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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 sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Model-Free Probabilistic Forecasting of Nodal Voltages in Distribution Systems

As the penetration of distributed energy resources (DERs) into distribution systems increases, so does the interest in forecasting relevant system variables to help mitigate the associated challenges. One such challenge is the more frequent occurrence of excessive voltages in distribution systems with higher shares of DERs. Accurate and reliable estimates together with forecasts of system states (i.e., nodal voltages) will therefore play a key role in improving the utilization of these variable and uncertain sources while mitigating potential operational risks. Whilst recent literature has explored machine learning (ML) methods for voltage estimation and their extrapolation for a short-time period into the future, few have taken uncertainty quantification into account, and these methods have not yet been translated into operations. This paper discusses the advantages offered by probabilistic voltage forecasts and proposes a non-parametric Bayesian method suitable for forecasting nodal voltages at short-term time horizons while accounting for uncertainties in load and distributed photovoltaic (PV) generation. We demonstrate the value of the proposed Gaussian process (GP) model for a case study using historical forecasts and observation data.

distribution system↗
DOE OSTI2025

LATTE: open-source, high-performance traveltime computation, tomography and source location in acoustic and elastic media

Traveltime-based tomography and source location are fundamental approaches for imaging subsurface structures and understanding the spatiotemporal distribution of seismicity from local to global scales. We present an open-source, high-performance framework integrating eikonal equation solvers and adjoint-state theory for traveltime computation, velocity tomography, source location and joint tomography-location in 2-D/3-D acoustic and elastic media. We introduce novel regularization schemes based on total generalized p-variation, structural similarity and multitask machine learning to enhance the fidelity and interpretability of inverted models and source locations. Key features of our implementation also include the ability to leverage both absolute-difference and double-difference traveltime misfits for high-fidelity velocity tomography and source parameter estimation; support for traveltime computation and inversion in diverse 2-D/3-D scenarios with arbitrary source and receiver distributions; and a perturbation-based optimal step-size estimation method to reduce computational costs. In addition, our implementation employs shared-memory and distributed-memory parallelization to provide an efficient solution for traveltime computation, tomography, and source location. In conclusion, we validate the efficacy and accuracy of our approach through multiple synthetic data examples.

58 GEOSCIENCES↗
DOE OSTI2026

Data-Driven Voltage Regulation of Distribution Grid Using Nonlinear Autoregressive Model with Exogenous Inputs (NARX)

This article proposes data-driven control via a nonlinear autoregressive model with exogenous inputs (NARX) for real-time voltage regulation of a modified feeder using reactive power sources. Traditional voltage control strategies rely on rule-based heuristics or optimization techniques, which often require detailed system models and extensive computational resources. The NARX-based controller learns system dynamics from historical data and predicts optimal reactive power dispatch in real-time for voltage correction. The proposed approach is evaluated on a power system feeder model under varying load and network conditions. Simulation results demonstrate that the NARX-based controller achieves improved voltage regulation, offering higher adaptability to system fluctuations. This study highlights the potential of data-driven control for enhancing the reliability of power distribution networks.

Donge, Vrushabh [ORNL] (ORCID:0000000306062803)↗
DOE OSTI2020

Moving the Mission Forward with Renewable Energy

Presentation gives an overview of proven examples of renewable energy technologies. Learn how to properly utilize renewable energy technologies; research, select, fund, and deploy renewable technologies; best operate and maintain the federal government’s fleet of on-site solar photovoltaic (PV) systems; and learn best practices to detect and address performance issues with a PV system.

