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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Securing Vehicle Charging Infrastructure

As the US electrifies the transportation sector, cyber attacks targeting vehicle charging could bring consequences to electrical system infrastructure. This is a growing area of concern as charging stations increase power delivery and must communicate to a range of entities to authorize charging, sequence the charging process, and manage load (grid operators, vehicles, OEM vendors, charging network operators, etc.). The research challenges are numerous and are complicated because there are many end users, stakeholders, and software and equipment vendors interests involved. Poorly implemented electric vehicle supply equipment (EVSE), electric vehicle (EV), or grid communication system cybersecurity could be a significant risk to EV adoption because the political, social, and financial impact of cyberattacks - or public perception of such - ripples across the industry and has lasting and devastating effects. Unfortunately, there is no comprehensive EVSE cybersecurity approach and limited best practices have been adopted by the EV/EVSE industry. There is an incomplete industry understanding of the attack surface, interconnected assets, and unsecured interfaces. Thus, comprehensive cybersecurity recommendations founded on sound research are necessary to secure EV charging infrastructure. This project is providing the power, security, and automotive industry with a strong technical basis for securing this infrastructure by developing threat models, determining technology gaps, and identifying or developing effective countermeasures. Specifically, the team is creating a cybersecurity threat model and performing a technical risk assessment of EVSE assets, so that automotive, charging, and utility stakeholders can better protect customers, vehicles, and power systems in the face of new cyber threats.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Cybersecurity for Electric Vehicle Charging Infrastructure

As the U.S. electrifies the transportation sector, cyberattacks targeting vehicle charging could impact several critical infrastructure sectors including power systems, manufacturing, medical services, and agriculture. This is a growing area of concern as charging stations increase power delivery capabilities and must communicate to authorize charging, sequence the charging process, and manage load (grid operators, vehicles, OEM vendors, charging network operators, etc.). The research challenges are numerous and complicated because there are many end users, stakeholders, and software and equipment vendors interests involved. Poorly implemented electric vehicle supply equipment (EVSE), electric vehicle (EV), or grid operator communication systems could be a significant risk to EV adoption because the political, social, and financial impact of cyberattacks — or public perception of such — would ripple across the industry and produce lasting effects. Unfortunately, there is currently no comprehensive EVSE cybersecurity approach and limited best practices have been adopted by the EV/EVSE industry. There is an incomplete industry understanding of the attack surface, interconnected assets, and unsecured inter faces. Comprehensive cybersecurity recommendations founded on sound research are necessary to secure EV charging infrastructure. This project provided the power, security, and automotive industry with a strong technical basis for securing this infrastructure by developing threat models, determining technology gaps, and identifying or developing effective countermeasures. Specifically, the team created a cybersecurity threat model and performed a technical risk assessment of EVSE assets across multiple manufacturers and vendors, so that automotive, charging, and utility stakeholders could better protect customers, vehicles, and power systems in the face of new cyber threats.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Accelerating Hamiltonian Monte Carlo for Bayesian inference in neural networks and neural operators

Hamiltonian Monte Carlo (HMC) is a powerful and accurate method to sample from the posterior distribution in Bayesian inference. However, HMC techniques are computationally demanding for Bayesian neural networks due to the high dimensionality of the network’s parameter space and the non-convexity of their posterior distributions. Therefore, various approximation techniques, such as variational inference (VI) or stochastic gradient MCMC, are often employed to infer the posterior distribution of the network parameters. Such approximations introduce inaccuracies in the inferred distributions, resulting in unreliable uncertainty estimates. In this work, we propose a hybrid approach that combines inexpensive VI and accurate HMC methods to efficiently and accurately quantify uncertainties in neural networks and neural operators. The proposed approach leverages an initial VI training on the full network. We examine the influence of individual parameters on the prediction uncertainty, which shows that a large proportion of the parameters do not contribute substantially to uncertainty in the network predictions. This information is then used to significantly reduce the dimension of the parameter space, and HMC is performed only for the subset of network parameters that strongly influence prediction uncertainties. This yields a framework for accelerating the full batch HMC for posterior inference in neural networks. We demonstrate the efficiency and accuracy of the proposed framework on deep neural networks and operator networks, showing that inference can be performed for large networks with tens to hundreds of thousands of parameters. Finally, we show that this method can effectively learn surrogates for complex physical systems by modeling the operator that maps from upstream conditions to wall-pressure data on a cone in hypersonic flow.

