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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Epistemology of voltage control in DER-rich power system

Despite the recent development of several scalable, robust, and resilient control approaches with superior convergence properties considering an increasing penetration of distributed energy resources (DERs), cognitive oversights often simplify several aspects of the cyber–physical power system in the controller development. Here, following the identification of the limitations of classical controller definitions, we justify alternative definitions of voltage control approaches classifiers considering three inter-disciplinary domains: (i) power system, (ii) optimization and decision-making, and (iii) networking and cyber-security, to develop a taxonomy for helping in real-world comparative performance analysis and deployability of these controllers. We observe that classical and introduced domain-based definitions together can better classify the control algorithms.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Polystyrene sulfonate (PSS) stabilized polyethylenimine (PEI) membranes fabricated by spray coating for highly effective CO 2 /N 2 separation

Greenhouse effect, largely caused by CO 2 emission, has become a major concern for global climate change. Post-combustion CO 2 capture is one of the critical strategies to mitigate this issue. Membrane technology for carbon capture has drawn significant attention because of the cost and energy efficiency and scalability. Many membranes for CO 2 capture are limited by the trade-off between CO 2 permeability and CO 2 /N 2 selectivity and the long-term stability under practical operating conditions. Facilitated transport membranes with efficient CO 2 carriers have demonstrated potential to surpass the permeability-selectivity trade-off, but these carriers are often lost under operational conditions. In this work, we designed and fabricated a polystyrene sulfonate (PSS) stabilized polyethylenimine (PEI) membrane by a facile and scalable spray-coating method. The deposited defect-free selective layer, in which the amine carriers in PEI can be stabilized electrostatically by PSS, exhibited superior CO 2 separation performance with good long-term stability under practical operating conditions. The separation performance was optimized by spray-coating cycles, CNT network loading, and PSS loading. Our membrane showed CO 2 permeance ranging from 820 to 1,770 GPU and CO 2 /N 2 selectivity varying from 395 to 460 under vacuum operation mode in the temperature range between 80 and 90 °C. Furthermore, the membrane was successfully scaled up to 200 cm 2 with good uniformity. These results might suggest a novel membrane structure and a scalable approach for fabrication of highly efficient CO 2 separation membranes.

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

Multiprincipal Component P2-Na 0.6 (Ti 0.2 Mn 0.2 Co 0.2 Ni 0.2 Ru 0.2 )O 2 as a High-Rate Cathode for Sodium-Ion Batteries

Mixing transition metal cations in nearly equiatomic proportions in layered oxide cathode materials is a new strategy for improving the performances of Na-ion batteries. The mixing of cations not only offers entropic stabilization of the crystal structure but also benefits the diffusion of Na ions with tuned diffusion activation energy barriers. In light of this strategy, a high-rate Na 0.6 (Ti 0.2 Mn 0.2 Co 0.2 Ni 0.2 Ru 0.2 )O 2 cathode was designed, synthesized, and investigated, combining graph-based deep learning calculations and complementary experimental characterizations. This new cathode material delivers high discharge capacities of 164 mA g –1 at 0.1 C and 68 mAh g –1 at a very high rate of 86 C, demonstrating an outstanding high rate capability. Ex situ and operando synchrotron X-ray diffraction were used to reveal the detailed structural evolution of the cathode upon cycling. Using the climbing-image nudged elastic-band calculation and Ab initio molecular dynamics simulations, we show that the optimal transition metal composition enables a percolating network of low barrier pathways for fast, macroscopic Na diffusion, resulting in the observed high rate performance.

25 ENERGY STORAGE↗
DOE OSTI2025

A framework to evaluate machine learning crystal stability predictions

The rapid adoption of machine learning in various scientific domains calls for the development of best practices and community agreed-upon benchmarking tasks and metrics. We present Matbench Discovery as an example evaluation framework for machine learning energy models, here applied as pre-filters to first-principles computed data in a high-throughput search for stable inorganic crystals. We address the disconnect between (1) thermodynamic stability and formation energy and (2) retrospective and prospective benchmarking for materials discovery. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with adaptive user-defined weighting of various performance metrics allowing researchers to prioritize the metrics they value most. To answer the question of which machine learning methodology performs best at materials discovery, our initial release includes random forests, graph neural networks, one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials. We highlight a misalignment between commonly used regression metrics and more task-relevant classification metrics for materials discovery. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV per atom above the convex hull. The benchmark results demonstrate that universal interatomic potentials have advanced sufficiently to effectively and cheaply pre-screen thermodynamic stable hypothetical materials in future expansions of high-throughput materials databases.

