient scores of Φ = 0.826 +/- 0.085. These advancements broaden possibilities for scientists seeking to automate segmentation analyses of similar large datasets.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An algorithm for physics informed scan path optimization in additive manufacturing

Site specific microstructure control is a critical research area within the field of additive manufacturing due to its potential to revolutionize part performance. One way to achieve site specific microstructure control is through control of the solidification conditions via the construction of intricate scan paths; however, the search space for such a problem is large. Previous attempts only considered the solidification conditions at the top surface while also requiring either lots of manual-fine tuning or large amounts of computational resources. This paper introduces a general method for scan path optimization which considers the solidification conditions in the bulk of the material without an increase in computational expense. This method consists of three core components:1. A heat transfer model for simulating the temperature field at a given time.2. A surrogate model which takes scan pattern information and temperature data and predicts the solidification conditions of the bulk as well as the meltpool depths for a spot melt.3. A decision algorithm to decide which spot melt should be printed next based on the outputs of the surrogate model.Each of these components can be changed without changing the overall method. Within this work, this method is applied in the creation of an algorithm containing a semi-analytic heat transfer model to simulate the temperature field, a fully convolutional neural network (FCNN) as the surrogate model, and a greedy decision algorithm. The resulting algorithm produced complex scan patterns which gave strong results for simulated microstructure control.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bayesian SegNet for Semantic Segmentation with Improved Interpretation of Microstructural Evolution During Irradiation of Materials

Understanding the relationship between the evolution of microstructures of irradiated LiAlO2pellets and tritium diffusion, retention and release could improve predictions of tritium performance. Given expert-labeled segmented images of irradiated and unirradiated pellets, we trained Deep Convolutional Neural Networks to segment images into defect, grain, and boundary classes. Qualitative microstructural information was calculated from these segmented images to facilitate the comparison of unirradiated and irradiated pellets. We tested modifications to improve the sensitivity of the model, including incorporating meta-data into the model and utilizing uncertainty quantification. The predicted segmentation was similar to the expert-labeled segmentation for most methods of microstructural qualification, including pixel proportion, defect area, and defect density. Overall, the high performance metrics for the best models for both irradiated and unirradiated images shows that utilizing neural network models is a viable alternative to expert-labeled images.

Oostrom, Marjolein T.↗
DOE OSTI2024

The use of digital thread for reconstruction of local fiber orientation in a compression molded pin bracket via deep learning

A deep convolutional neural network (DCNN) was used for microstructure reconstruction using artificial intelligence (MR-AI) by predicting local average fiber orientation distributions (FOD) in a 3D prepreg platelet molded composite (PPMC) pin bracket. To train the MR-AI model, surface strain fields from residual stresses simulated in PPMC plates were used as the input to the DCNN. A training dataset included PPMC plates with various degrees of global fiber alignment, based on the information obtained from high-fidelity flow simulation of a pin bracket. Further, the MR-AI model was then deployed to analyze FOD in the 3D pin bracket by conducting thermo-elastic residual stress analysis. Initially, the MR-AI model was established entirely on the synthetic simulation data. Then, a μCT scan of a physically molded pin bracket was used to create a finite element model that provided data for additional validation of the DCNN model. For the μCT scan finite element pin bracket the MR-AI model predicted the distribution of fiber orientation tensor components with MAE of 0.10 indicating a global prediction error of 10%. For the flow simulated pin bracket, the MR-AI model predicted the distribution of fiber orientation tensor components with a global prediction error of 11%. The MR-AI model showed the ability to predict regions of varying alignment in the base and flange of the pin bracket. The proposed MR-AI methodology allows for rapid prediction of FOD in geometrically complex parts and offers a promising path to detecting unique fiber orientation states in molded components.

42 ENGINEERING↗
DOE OSTI2024

Multi deep learning-based stochastic microstructure reconstruction and high-fidelity micromechanics simulation of time-dependent ceramic matrix composite response

