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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Model fusion with physics-guided machine learning: Projection-based reduced-order modeling

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatiotemporal scales has enabled the rapid advancement of data-driven and especially deep learning models in the field of fluid mechanics. Although these methods are proven successful for many applications, there is a grand challenge of improving their generalizability. This is particularly essential when data-driven models are employed within outer-loop applications like optimization. In this work, we put forth a physics-guided machine learning (PGML) framework that leverages the interpretable physics-based model with a deep learning model. Leveraging a concatenated neural network design from multi-modal data sources, the PGML framework is capable of enhancing the generalizability of data-driven models and effectively protects against or inform about the inaccurate predictions resulting from extrapolation. We apply the PGML framework as a novel model fusion approach combining the physics-based Galerkin projection model and long- to short-term memory (LSTM) network for parametric model order reduction of fluid flows. We demonstrate the improved generalizability of the PGML framework against a purely data-driven approach through the injection of physics features into intermediate LSTM layers. Our quantitative analysis shows that the overall model uncertainty can be reduced through the PGML approach, especially for test data coming from a distribution different than the training data. Moreover, we demonstrate that our approach can be used as an inverse diagnostic tool providing a confidence score associated with models and observations. The proposed framework also allows for multi-fidelity computing by making use of low-fidelity models in the online deployment of quantified data-driven models.

42 ENGINEERING↗
DOE OSTI2022

Electronic and vibrational properties of bulk Cr 2 Ge 2 Te 6 from first-principles calculations

Here we use density functional theory based ab initio calculations to investigate the structural, vibrational, magnetic, and electronic properties of the layered ferromagnet Cr 2 Ge 2 Te 6 (CGT) that has attracted attention for potential spintronic applications. We optimize the structure for a fixed c/a ratio. Our results are in excellent agreement with experimental data on structure, phonons, and electronic properties. The use of van der Waals interactions and relativistic spin-orbit coupling yields accurate lattice constants and interlayer distances. Simultaneously, the adopted theoretical methods lead to a rigorous description of the vibrational normal modes, as well as the valence bands, that are in excellent agreement with Raman spectroscopy and angle-resolved photoemission spectroscopy spectra, respectively. The magnetic moment is slightly overestimated, and the magnetic anisotropy has the correct sign but is greater in magnitude than that in experiment. We find that inclusion of the on-site Coulomb repulsion on Cr−3d orbitals worsens agreement with experiment, in contrast to previous studies. Our results provide a path toward ab initio analysis of magnetic heterostructures based on CGT.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Relativistic mean-field theories for neutron-star physics based on chiral effective field theory

We describe and implement a procedure for determining the couplings of a relativistic mean-field theory (RMFT) that is optimized for application to neutron star phenomenology. In the standard RMFT approach, the couplings are constrained by comparing the theory's predictions for symmetric matter at saturation density with measured nuclear properties. The theory is then applied to neutron stars which consist of neutron-rich matter at densities ranging up to several times saturation density, which allows for additional astrophysical constraints. In our approach, rather than using the RMFT to extrapolate from symmetric to neutron-rich matter and from finite-sized nuclei to uniform matter, we fit the RMFT to properties of uniform pure neutron matter obtained from chiral effective field theory. Chiral effective field theory incorporates the experimental data for nuclei in the framework of a controlled expansion for nuclear forces valid at nuclear densities and enables us to account for theoretical uncertainties when fitting the RMFT. We construct four simple RMFTs that span the uncertainties provided by chiral effective field theory for neutron matter, and are consistent with current astrophysical constraints on the equation of state. Lastly, our RMFTs can be used to model the properties of neutron-rich matter across the vast range of densities and temperatures encountered in neutron stars and their mergers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks

Deep neural networks (DNN) excel at extracting patterns. Through representation learning and automated feature engineering on large datasets, such models have been highly successful in computer vision and natural language applications. Designing optimal network architectures from a principled or rational approach however has been less than successful, with the best successful approaches utilizing an additional machine learning algorithm to tune the network hyperparameters. However, in many technical fields, there exist established domain knowledge and understanding about the subject matter. In this work, we develop a novel furcated neural network architecture that utilizes domain knowledge as high-level design principles of the network. We demonstrate proof-of-concept by developing IL-Net, a furcated network for predicting the properties of ionic liquids, which is a class of complex multi-chemicals entities. Compared to existing state-of-the-art approaches, we show that furcated networks can improve model accuracy by approximately 20-35%, without using additional labeled data. Lastly, we distill two key design principles for furcated networks that can be adapted to other domains.