Riebesell, Janosh↗
DOE OSTI2021

Rapid 3D nanoscale coherent imaging via physics-aware deep learning

Phase retrieval, the problem of recovering lost phase information from measured intensity alone, is an inverse problem that is widely faced in various imaging modalities ranging from astronomy to nanoscale imaging. The current process of phase recovery is iterative in nature. As a result, the image formation is time consuming and computationally expensive, precluding real-time imaging. Here, we use 3D nanoscale X-ray imaging as a representative example to develop a deep learning model to address this phase retrieval problem. We introduce 3D-CDI-NN, a deep convolutional neural network and differential programing framework trained to predict 3D structure and strain, solely from input 3D X-ray coherent scattering data. Our networks are designed to be “physics-aware” in multiple aspects; in that the physics of the X-ray scattering process is explicitly enforced in the training of the network, and the training data are drawn from atomistic simulations that are representative of the physics of the material. We further refine the neural network prediction through a physics-based optimization procedure to enable maximum accuracy at lowest computational cost. 3D-CDI-NN can invert a 3D coherent diffraction pattern to real-space structure and strain hundreds of times faster than traditional iterative phase retrieval methods. Our integrated machine learning and differential programing solution to the phase retrieval problem is broadly applicable across inverse problems in other application areas.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Enhancing Power Distribution System Resilience with Fusion-GNN: A Dynamic Graph Representation Learning Approach

This paper explores the applications of Fusion Graph Neural Network (FuGNN) on power distribution systems. FuGNN effectively models dynamic networks with evolving topology and features. Applied to power system network reconfiguration, FuGNN demonstrates its feasibility in optimizing switch configurations to minimize unserved loads and operational costs during extreme events. Additionally, FuGNN supports various downstream tasks, such as node feature prediction, further enhancing its versatility and applicability in power system resilience.

Liu, Boming↗
DOE OSTI2024

Applications of Lifted Nonlinear Cuts to Convex Relaxations of the AC Power Flow Equations

Here, we demonstrate that valid inequalities, or lifted nonlinear cuts (LNC), can be projected to tighten the Second Order Cone (SOC), Convex DistFlow (CDF), and Network Flow (NF) relaxations of the AC Optimal Power Flow (AC-OPF) problem. We conduct experiments on 38 cases from the PGLib-OPF library, showing that the LNC strengthen the SOC and CDF relaxations in 100% of the test cases, with average and maximum differences in the optimality gaps of 6.2% and 17.5% respectively. The NF relaxation is strengthened in 46.2% of test cases, with average and maximum differences in the optimality gaps of 1.3% and 17.3% respectively. We also study the trade-off between relaxation quality and solve time, demonstrating that the strengthened CDF relaxation outperforms the strengthened SOC formulation in terms of runtime and number of iterations needed, while the strengthened NF formulation is the most scalable with the lowest relaxation quality improvement due to these LNC.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

A Bilevel Voltage Regulation Operation for Distribution Systems With Self-Operated Microgrids

The emerging of microgrids in distribution systems has significantly enhanced the resilience of power grids. However, the operators of a distribution system and microgrids therein can be different and have accessibility to different devices. To model the operation of such a grid, this work proposes a bilevel formulation and probes into the voltage regulation operation, considering the interaction between different systems. The proposed bilevel formulation considers the cooperation of active energy resources (AER), transformer tap-changers, and capacitor banks that are controlled by different operators. To facilitate the solution time of the target bilevel optimization, the lower-level problems with different objectives are modeled using deep neural networks (DNNs) which are then converted into a set of constraints. Hence, the bilevel problem can be reformed to a single-level problem. Lastly, the proposed solution procedures are validated using a customized joint system constructed by the IEEE 123-bus system and a real distribution system in Iowa. According to the numerical validation results, the solution time of the proposed nonlinear activation function based DNN model is 69 times faster than other methods in solving voltage regulation with a bilevel structure.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

ASAP: Automatic Synthesis of Area-Efficient and Precision-Aware CGRAs

Coarse-grained reconfigurable accelerators (CGRAs) are a promising accelerator design choice that strikes a balance between performance and adaptability to different computing patterns across various applications domains. Designing a CGRA for a specific application domain involves enormous software/hardware engineering effort. Recent research works explore loop transformations, functional unit types, network topology, and memory size to identify optimal CGRA designs given a set of kernels from a specific application do- main. Unfortunately, the impact of functional units with different precision support has rarely been investigated. To address this gap, we propose ASAP – a hardware/software co-design framework that automatically identifies and synthesizes optimal precision-aware CGRA for a set of applications of interest. Our evaluation shows that ASAP generates specialized designs 3.2×, 4.21×, and 5.8× more efficient (in terms of performance per unit of energy or area) than non-specialized homogeneous CGRAs, for the scientific computing, embedded, and edge machine learning domains, respectively, with limited accuracy loss. Moreover, ASAP provides more efficient designs than other state-of-the-art synthesis frameworks for specialized CGRAs.