A multi deep learning-based framework is developed for efficient, automated microstructure reconstruction and generation of stochastic representative volume elements (SRVEs) with periodic boundary conditions (PBCs) for accurate modeling of ceramic matrix composite (CMC) response. The methodology comprises a convolutional neural network coupled with regression layers to act as a vanilla regression network for semantic segmentation of the microstructure, allowing accurate characterization of the phases and their distributions at the microscale. Scanning electron microscope and confocal microscope are used to obtain C/SiNC and SiC/SiNC CMCs micrographs for vanilla regression testing. Microstructure variability in terms of fiber volume fraction and porosity are quantified through the output regression layer, ensuring accurate representation of material variability in SRVE construction. Generative adversarial network (GAN) and its variants are designed to produce high-fidelity SRVE, spanning CMCs microstructure variability space. A circular padding algorithm is developed to generate SRVEs with PBCs during training of GANs. The accuracy of the generated SRVEs is established through micromechanics simulations, where an efficient formulation of the high-fidelity generalized methods of cells (HFGMC) approach is used to compute the effective mechanical properties. Furthermore, an iterative algorithm is implemented in the HFGMC solver to simulate time-dependent deformation of SiC/SiNC subjected to creep loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

De-noising drift chambers in CLAS12 using convolutional auto encoders

Modern Nuclear Physics experimental setups run experiments with higher beam intensity resulting in increased noise in detector components used for particle track reconstruction. Increased uncorrelated signals (noise) result in decreased particle reconstruction efficiency. In this paper, we investigate the usage of Machine Learning, specifically Convolutional Neural Network Auto-Encoders (CAE), for de-noising raw hits from drift chambers in the CLAS12 detector. To the best of our knowledge, this is the first time CAE is employed to perform such an operation in this field. During the de-noising phase, it is important to remove as much noise as possible while retaining the valid hits to avoid losing crucial information about the experiment. Here, we show that using CAE, it is possible to remove noise hits while retaining up to 94% of valid tracks for a beam current of 110nA while for lower beam currents (45-55nA), we get up to 98% efficiency. Studies on experimental conditions with increasing noise show that CAE performs better than conventional tracking algorithms in isolating hits belonging to tracks. Specifically, the de-noising algorithm results in tracking efficiency improvements greater than 15%, in real data production procedures with nominal conditions, and up to two times better efficiency in synthetically generated data with high luminosity conditions (90-110nA), indicating that machine learning can lead to significantly shorter times for conducting physics experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Using machine learning for particle track identification in the CLAS12 detector

Particle track reconstruction is the most computationally intensive process in nuclear physics experiments. Traditional algorithms use a combinatorial approach that exhaustively tests track measurements ("hits") to identify those that form an actual particle trajectory. In this article, we describe the development of four machine learning (ML) models that assist the tracking algorithm by identifying valid track candidates from the measurements in drift chambers. Several types of machine learning models were tested, including: Convolutional Neural Networks (CNN), Multi-Layer Perceptrons (MLP), Extremely Randomized Trees (ERT) and Recurrent Neural Networks (RNN). As a result of this work, an MLP network classifier was implemented as part of the CLAS12 reconstruction software to provide the tracking code with recommended track candidates. The resulting software achieved accuracy of greater than 99% and resulted in an end-to-end speedup of 35% compared to existing algorithms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Towards automated and real-time multi-object detection of anguilliform fishes from sonar data using YOLOv8 deep learning algorithm

Eels (Anguilla spp.), including American eels (Anguilla rostrata), European eels (Anguilla anguilla), and Japanese eels (Anguilla japonica), are species of critical management and regulatory concern due to their vulnerability to various stressors during downstream migrations. Accurate and efficient detection of migrating eels can improve our understanding of fish behaviors and fish-hydraulic structure interactions, thereby facilitating the design, operation, and optimization of more effective downstream passage facilities from both biological and economic perspectives. However, a real-time, automated framework for detecting migrating eels in real-world applications is currently lacking. Leveraging imaging sonar as a reliable technology for fish passage monitoring, field data are acquired using imaging sonar and then converted to single sonar frames/images for subsequent analysis. In this study, a framework based on the You Only Look Once Version 8 (YOLOv8)-based convolutional neural network is proposed for multi-object detection of eels and non-eel fish using the sonar images after image subtraction and additional wavelet denoising. The results from both training and testing phases demonstrate that the framework's ability can successfully detect both eels and non-eel fish in preprocessed sonar images, achieving F1-scores and mAP@0.50 exceeding 0.84. Additionally, the incorporation of wavelet denoising during preprocessing slightly improve detection performance. Furthermore, the transferability of this framework from eel to lamprey detection is demonstrated to be feasible given the similar morphological characteristics of these two species. Overall, the proposed framework achieves accurate and efficient detection of migrating eels, providing reliable and real-time information that can help conserve vulnerable eel and eel-like populations.