Sakloth, Khushmeen↗
DOE OSTI2023

ProvLight: Efficient Workflow Provenance Capture on the Edge-to-Cloud Continuum

Modern scientific workflows require hybrid infrastructures combining numerous decentralized resources on the IoT/Edge interconnected to Cloud/HPC systems (aka the Computing Continuum) to enable their optimized execution. Understanding and optimizing the performance of such complex Edge-to-Cloud workflows is challenging. Capturing the provenance of key performance indicators, with their related data and processes, may assist in understanding and optimizing workflow executions. However, the capture overhead can be prohibitive, particularly in resource-constrained devices, such as the ones on the IoT/Edge.To address this challenge, based on a performance analysis of existing systems, we propose ProvLight, a tool to enable efficient provenance capture on the IoT/Edge. We leverage simplified data models, data compression and grouping, and lightweight transmission protocols to reduce overheads. We further integrate ProvLight into the E2Clab framework to enable workflow provenance capture across the Edge-to-Cloud Continuum. This integration makes E2Clab a promising platform for the performance optimization of applications through reproducible experiments.We validate ProvLight at a large scale with synthetic workloads on 64 real-life IoT/Edge devices in the FIT IoT LAB testbed. Evaluations show that ProvLight outperforms state-of-the-art systems like ProvLake and DfAnalyzer in resource-constrained devices. ProvLight is 26—37x faster to capture and transmit provenance data; uses 5—7x less CPU; 2x less memory; transmits 2x less data; and consumes 2—2.5x less energy. ProvLight [1] and E2Clab [2] are available as open-source tools.

Rosendo, Daniel↗
DOE OSTI2024

Microgrid to Microgrid Synchronization with Grid-Forming Inverters: Challenges and Solution

Research on network microgrids has primarily focused on control and optimization. However, application aspects such as microgrid-to-microgrid synchronization have not been fully addressed in existing literature. This paper first addresses the challenges of networking microgrids with grid-forming inverter in droop control. Then, it proposes a pre-synchronization algorithm to improves the synchronization speed and transient stability. To improve the speed, the phase difference between adjacent microgrids is minimized. Transients such as inrush current and oscillations are effectively mitigated by increasing the virtual impedance during interconnection. The proposed strategy allows smooth transitions when reconfiguration of the microgrids is needed. The applicability of this strategy to today’s microgrid systems is demonstrated through a validation in a 480V three-phase network microgrid testbed with commercial-grade inverters, protective devices, and switchgear.

Ferrari Maglia, Max↗
DOE OSTI2023

AutoTG: Reinforcement Learning-Based Symbolic Optimization for AI-Assisted Power Converter Design

Power converters are pervasive in modern electronic component design. They can be found in all electronic devices from household appliances and cellphone chargers to vehicles. Currently, designing new circuit topologies is hard because it requires human expertise based on experience and is difficult to automate. However, artificial-intelligence-assisted design can significantly facilitate the development of new power converters and/or improve the final result. Intelligently designed highly efficient power converters can have a significant effect on many important attributes, such as power efficiency, layout size, cost, heat dissemination, energy requirements, etc. We propose Autonomous Topology Generator (AutoTG), a reinforcement-learning-based framework that generates power converter topology candidates based on user specifications, optimized for user preferences. By modeling power converter design as a symbolic optimization problem, we sequentially sample components in an autoregressive manner until new topologies are formed, providing both the topology specification and the sizing (magnitude of each component parameter) of the proposed power converter. Here, we provide an empirical evaluation and show that AutoTG is able to generate varied high-efficiency topologies within component restrictions based on user input and show that previously unknown topologies can be found for further evaluation.