artificial intelligence↗
DOE OSTI2025

Demonstration of Utility Managed Smart Charging for Multiple Benefit Streams (Final Report)

In the summer of 2020, the U.S. Department of Energy (DOE) awarded funding to Exelon’s Maryland utilities—Baltimore Gas and Electric (BGE), Delmarva Power & Light (DPL), and Potomac Electric Power Company (Pepco)—to implement the Smart Charge Management (SCM) pilot. This initiative aimed to design and implement managed electric vehicle (EV) charging strategies, evaluate the grid impacts of EV charging, and assess the utilities' ability to control EV load based on real-time grid conditions. The SCM pilot explored four aspects for continued improvement: (1) cybersecurity and managed charging functionality testing of two vendor platforms—WeaveGrid (telematics-based) and Shell Recharge Solutions (network-based)—which pursued charge scheduling and optimization through distinct approaches; (2) an analysis by Argonne National Laboratory (ANL) modeling team of three potential SCM enrollment scenarios within BGE and Pepco service territories over the next decade to assess future scalability; (3) employing customer engagement strategies, including surveys and a responsive pricing approach; and (4) the launch and implementation of pilots in Exelon’s Maryland territories in collaboration with WeaveGrid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

DistOPF: Advanced Solutions for Distribution Optimal Power Flow Analysis - DistOPF v0.2 Documentation

To achieve an affordable and reliable energy system, research on power distribution system is often focused on integration of distributed generators, energy storage solution, EV charging, smart meters, and other advanced assets that may benefit from or require more advanced control and optimization techniques. Despite this focus on advanced distribution system topics, early researchers and grid scientists often start from scratch when developing optimization programs for power distribution systems. This report introduces DistOPF, a Python package that consolidates years of research into a versatile and modular tool. DistOPF provides researchers with essential capabilities to solve distribution system Optimal Power Flow (OPF) problems using standard network models. Additionally, it offers a platform to benchmark both new and existing algorithms against established test systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Likeness: a toolkit for connecting the social fabric of place to human dynamics

The ability to produce richly-attributed synthetic populations is key for understanding human dynamics, responding to emergencies, and preparing for future events, all while protecting individual privacy. The Likeness toolkit accomplishes these goals with a suite of Python packages: pymedm/pymedm\_legacy, livelike, and actlike. This production process is initialized in pymedm (or pymedm\_legacy) that utilizes census microdata records as the foundation on which disaggregated spatial allocation matrices are built. The next step, performed by livelike, is the generation of a fully autonomous agent population attributed with hundreds of demographic census variables. The agent population synthesized in livelike is then attributed with residential coordinates in actlike based on block assignment and, finally, allocated to an optimal daytime activity location via the street network. We present a case study in Knox County, Tennessee, synthesizing 30 populations of public K–12 school students \& teachers and allocating them to schools. Validation of our results shows they are highly promising by replicating reported school enrollment and teacher capacity with a high degree of fidelity.

Tuccillo, Joe↗
DOE OSTI2024

Mechanisms of Action of Dorsal Root Ganglion Stimulation

The dorsal root ganglion (DRG) serves as a pivotal site for managing chronic pain through dorsal root ganglion stimulation (DRG-S). In recent years, the DRG-S has emerged as an attractive modality in the armamentarium of neuromodulation therapy due to its accessibility and efficacy in alleviating chronic pain refractory to conventional treatments. Despite its therapeutic advantages, the precise mechanisms underlying DRG-S-induced analgesia remain elusive, attributed in part to the diverse sensory neuron population within the DRG and its modulation of both peripheral and central sensory processing pathways. Emerging evidence suggests that DRG-S may alleviate pain by several mechanisms, including the reduction of nociceptive signals at the T-junction of sensory neurons, modulation of pain gating pathways within the dorsal horn, and regulation of neuronal excitability within the DRG itself. However, elucidating the full extent of DRG-S mechanisms necessitates further exploration, particularly regarding its supraspinal effects and its interactions with cognitive and affective networks. Understanding these mechanisms is crucial for optimizing neurostimulation technologies and improving clinical outcomes of DRG-S for chronic pain management. This review provides a comprehensive overview of the DRG anatomy, mechanisms of action of the DRG-S, and its significance in neuromodulation therapy for chronic pain.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

A machine learning approach to emulation and biophysical parameter estimation with the Community Land Model, version 5