distributed energy↗
DOE OSTI2017

Precision and Accuracy in PDV and VISAR

This is a technical report discussing our current level of understanding of a wide and varying distribution of uncertainties in velocity results from Photonic Doppler Velocimetry in its application to gas gun experiments. Using propagation of errors methods with statistical averaging of photon number fluctuation in the detected photocurrent and subsequent addition of electronic recording noise, we learn that the velocity uncertainty in VISAR can be written in closed form. For PDV, the non-linear frequency transform and peak fitting methods employed make propagation of errors estimates notoriously more difficult to write down in closed form expect in the limit of constant velocity and low time resolution (large analysis-window width). An alternative method of error propagation in PDV is to use Monte Carlo methods with a simulation of the time domain signal based on results from the spectral domain. A key problem for Monte Carlo estimation for an experiment is a correct estimate of that portion of the time-domain noise associated with the peak-fitting region-of-interesting in the spectral domain. Using short-time Fourier transformation spectral analysis and working with the phase dependent real and imaginary parts allows removal of amplitude-noise cross terms that invariably show up when working with correlation-based methods or FFT power spectra. Estimation of the noise associated with a given spectral region of interest is then possible. At this level of progress, we learn that Monte Carlo trials with random recording noise and initial (uncontrolled) phase yields velocity uncertainties that are not as large as those observed. In a search for additional noise sources, a speckleinterference modulation contribution with off axis rays was investigated, and was found to add a velocity variation beyond that from the recording noise (due to random interference between off axis rays), but in our experiments the speckle modulation precision was not as important as the recording noise precision. But from these investigations we do appreciate that the velocity-uncertainty itself has a wide distribution of values that varies with signal-amplitude modulation (is not a single value). To provide a rough rule of thumb for the velocity uncertainty, we computed the average of the relative standard deviation distributions from 60 recorded traces (with distributions of uncertainties roughly between 0.1 % to 1 % in each trace) and found a mean of the distribution of uncertainties for our experiments is not better than 0.4 % at an analysis window width of 5 ns (although for brief intervals it can be as good as 0.1 %). Further imagination and testing may be needed to reveal other possible hydrodynamics-related sources of velocity error in PDV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Building a Wide-Area File Transfer Performance Predictor: An Empirical Study

Wide-area data transfer is central to geographically distributed scientific workflows. Faster delivery of data is important for these workflows. Predictability is equally (or even more) important. With the goal of providing a reasonably accurate estimate of data transfer time to improve resource allocation & scheduling for workflows and enable end-to-end data transfer optimization, we apply machine learning methods to develop predictive models for data transfer times over a variety of wide area networks. To build and evaluate these models, we use 201,388 transfers, involving 759 million files totaling 9 PB transferred, over 115 heavily used source-destination pairs (“edges”) between 135 unique endpoints. We evaluate the models for different retraining frequencies and different window size of history data. In the best case, the resulting models have a median prediction error of ≤21% for 50% of the edges, and ≤32% for 75% of the edges. We present a detailed analysis of these results that provides insights into the cause of some of the high errors. We envision that the performance predictor will be informative for scheduling geo-distributed workflows. The insights also suggest obvious directions for both further analysis and transfer service optimization.

Liu, Zhengchun↗
DOE OSTI2026

Dynamic Validation of CNN-Based Surrogate Models for Inverter-Based Resources in Open-Source Solvers

Traditionally, distribution system planning has focused on steady-state analyses, with limited consideration of dynamic behavior. However, as large or medium-scale inverter-based resources (IBRs), particularly grid-following (GFL) inverters in commercial or industry buildings, become more prevalent, understanding their dynamic impact is essential for grid planning and operation. This article presents an innovative deep-learning (DL)-approach using convolutional neural networks technique to model the GFL inverters. Developed from real grid-tied commercial IBR transient data, these dynamic DL models overcome proprietary constraints by requiring minimal knowledge of internal converter physics while maintaining high accuracy and flexibility. To demonstrate their applicability, the models were incorporated into GridLAB-D, an open-source, three-phase distribution analysis tool. This integration enables dynamic simulations of large-scale distribution networks with high IBR penetration stability analysis. Rigorous testing and validation, aligned with industry standards, confirmed the reliability and efficiency of this approach, paving the way for enhanced planning and operational assessments of modern power systems.

Deep-learning↗
DOE OSTI2025

Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the boundaries of graph neural network (GNN) computations in both training scale and data diversity. It abstracts over message passing algorithms, allowing both reproduction of and comparison across algorithmic innovations that define nearest-neighbor convolution in GNNs. This work discusses a series of optimizations that have allowed scaling up the GFMs training to tens of thousands of GPUs on datasets consisting of hundreds of millions of graphs. Our GFMs use multitask learning (MTL) to simultaneously learn graph-level and node-level properties of atomistic structures, such as energy and atomic forces. Using over 154 million atomistic structures for training, we illustrate the performance of our approach along with the lessons learned on two state-of-the-art US Department of Energy (US-DOE) supercomputers, namely the Perlmutter petascale system at the National Energy Research Scientific Computing Center and the Frontier exascale system at Oak Ridge Leadership Computing Facility. The HydraGNN architecture enables the GFM to achieve near-linear strong scaling performance using more than 2000 GPUs on Perlmutter and 16,000 GPUs on Frontier.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Database development and exploration of process–microstructure relationships using variational autoencoders