(AI)-based design↗
DOE OSTI2024

Medium-Duty Delivery Truck Integrated Bidirectional Wireless Power Transfer System With Grid and Stationary Energy Storage System Connectivity

Electric vehicles (EVs) can provide power to the grid or buildings similar to distributed energy resources (DER) for energy balancing applications or optimizing the operation of the microgrids in harmony with the other DER assets. This article presents the operating modes of a bidirectional wireless power transfer (WPT) system designed for a medium-duty package delivery vehicle. The WPT system designed for this study can transfer 20 kW of power across 11 in of air gap using custom-designed double-D (DD) couplers with LCC–LCC tuning networks. The proposed system utilizes a 480-V three-phase grid connection, a plug-in hybrid delivery truck with bidirectional WPT, and a stationary energy storage system (SESS) that can be connected to the primary-side dc link. Due to the differences in primary and secondary dc bus voltages, and considering the voltage of the SESS, asymmetric voltage gains were used in the system. Sensitivity analyses of this system with respect to these voltage levels are presented. Five different operating modes of the grid, SESS, and the EV battery are investigated with experimental results. Control algorithms are described for grid-to-vehicle (G2V) and vehicle-to-grid (V2G) operating modes. A bidirectional WPT system is operated with a power factor of 0.99 on the grid side in every operating mode. The EV battery was charged with 20.3 kW with an overall efficiency of 93.02% in the G2V operating mode. Finally, in the V2G operating mode, the WPT system provided 12.82 kW of power back to the grid with an overall efficiency of 89.08%.

25 ENERGY STORAGE↗
DOE OSTI2019

Detection and Characterization of Intrusions to Network Parameter Data in Electric Power Systems

Combating cyberattacks is an emerging challenge in maintaining the reliable and economic operation of electric power systems. Possible cyberattacks include intrusions to the parameter data at a control center. In this class of attacks, algorithms at the control center are correctly executed, but the attacker's modification of the associated parameter data yields improper results. This paper proposes an algorithm for detecting and characterizing cyberattacks to network parameter data, with specific application to optimal power flow problems. The proposed algorithm evaluates whether historical operating point data are consistent with the network parameters. Inconsistencies indicating potential cyberattacks are characterized using historical operational data (power injections and voltage phasors) along with network parameter data. Simulated test cases illustrate the proposed algorithm's detection and characterization capabilities.

cybersecurity↗
DOE OSTI2019

CMed: Crowd Analytics for Medical Imaging Data

In this work, we present a visual analytics framework, CMed, for exploring medical image data annotations acquired from crowdsourcing. CMed can be used to visualize, classify, and filter crowdsourced clinical data based on a number of different metrics such as detection rate, logged events, and clustering of the annotations. CMed provides several interactive linked visualization components to analyze the crowd annotation results for a particular video and the associated workers. Additionally, all results of an individual worker can be inspected using multiple linked views in our CMed framework. We allow a crowdsourcing application analyst to observe patterns and gather insights into the crowdsourced medical data, helping him/her design future crowdsourcing applications for optimal output from the workers. We demonstrate the efficacy of our framework with two medical crowdsourcing studies: polyp detection in virtual colonoscopy videos and lung nodule detection in CT thin-slab maximum intensity projection videos. We also provide experts' feedback to show the effectiveness of our framework. Lastly, we share the lessons we learned from our framework with suggestions for integrating our framework into a clinical workflow.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Global minimization via classical tunneling assisted by collective force field formation