Abstract. Land models are essential tools for understanding and predicting terrestrial processes and climate–carbon feedbacks in the Earth system, but uncertainties in their future projections are poorly understood. Improvements in physical process realism and the representation of human influence arguably make models more comparable to reality but also increase the degrees of freedom in model configuration, leading to increased parametric uncertainty in projections. In this work we design and implement a machine learning approach to globally calibrate a subset of the parameters of the Community Land Model, version 5 (CLM5) to observations of carbon and water fluxes. We focus on parameters controlling biophysical features such as surface energy balance, hydrology, and carbon uptake. We first use parameter sensitivity simulations and a combination of objective metrics including ranked global mean sensitivity to multiple output variables and non-overlapping spatial pattern responses between parameters to narrow the parameter space and determine a subset of important CLM5 biophysical parameters for further analysis. Using a perturbed parameter ensemble, we then train a series of artificial feed-forward neural networks to emulate CLM5 output given parameter values as input. We use annual mean globally aggregated spatial variability in carbon and water fluxes as our emulation and calibration targets. Validation and out-of-sample tests are used to assess the predictive skill of the networks, and we utilize permutation feature importance and partial dependence methods to better interpret the results. The trained networks are then used to estimate global optimal parameter values with greater computational efficiency than achieved by hand tuning efforts and increased spatial scale relative to previous studies optimizing at a single site. By developing this methodology, our framework can help quantify the contribution of parameter uncertainty to overall uncertainty in land model projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Efficient surrogate modeling methods for large-scale Earth system models based on machine-learning techniques

Abstract. Improving predictive understanding of Earth system variability and change requires data–model integration. Efficient data–model integration for complex models requires surrogate modeling to reduce model evaluation time. However, building a surrogate of a large-scale Earth system model (ESM) with many output variables is computationally intensive because it involves a large number of expensive ESM simulations. In this effort, we propose an efficient surrogate method capable of using a few ESM runs to build an accurate and fast-to-evaluate surrogate system of model outputs over large spatial and temporal domains. We first use singular value decomposition to reduce the output dimensions and then use Bayesian optimization techniques to generate an accurate neural network surrogate model based on limited ESM simulation samples. Our machine-learning-based surrogate methods can build and evaluate a large surrogate system of many variables quickly. Thus, whenever the quantities of interest change, such as a different objective function, a new site, and a longer simulation time, we can simply extract the information of interest from the surrogate system without rebuilding new surrogates, which significantly reduces computational efforts. We apply the proposed method to a regional ecosystem model to approximate the relationship between eight model parameters and 42 660 carbon flux outputs. Results indicate that using only 20 model simulations, we can build an accurate surrogate system of the 42 660 variables, wherein the consistency between the surrogate prediction and actual model simulation is 0.93 and the mean squared error is 0.02. This highly accurate and fast-to-evaluate surrogate system will greatly enhance the computational efficiency of data–model integration to improve predictions and advance our understanding of the Earth system.

58 GEOSCIENCES↗
NASA NTRS1972

Design of microstrip components by computer

A number of computer programs are presented for use in the synthesis of microwave components in microstrip geometries. The programs compute the electrical and dimensional parameters required to synthesize couplers, filters, circulators, transformers, power splitters, diode switches, multipliers, diode attenuators and phase shifters. Additional programs are included to analyze and optimize cascaded transmission lines and lumped element networks, to analyze and synthesize Chebyshev and Butterworth filter prototypes, and to compute mixer intermodulation products. The programs are written in FORTRAN and the emphasis of the study is placed on the use of these programs and not on the theoretical aspects of the structures.

Cisco, T. C.↗
NASA NTRS1989

A large scale software system for simulation and design optimization of mechanical systems

The concept of an advanced integrated, networked simulation and design system is outlined. Such an advanced system can be developed utilizing existing codes without compromising the integrity and functionality of the system. An example has been used to demonstrate the applicability of the concept of the integrated system outlined here. The development of an integrated system can be done incrementally. Initial capabilities can be developed and implemented without having a detailed design of the global system. Only a conceptual global system must exist. For a fully integrated, user friendly design system, further research is needed in the areas of engineering data bases, distributed data bases, and advanced user interface design.

Dopker, Bernhard↗
NASA NTRS1990

Neural networks for aircraft control

Current research in Artificial Neural Networks indicates that networks offer some potential advantages in adaptation and fault tolerance. This research is directed at determining the possible applicability of neural networks to aircraft control. The first application will be to aircraft trim. Neural network node characteristics, network topology and operation, neural network learning and example histories using neighboring optimal control with a neural net are discussed.

Linse, Dennis↗