Bayesian inference↗
DOE OSTI2022

Efficient Interdependent Systems Recovery Modeling with DeepONets

Modeling the recovery of interdependent critical infrastructure is a key component of quantifying and optimizing societal resilience to disruptive events. However, simulating the recovery of large-scale interdependent systems under random disruptive events is computationally expensive. Therefore, we propose the application of Deep Operator Networks (DeepONets) in this paper to accelerate the recovery modeling of interdependent systems. DeepONets are ML architectures which identify mathematical operators from data. The form of governing equations DeepONets identify and the governing equation of interdependent systems recovery model are similar. Therefore, we hypothesize that DeepONets can efficiently model the interdependent systems recovery with little training data. We applied DeepONets to a simple case of four interdependent systems with sixteen states. DeepONets, overall, performed satisfactorily in predicting the recovery of these interdependent systems for out of training sample data when compared to reference results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Fast and accurate reduced-order modeling of a MOOSE-based additive manufacturing model with operator learning

One predominant challenge in additive manufacturing (AM) is to achieve specific material properties by manipulating manufacturing process parameters during the runtime. Such manipulation tends to increase the computational load imposed on existing simulation tools employed in AM. The goal of the present work is to construct a fast and accurate reduced-order model (ROM) for an AM model developed within the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, ultimately reducing the time/cost of AM control and optimization processes. Our adoption of the operator learning (OL) approach enabled us to learn a family of differential equations produced by altering process variables in the laser’s Gaussian point heat source. More specifically, we used the Fourier neural operator (FNO) and deep operator network (DeepONet) to develop ROMs for time-dependent responses. Furthermore, we benchmarked the performance of these OL methods against a conventional deep neural network (DNN)-based ROM. Ultimately, we found that OL methods offer comparable performance and, in terms of accuracy and generalizability, even outperform DNN at predicting scalar model responses. The DNN-based ROM afforded the fastest training time. Furthermore, all the ROMs were faster than the original MOOSE model yet still provided accurate predictions. FNO had a smaller mean prediction error than DeepONet, with a larger variance for time-dependent responses. Unlike DNN, both FNO and DeepONet were able to simulate time series data without the need for dimensionality reduction techniques. Finally, the present work can help facilitate the AM optimization process by enabling faster execution of simulation tools while still preserving evaluation accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bi-fidelity modeling of uncertain and partially unknown systems using DeepONets

Recent advances in modeling large-scale, complex physical systems have shifted research focuses towards data-driven techniques. However, generating datasets by simulating complex systems can require significant computational resources. Similarly, acquiring experimental datasets can prove difficult. For these systems, often computationally inexpensive, but in general inaccurate models, known as the low-fidelity models, are available. Here in this paper, we propose a bi-fidelity modeling approach for complex physical systems, where we model the discrepancy between the true system's response and a low-fidelity response in the presence of a small training dataset from the true system's response using a deep operator network, a neural network architecture suitable for approximating nonlinear operators. We apply the approach to systems that have parametric uncertainty and are partially unknown. Three numerical examples are used to show the efficacy of the proposed approach to model uncertain and partially unknown physical systems.

MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Physics-informed machine learning of the correlation functions in bulk fluids

The Ornstein–Zernike (OZ) equation is the fundamental equation for pair correlation function computations in the modern integral equation theory for liquids. In this work, machine learning models, notably physics-informed neural networks and physics-informed neural operator networks, are explored to solve the OZ equation. The physics-informed machine learning models demonstrate great accuracy and high efficiency in solving the forward and inverse OZ problems of various bulk fluids. The results highlight the significant potential of physics-informed machine learning for applications in thermodynamic state theory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Computing Bottleneck Structures at Scale for High-Precision Network Performance Analysis