The paper demonstrates graphical representation of a large database containing process–microstructure relationships using an unsupervised machine learning algorithm. Correlating microstructural features to processing is an essential first step to answer the difficult problem of process sequence design. Here, a large database of 346,200 orientation distribution functions resulting from a variety of process sequences is constructed, where each sequence comprises up to four stages of tension, compression and rolling along different directions in various permutations. This open-source database is constructed for collaborative development of process design algorithms. The paper demonstrates a novel application of the large database: graphical representation of texture–process relationships. A variational autoencoder is used to reduce the entire database to a two dimensional latent space where variations in processes and properties can be visualized. Using proximity analysis in this latent space, we can quickly unearth multiple process solutions to the problem of texture or property design.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Multiscale modelling of the phénix dissymmetric test benchmark

The Phenix sodium-cooled fast reactor contains two pools in which characteristic 3D effects like thermal stratification and jets play a significant role. One of the two active heat exchanger sets fails in the dissymmetric test, leading to changes in the thermal stratification and asymmetric conditions in the reactor. Therefore 3D modelling using Computational Fluid Dynamics codes (CFD) is required to model this transient in sufficient detail. However, several aspects of the reactor, like the core and the secondary side of the heat exchanger, can be modelled more efficiently by System Thermal-Hydraulics codes (STH). Therefore multiscale models are developed by coupling CFD and STH codes, exploiting the strengths of both codes in terms of modelling options and computational costs. The results provide insight in the local flow patterns and the temperature distribution during the dissymmetric transient. The results and modelling choices of the participants are compared in this paper and the main findings are discussed in the light of lessons learned from the blind phase of the benchmark and providing recommendations for future modelling of pool-type liquid metal-cooled reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Selecting XFEL single-particle snapshots by geometric machine learning

A promising new route for structural biology is single-particle imaging with an X-ray Free-Electron Laser (XFEL). This method has the advantage that the samples do not require crystallization and can be examined at room temperature. However, high-resolution structures can only be obtained from a sufficiently large number of diffraction patterns of individual molecules, so-called single particles. Here, we present a method that allows for efficient identification of single particles in very large XFEL datasets, operates at low signal levels, and is tolerant to background. This method uses supervised Geometric Machine Learning (GML) to extract low-dimensional feature vectors from a training dataset, fuse test datasets into the feature space of training datasets, and separate the data into binary distributions of “single particles” and “non-single particles.” As a proof of principle, we tested simulated and experimental datasets of the Coliphage PR772 virus. We created a training dataset and classified three types of test datasets: First, a noise-free simulated test dataset, which gave near perfect separation. Second, simulated test datasets that were modified to reflect different levels of photon counts and background noise. These modified datasets were used to quantify the predictive limits of our approach. Third, an experimental dataset collected at the Stanford Linear Accelerator Center. The single-particle identification for this experimental dataset was compared with previously published results and it was found that GML covers a wide photon-count range, outperforming other single-particle identification methods. Moreover, a major advantage of GML is its ability to retrieve single particles in the presence of structural variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

WaveDenoiser

We developed a robust deep learning model to effectively reduce background noise in the time domain from seismic waveforms. The deep learning model processes a 57-second three-component seismogram to predict and generate a denoised seismogram. The training was conducted using the benchmark STEAD dataset, which comprises globally distributed earthquake signals recorded at local distances ranging from 0 to 350 kilometers.

Chai, Chengping [Oak Ridge National Laboratory (OR↗
DOE OSTI2021

MST e-News (Spring 2021)

It has been a year of managing our work and deliverables while working to mitigate for the COVID hazard. I am pleased to say that because of your hard work, we have been able to achieve many of our deliverables, while learning how to adjust our work for COVID best practices. I know it hasn’t been easy and all of us are tired, but vaccines are starting to be distributed, at an enhanced cadence both by the State and the Lab. And I think this will help as we consider our future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Ensuring Workforce Readiness for the Energy Industry Through 3D Simulations