Simple elements interacting in networks can give rise to intricate emergent behaviors. Examples such as synchronization and phase transitions often apply in many contexts, as many different systems may reduce to the same effective model. Here, we demonstrate such a behavior in a model inspired by memristors. When weakly driven, the system is described by movement in an effective potential, but when strongly driven, instabilities cause escapes from local minima, which can be interpreted as an unstable tunneling mechanism. We dub this collective and nonperturbative effect a “Lyapunov force,” which steers the system toward the global minimum of the potential function, even if the full system has a constellation of equilibrium points growing exponentially with the system size. This mechanism is appealing for its physical relevance in nanoscale physics and for its possible applications in optimization, Monte Carlo schemes, and machine learning.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Electrochemistry of the Arrow Poison, Tubocurarine, Using Boron Doped Diamond Electrode: Experimental and Theoretical Approaches

In present work boron doped diamond (BDD) electrode was applied for studying electrochemical behavior, as well as for quantitative determination of natural alkaloid, tubocurarine (arrow poison/ TUB). Electrochemical behavior was investigated using several organic solvents and aqueous buffers, at different pHs, as supporting electrolytes. After selection of the most appropriate supporting electrolyte and investigation of its electrochemical behavior, analytical procedures for quantitative analysis of TUB were developed in an acetonitrile/methanol (80:20) mixture and in 1 mol L−1 nitric acid, which had linear quantification ranges from 4 × 10−6 to 1 × 10−4 mol L−1 (LOD = 3.07 × 10−6 mol L−1) and 4 × 10−6 to 9 × 10−5 mol L−1 (LOD = 2.45 × 10−6 mol L−1 and 5.28 × 10−7 mol L−1, depending on the selected peak), respectively. The oxidation mechanism of TUB was proposed from the theoretical aspect. Remarkable selectivity and good sensitivity were obtained after the TUB quantification method was optimized, allowing application of the developed method for TUB quantification in biological fluids, with excellent reproducibility, accuracy and precision.

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

Toward fusion plasma scenario planning for NSTX-U using machine-learning-accelerated models

One of the most promising devices for realizing power production through nuclear fusion is the tokamak. To maximize performance, it is preferable that tokamak reactors achieve advanced operating scenarios characterized by good plasma confinement, improved magnetohydrodynamic (MHD) stability, and a largely non-inductively driven plasma current. Such scenarios could enable steady-state reactor operation with high \emph{fusion gain} --- the ratio of produced fusion power to the external power provided through the plasma boundary. Precise and robust control of the evolution of the plasma boundary shape as well as the spatial distribution of the plasma current, density, temperature, and rotation will be essential to achieving and maintaining such scenarios. The complexity of the evolution of tokamak plasmas, arising due to nonlinearities and coupling between various parameters, motivates the use of model-based control algorithms that can account for the system dynamics. In this work, a learning-based accelerated model trained on data from the National Spherical Torus Experiment Upgrade (NSTX-U) is employed to develop planning and control strategies for regulating the density and temperature profile evolution around desired trajectories. The proposed model combines empirical scaling laws developed across multiple devices with neural networks trained on empirical data from NSTX-U and a database of first-principles-based computationally intensive simulations. The reduced execution time of the accelerated model will enable practical application of optimization algorithms and reinforcement learning approaches for scenario planning and control development. An initial demonstration of applying optimization approaches to the learning-based model is presented, including a strategy for mitigating the effect of leaving the finite validity range of the accelerated model. The approach shows promise for actuator planning between experiments and in real-time.

machine learning↗
DOE OSTI2018

Real-time data analysis for medical diagnosis using FPGA-accelerated neural networks