Deep learning↗
DOE OSTI2026

A hybrid CNN-LSTM surrogate model for hyper-resolution spatiotemporal flood forecasting in Norfolk, Virginia

Study region: Norfolk, Virginia, United States Study focus: Accurate and timely flood forecasting is essential for enhancing resilience in coastal urban areas in the context of increasing frequency and intensity of rainfall, sea level rise and urbanization. This study presents a hybrid deep learning-based surrogate model that integrates Convolutional Neural Networks (CNN) and Long Short-Term Memory (LSTM) networks to enable real-time spatiotemporal flood forecasting. The model leverages CNN to capture spatial features from inputs such as elevation and Topographic Wetness Index (TWI), while LSTM processes time-series inputs of rainfall and tide data to capture temporal features. New hydrologic insights for the region: The hybrid CNN-LSTM model was trained using the physics-based hydrodynamic model simulations obtained from the Two-dimensional Unsteady FLOW (TUFLOW) model for Norfolk, Virginia, and achieved high predictive accuracy across diverse flood-prone areas. The reduced computational time from four to six hours using TUFLOW to 3.2 min per event using CNN-LSTM enables rapid flood inundation mapping and early warning applications. The model effectively captured both spatial flood extents and their temporal evolution across different flooding scenarios, providing forecasts at a 2.5-m spatial resolution and 15-min temporal resolution and a one-hour-ahead prediction horizon. While challenges remain in terms of transferability to new regions and real-time data assimilation, this approach demonstrates strong potential for supporting operational flood risk management in coastal urban environments.

Coastal urban flooding↗
DOE OSTI2023

Building thermal dynamics modeling with deep transfer learning using a large residential smart thermostat dataset

Understanding thermal dynamics and obtaining the computational model of residential buildings enable its scaled application in energy retrofits, control optimization and decarbonization. In this paper, we present a deep learning approach to model building thermal dynamics with smart thermostat data collected from residential buildings, with the goal to investigate model generalizability. In the first stage, we developed and compared different Deep Learning architectures including Convolutional Neural Networks (CNN), Long Short-Term Memory (LSTM) models and CNN-LSTM to predict indoor air temperature in a multi-step time horizon. In the second stage, we implemented a Transfer Learning (TL) process, which aims to improve the prediction performance on a new set of buildings (targets), exploiting the knowledge of related or similar buildings (sources). Different TL strategies and source model identification methods were investigated. The study showed that the CNN-LSTM performed the best among the architectures compared, with an average Mean Absolute Error (MAE) of 0.26 °C for one-hour-ahead (twelve 5-min future steps) predictions. Furthermore, the results showed that freezing the LSTM layer and fine-tuning the other layers of the CNN-LSTM achieved the best performance among four TL strategies, which further improved the performance with respect to a machine learning approach by 10%, and proving the effectiveness and generalizability of the proposed approach. A comparison of three different source model identification methods showed that randomly selecting source models constrained by similar building characteristics can provide good TL performance while retaining simplicity comparing with other quantitative source identification methods.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Modeling the 4D discharge of lithium-ion batteries with a multiscale time-dependent deep learning framework

The lithium-ion battery (LIB) field is moving towards the direction of investigating spatially resolved physical phenomena in the 3D porous microstructure of electrodes. These pore-scale simulations give new insights into the local dynamics of lithiation/de-lithiation and charge transport, Nevertheless, the computational time of these simulations limits the integration of these models in optimization workflows of cycling conditions or electrode manufacturing processes. Machine learning models present a way of assessing in real-time the performance of materials. While several successful techniques for replicating simulations with machine learning have been proposed, this case study presents a more demanding problem, due to the necessity of understanding the behavior of heterogeneous 3D local data, as it evolves in time: this poses both a scientific and a technical challenge. To this end, we propose an autoregressive multiscale convolutional neural network model to predict relevant quantities at the pore-scale in the solid phase: the lithium concentration (in the active material) and potential (in the active material and carbon binder). Here, these are ultimately used to reconstruct the battery discharge curve. 3D images of the electrode microstructures are the input to the network, trained with a dataset of finite element method simulations to predict the discharge behavior of the cathode side in lithium ion batteries. We propose this machine learning model as a proof-of-concept of the applicability of multiscale networks for time-dependent physics problems. The trained model exhibits very high accuracy (with errors lower than 2 %) in forecasting the discharge behavior of new unseen cathodes.

25 ENERGY STORAGE↗