In February 2009, during his joint address to Congress, President Obama challenged every American to commit to at least one year of college education and set a goal that the United States should once again have the highest proportion of college graduates in the world by the year 2020. This push by the Obama administration reflected the understanding that while a college degree was becoming a prerequisite to obtain many of the jobs in the 21. century economy; the United States still lagged behind other countries with respect to higher education attainment. Because of this, the U.S. is facing a skills gap between the credentials required for the jobs of today and tomorrow, and the number of skilled workers eligible to fill those jobs. Within the energy industry, the skills gap is compounded by two factors: an expanding domestic industry in energy generation and transmission, and an aging workforce set to retire in large numbers. In fact, a 2013 survey administered by Center for Energy Workforce Development (CEWD) estimates that 36% of the workforce may need to be replaced in the next five years, and nearly 50% will need to be replaced by the year 2023. As a 2014 report by CEWD notes, 'The message for workforce development is clear: qualified and skilled utility technicians and engineers will continue to be in high demand in all types of energy generation, transmission, and distribution jobs'. Simulations provide students the ability to practice proper procedure in a safe environment, test out multiple scenarios to determine an optimal outcome, and repeat practice to solidify learning. Industry currently applies simulation (i.e., 3D Electrical Substation Simulation) as it affords an opportunity for technicians to train in a safe, virtual environment, thus eliminating risks associated with arc flash hazards. The intent of 3D simulation is to enhance the students' understanding of the concepts learned in the course and better prepare students for field work in a related technical discipline. The 3D simulation will reinforce the concepts learned during a specific course and are intended to add real world context to the curriculum. The 3D simulation will be designed such that a student will perform specific job activities incorporating concepts learned during the course. This method of instruction ensures students have an understanding of the concepts and are able to apply the concepts in a real world context. Different scenarios will be developed to ensure a thorough understanding of the concepts with real time feedback when there is a misunderstanding of the concepts. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

DLHub: Simplifying publication, discovery, and use of machine learning models in science

Machine Learning (ML) has become a critical tool enabling new methods of analysis and driving deeper understanding of phenomena across scientific disciplines. There is a growing need for "learning systems" to support various phases in the ML lifecycle. While others have focused on supporting model development, training, and inference, few have focused on the unique challenges inherent in science, such as the need to publish and share models and to serve them on a range of available computing resources. In this paper, we present the Data and Learning Hub for science (DLHub), a learning system designed to support these use cases. Specifically, DLHub enables publication of models, with descriptive metadata, persistent identifiers, and flexible access control. It packages arbitrary models into portable servable containers, and enables low-latency, distributed serving of these models on heterogeneous compute resources. In this work, we show that DLHub supports low-latency model inference comparable to other model serving systems including TensorFlow Serving, SageMaker, and Clipper, and improved performance, by up to 95%, with batching and memoization enabled. We also show that DLHub can scale to concurrently serve models on 500 containers. Finally, we describe five case studies that highlight the use of DLHub for scientific applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Convolutional Neural Network-Based Protection-Zone Classification of Faults in Distribution Feeders with Photovoltaics.

Fault detection and isolation is critical for reliable operation of distribution systems. The ride-through requirements for the distributed energy resources (DER), mandated by the IEEE 1547-2018 standard, makes it challenging to use undervoltage (UV) conditions for fault detection. In addition, with low fault current contribution from these inverter-based DERs, the time-overcurrent relays are also less effective. Thus motivated, this paper presents a learning-based approach for fault detection and localization. A convolutional neural network (CNN)-based model is proposed which uses local voltage and current waveforms from DER locations and feeder substations, for training a zonal classifier. The classifier can be adopted into any relay-like device for discriminating between faults originating from different protection zones. The performance of the proposed approach was tested on publicly available test feeders with distributed photovoltaics (PVs).

Fault localization, convolutional neural networks,↗
DOE OSTI2025

Karhunen–Loève deep learning method for surrogate modeling and approximate Bayesian parameter estimation

We evaluate the performance of the Karhunen-Loève Deep Neural Network (KL-DNN) framework for surrogate modeling and approximate Bayesian parameter estimation in partial differential equation models. In the surrogate model, the Karhunen-Loève (KL) expansions are used for the dimensionality reduction of the number of unknown parameters and variables, and a deep neural network is employed to relate the reduced space of parameters to that of the state variables. The KL-DNN surrogate model is used to formulate a maximum-a-posteriori-like least-squares problem, which is randomized to draw samples of the posterior distribution of the parameters. We test the proposed framework for a hypothetical unconfined aquifer via comparison with the forward MODFLOW and inverse PEST++ iterative ensemble smoother (IES) solutions as well as the state-of-the-art Fourier neural operator (FNO) and deep operator networks (DeepONets) operator learning surrogate models. Our results show that the KL-DNN surrogate model outperforms FNO and DeepONet for forward predictions. For solving inverse problems, the randomized algorithm provides the same or more accurate Bayesian predictions of the parameters than IES as evidenced by the higher log-predictive probability of both the estimated parameter field and the forecast hydraulic head. The posterior mean obtained from the randomized algorithm is closer to the reference parameter field than that obtained with FNO as the maximum a posteriori estimate.

Approximate Bayesian inference↗