Real-time analysis of patient data during medical procedures can provide vital diagnostic feedback that significantly improves chances of success. With sensors becoming increasingly fast, frameworks such as Deep Neural Networks are required to perform calculations within the strict timing constraints for real-time operation. However, traditional computing platforms responsible for running these algorithms incur a large overhead due to communication protocols, memory accesses, and static (often generic) architectures. In this work, we implement a low-latency Multi-Layer Perceptron (MLP) processor using Field Programmable Gate Arrays (FPGAs). Unlike CPUs and Graphics Processing Units (GPUs), our FPGA-based design can directly interface sensors, storage devices, display devices and even actuators, thus reducing the delays of data movement between ports and compute pipelines. Moreover, the compute pipelines themselves are tailored specifically to the application, improving resource utilization and reducing idle cycles. We demonstrate the effectiveness of our approach using mass-spectrometry data sets for real-time cancer detection. We demonstrate that correct parameter sizing, based on the application, can reduce latency by 20% on average. Furthermore, we show that in an application with tightly coupled data-path and latency constraints, having a large amount of computing resources can actually reduce performance. Using mass-spectrometry benchmarks, we show that our proposed FPGA design outperforms both CPU and GPU implementations, with an average speedup of 144x and 21x, respectively. In our work, we demonstrate the importance of application-specific optimizations in order to minimize latency and maximize resource utilization for MLP inference. By directly interfacing and processing sensor data with ultra-low latency, FPGAs can perform real-time analysis during procedures and provide diagnostic feedback that can be critical to achieving higher percentages of successful patient outcomes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Robust COTS objective for diffraction-limited, high-NA, long front working distance imaging

We present a robust objective lens optimized for applications requiring both high numerical aperture (NA) and long front working distance imaging, comprised of all commercial-off-the-shelf (COTS) spherical singlet lenses. Unlike traditional designs that require separate collimation and refocusing stages, our approach directly converges imaged light to the back focal plane using a single lens group. Our configuration corrects spherical aberrations and efficiently collects light to achieve diffraction-limited performance across a wide range of wavelengths while simplifying alignment and assembly. Using this approach, we design and construct an example objective lens that features a long front working distance of 61 mm and a clipped NA of 0.30 (limited by an aperture in our experimental setup). We experimentally verify that it achieves monochromatic diffraction-limited resolution at wavelengths from 375 nm to 866 nm without requiring replacement of the lenses or changing the inter-lens spacings, and its performance remains robust across a 46 mm range variation in total length (by adjusting mainly the back working distance). Additionally, we develop a quantitative method to measure the field of view (FOV) using an experimentally calibrated pinhole target. Under 397 nm illumination (i.e., from 40 Ca + ion fluorescence), the objective achieves a resolution of 0.87 μm with a 540 μm FOV. This robust, all-COTS, and versatile design is well-suited for a broad range of experiments, supporting high-precision measurements and exploring quantum phenomena.

Cui, Jiafeng [Oak Ridge National Laboratory (ORNL)↗
DOE OSTI2024

Energy Efficient Streaming Time Series Classification with Attentive Power Iteration

Efficiently processing time series data streams in real-time on resource-constrained devices offers significant advantages in terms of enhanced computational energy efficiency and reduced time-related risks. We introduce an innovative streaming time series classification network that utilizes attentive power iteration, enabling real-time processing on resource-constrained devices. Our model continuously updates a compact representation of the entire time series, enhancing classification accuracy while conserving energy and processing time. Notably, it excels in streaming scenarios without requiring complete time series access, enabling swift decisions. Experimental results show that our approach excels in classification accuracy and energy efficiency, with over 70% less consumption and threefold faster task completion than benchmarks. This work advances real-time responsiveness, energy conservation, and operational effectiveness for constrained devices, contributing to optimizing various applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

The Next Generation of Split-Fluorescent Proteins and What They Can Do for You

A symmetrically split fluorescent protein (split-FP) systems provide unique advantages over conventional fluorophores as well as whole fluorescent proteins for cellular imaging and biochemical assays. In this presentation I will discuss some of these advantages, as well as new optimizations and applications for existing LANL split-FP tools in the emerging field of intrinsically disordered protein (IDP) biology, host-pathogen interactions and materials science. I will also briefly present additions to the LANL split-FP toolbox, such as a new split red fluorescent protein (a vast improvement over the current state of the art) and a new technique to develop multimerization-resistant proteins. Lastly, I will discuss some use-cases for these new materials.

59 BASIC BIOLOGICAL SCIENCES↗