The Theory of Bottleneck Structures is a recently-developed framework for studying the performance of data networks. It describes how local perturbations in one part of the network propagate and interact with others. This framework is a powerful analytical tool that allows network operators to make accurate predictions about network behavior and thereby optimize performance. Previous work implemented a software package for bottleneck structure analysis, but applied it only to toy examples. In this work, we introduce the first software package capable of scaling bottleneck structure analysis to production-size networks. Here, we benchmark our system using logs from ESnet, the Department of Energy's high-performance data network that connects research institutions in the U.S. Using the previously published tool as a baseline, we demonstrate that our system achieves vastly improved performance, constructing the bottleneck structure graphs in 0.21 s and calculating link derivatives in 0.09 s on average. We also study the asymptotic complexity of our core algorithms, demonstrating good scaling properties and strong agreement with theoretical bounds. These results indicate that our new software package can maintain its fast performance when applied to even larger networks. They also show that our software is efficient enough to analyze rapidly changing networks in real time. Overall, we demonstrate the feasibility of applying bottleneck structure analysis to solve practical problems in large, real-world data networks.

benchmark↗
DOE OSTI2026

What do physics-informed DeepONets learn? Understanding and improving training for scientific computing applications

Physics-informed deep operator networks (DeepONets) have emerged as a promising approach toward numerically approximating the solution of partial differential equations (PDEs). In this work, we aim to develop further understanding of what is being learned by physics-informed DeepONets by assessing the universality of the extracted basis functions and demonstrating their potential toward model reduction with spectral methods. Results provide clarity about measuring the performance of a physics-informed DeepONet through the decays of singular values and expansion coefficients. In addition, we propose a transfer learning approach for improving training for physics-informed DeepONets between parameters of the same PDE as well as across different, but related, PDEs where these models struggle to train well. This approach results in significant error reduction and learned basis functions that are more effective in representing the solution of a PDE.

Deep operator networks↗
DOE OSTI2024

Sound propagation in realistic interactive 3D scenes with parameterized sources using deep neural operators

We address the challenge of acoustic simulations in three-dimensional (3D) virtual rooms with parametric source positions, which have applications in virtual/augmented reality, game audio, and spatial computing. The wave equation can fully describe wave phenomena such as diffraction and interference. However, conventional numerical discretization methods are computationally expensive when simulating hundreds of source and receiver positions, making simulations with parametric source positions impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with parametric source positions, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 to 0.10 Pa. Notably, our method signifies a paradigm shift as—to our knowledge—no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A Data Exchange Interface for a Standards Based Data Integration Platform

The modern electrical grid is a complex and a data rich system, requiring several sub-systems to provide the capability and support needed to perform functions such as distributed energy resource management, outage management, and fault location and isolation, to name a few. There is a need to develop software solutions and platforms that provide an integrated infrastructure to allow interoperability between these subsystems, while leveraging the abundant data available from today’s grid. In this paper, we present the development and deployment of an application service to integrate GridAPPS-D which is an open source, standards-based software platform with SurvalentONE, a commonly used DNP3 based ADMS platform that allows operation, monitoring, analysis, restoration, and optimization of network operations. We present details of the integration architecture, including its implementation, and provide results from functional testing of the architecture on a 13 bus IEEE system. The results validate that the integration is successful and is able to provide a two-way exchange of communication and translation between different communication protocols.

Singh, Alka↗
DOE OSTI2022

Beyond DERMS: Demonstration of Automated Grid Services, Mode Transition, and Resilience

This report describes the results of more advanced use cases including Ancillary Services, Black-sky-day operation, and Mode Switching from Phase 3 of the “Beyond DERMS” project aiming to build, deploy, and demonstrate a holistic platform that supports the integrated operation and planning of future power distribution networks with bi-directional power flows, many diverse distributed energy resources (DERs), and inverter-based resources. These test results demonstrated how a Beyond DERMS platform can fuse together AMI, SCADA, and DER data to provide a utility with deep insights into distribution network operations and planning, extending the value of DERMS and BTM DER resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗
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↗
DOE OSTI2025

Computationally efficient models for aqueous organic redox flow batteries

The rising usage of intermittent energy has garnered the need for large scale energy storage systems. Redox flow batteries (RFB) based energy storage system shows promising potential. Numerical simulations and machine learning approaches have been widely used to study RFB performance. The development of autonomous material discovery framework and digital twin of energy storage system usually needs to query cell performance through fast response models. In this study, two computationally efficient models are introduced: a physics-based analytical flow battery model (EZBattery), and a machine learning operator model (Deep Operator Network, denoted by DeepONet). Both models can provide cell performance near instantly, and prediction accuracy was systematically examined on an application of evaluating the performances of a 780 cm 2 aqueous organic redox flow battery (AORFB), using potential anolyte candidates in dihydroxyphenazine (DHP)-based family of organic materials. A validated computationally expansive 3-dimensional multi-physics finite element model by COMSOL was used as the ground truth and provided the training data set for the DeepONet. 1280 samples were generated with 10 properties to mimic the different possible anolyte candidates, and the cell performances were evaluated under 10 different combined operating conditions. The accuracy comparisons for the two computationally efficient models show that both models can provide comparable accuracy in predicting cell charging/discharging voltage curves. DeepONet can provide slightly higher overall accuracy than EZBattery with faster calculation speed, but highly relies on the training dataset. EZBattery does not need a training dataset and can provide interpretable physics-based explanations of the results, while being more flexible to adjust to adapt any different cell designs, flow battery architectures, and electrolyte materials.

Analytical model↗
DOE OSTI2022

Expediting DECam Multimessenger Counterpart Searches with Convolutional Neural Networks

Searches for counterparts to multimessenger events with optical imagers use difference imaging to detect new transient sources. However, even with existing artifact-detection algorithms, this process simultaneously returns several classes of false positives: false detections from poor-quality image subtractions, false detections from low signal-to-noise images, and detections of preexisting variable sources. Currently, human visual inspection to remove the false positives is a central part of multimessenger follow-up observations, but when next generation gravitational wave and neutrino detectors come online and increase the rate of multimessenger events, the visual inspection process will be prohibitively expensive. We approach this problem with two convolutional neural networks operating on the difference imaging outputs. The first network focuses on removing false detections and demonstrates an accuracy of 92% on our data set. The second network focuses on sorting all real detections by the probability of being a transient source within a host galaxy and distinguishes between various classes of images that previously required additional human inspection. We find the number of images requiring human inspection will decrease by a factor of 1.5 using our approach alone and a factor of 3.6 using our approach in combination with existing algorithms, facilitating rapid multimessenger counterpart identification by the astronomical community.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

QuTree: A tree tensor network package

Here we present QuTree, a C++ library for tree tensor network approaches. QuTree provides class structures for tensors, tensor trees, and related linear algebra functions that facilitate the fast development of tree tensor network approaches such as the multilayer multiconfigurational time-dependent Hartree approach or the density matrix renormalization group approach and its various extensions. We investigate the efficiency of relevant tensor and tensor network operations and show that the overhead for managing the network structure is negligible, even in cases with a million leaves and small tensors. QuTree focuses on providing simple, high-level routines while retaining easy access to the backend to facilitate novel developments. We demonstrate the capabilities of the package by computing the eigenstates of coupled harmonic oscillator Hamiltonians and performing random circuit simulations on a virtual quantum computer.

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

Cyclic Prefix Direct Sequence Spread Spectrum Capacity Analysis

Cyclic Prefix Direct Sequence Spread Spectrum (CP-DSSS) is a novel waveform that has the potential to solve 5G objectives such as ultra reliable low latency communication (URLLC) and massive machine Type Communication (mMTC). This paper analyzes the capacity of the CP-DSSS waveform in comparison with Orthogonal Frequency Domain Multiplexing OFDM). CP-DSSS can be optimized to achieve the same capacity as OFDM when optimized by the water-filling algorithm. A significant advantage for CP-DSSS is that this capacity can be achieved with all symbols being transmitted with the same effective rate. As a result, stronger forward error correction codes can be used in a CP-DSSS implementation compared to an OFDM implementation with resource block constraints. In addition, the applicability of CP-DSSS as a waveform for a secondary network operating in the same frequency band as the primary network is discussed.

5G and Beyond Communications↗
DOE OSTI2025

Optimizing the design and operation of water networks: Two decomposition approaches

We consider the design and operation of water networks simultaneously. Water network problems can be divided into two categories: the design problem and the operation problem. The design problem involves determining the appropriate pipe sizing and placements of pump stations, while the operation problem involves scheduling pump stations over multiple time periods to account for changes in supply and demand. Our focus is on networks that involve water co-produced with oil and gas. While solving the optimization formulation for such networks, we found that obtaining a primal (feasible) solution is more challenging than obtaining dual bounds using off-the-shelf mixed-integer nonlinear programming solvers. Therefore, we propose two methods to obtain good primal solutions. One method involves a decomposition framework that utilizes a convex reformulation, while the other is based on time decomposition. To test our proposed methods, we conduct computational experiments on a network derived from the PARETO case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