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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impacts of the Conductive Networks on Solid‐State Battery Operation

The micromorphology of composite cathodes is known to play a vital role in determining all-solid-state battery (ASSB) performance. However, much of our current understanding is derived from empirical observations, lacking a deeper mechanistic foundation. The “rocking chair” concept of battery chemistry requires maintaining charge neutrality, emphasizing the necessity of examining electrode micromorphology from the perspective of conductive networks. This study systematically investigates the microscopic electrochemical impacts of conductive network micromorphology by varying the Li + -to-e − channel ratio in cathodes comprising LiNbO 3 -coated LiNi 0.8 Co 0.1 Mn 0.1 O 2 , Li 6 PS 5 Cl, and carbon fibers. Utilizing multiscale synchrotron-based spectro-microscopy, we unravel that unbalanced Li + and e − conducting channels intensify charge polarization within active cathode particles and accelerate their degradation. A further model system with X-ray nano-tomography resolved e − and Li + channels indicates that spatially uniform and well-paired Li + and e − conducting channels are highly desirable as they could promote more uniform lithiation/delithiation, mitigating microscopic electrochemical polarization. Electrode-scale X-ray holotomography analysis reveals that the impact of conductive networks is particle-size-dependent, with smaller cathode particles being more significantly affected. These findings provide mechanistic insights into the interplay between conductive networks and all-solid-state battery operation, laying the groundwork for rational design and optimization of cathode architectures in future solid-state battery technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Layer-by-Layer-Processed Organic Solar Cells with 18.02% Efficiency Enabled by Regulating the Aggregation of Bottom Polymers

The fabrication of organic solar cells (OSCs) by a layer-by-layer (LBL) method has attracted growing attention in recent years. As already known, the pre-aggregates of conjugated polymers in solution have a profound impact on their microstructure morphology in films. Herein, by simply controlling the solution temperature and annealing processes, the pre-aggregation behavior of D18 polymer in solution can be fine-tuned and the microstructure of D18 bottom layer is well manipulated. The optimized D18 bottom layer can effectively regulate L8-BO upper-layer-forming suitable networks for efficient charge transportation. In addition, a vertical phase separation with a special D/D:A/A structure (P-i-N-type component distribution) is also formed. As a result, compared to the 16.43% power conversion efficiency (PCE) of the bulk heterojunction devices, such control enables bilayer OSC devices based on the polymer D18 and L8-BO to deliver an enhanced PCE of 18.02% with simultaneously improved short-circuit current density, open-circuit voltage, and fill factor. Importantly, it is also demonstrated in these results that the LBL deposition process utilizing the pre-aggregation of polymer and its fiber-network-forming ability is a very promising approach to improve charge dynamics, suppress carrier recombination, and fabricate highly efficient OSCs.

14 SOLAR ENERGY↗
DOE OSTI2025

Certifying almost all quantum states with few single-qubit measurements

Certifying that an n -qubit state synthesized in the laboratory is close to a given target state is a fundamental task in quantum information science. However, existing rigorous protocols applicable to general target states have potentially prohibitive resource requirements in the form of either deep quantum circuits or exponentially many single-qubit measurements. Here we prove that almost all n -qubit target states, including those with exponential circuit complexity, can be certified from only O ( n 2 ) single-qubit measurements. Given access to the target state’s amplitudes, our protocol requires only O ( n 3 ) classical computation. This result is established by a technique that relates certification to the mixing time of a random walk. Our protocol has applications for benchmarking quantum systems, for optimizing quantum circuits to generate a desired target state and for learning and verifying neural networks, tensor networks and various other representations of quantum states using only single-qubit measurements. We show that such verified representations can be used to efficiently predict highly non-local properties of a synthesized state that would otherwise require an exponential number of measurements on the state. We demonstrate these applications in numerical experiments with up to 120 qubits and observe an advantage over existing methods such as cross-entropy benchmarking.

information theory and computation↗
DOE OSTI2016

Deep Learning in Label-free Cell Classification

Label-free cell analysis is essential to personalized genomics, cancer diagnostics, and drug development as it avoids adverse effects of staining reagents on cellular viability and cell signaling. However, currently available label-free cell assays mostly rely only on a single feature and lack sufficient differentiation. Also, the sample size analyzed by these assays is limited due to their low throughput. Here, we integrate feature extraction and deep learning with high-throughput quantitative imaging enabled by photonic time stretch, achieving record high accuracy in label-free cell classification. Our system captures quantitative optical phase and intensity images and extracts multiple biophysical features of individual cells. These biophysical measurements form a hyperdimensional feature space in which supervised learning is performed for cell classification. We compare various learning algorithms including artificial neural network, support vector machine, logistic regression, and a novel deep learning pipeline, which adopts global optimization of receiver operating characteristics. As a validation of the enhanced sensitivity and specificity of our system, we show classification of white blood T-cells against colon cancer cells, as well as lipid accumulating algal strains for biofuel production. In conclusion, this system opens up a new path to data-driven phenotypic diagnosis and better understanding of the heterogeneous gene expressions in cells.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Optimum Aggregation and Control of Spatially Distributed Flexible Resources in Smart Grid

This paper presents an algorithm to optimally aggregate spatially distributed flexible resources at strategic microgrid/smart-grid locations. The aggregation reduces a distribution network having thousands of nodes to an equivalent network with a few aggregated nodes, thereby enabling distribution system operators (DSOs) to make faster operational decisions. Moreover, the aggregation enables flexibility from small distributed flexible resources to be traded to different power and energy markets. A hierarchical control architecture comprising a combination of centralized and decentralized control approaches is proposed to practically deploy the aggregated flexibility. The proposed method serves as a great operational tool for DSOs to decide the exact amount of required flexibilities from different network section(s) for solving grid constraint violations. The effectiveness of the proposed method is demonstrated through simulation of three operational scenarios in a real low voltage distribution system having high penetrations of electric vehicles and heat pumps. Finally, the simulation results demonstrated that the aggregation helps DSOs not only in taking faster operational decisions, but also in effectively utilizing the available flexibility.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

MO-DE-BRA-05: Developing Effective Medical Physics Knowledge Structures: Models and Methods

Purpose: Develop a method and supporting online resources to be used by medical physics educators for teaching medical imaging professionals and trainees so they develop highly-effective physics knowledge structures that can contribute to improved diagnostic image quality on a global basis. Methods: The different types of mental knowledge structures were analyzed and modeled with respect to both the learning and teaching process for their development and the functions or tasks that can be performed with the knowledge. While symbolic verbal and mathematical knowledge structures are very important in medical physics for many purposes, the tasks of applying physics in clinical imaging--especially to optimize image quality and diagnostic accuracy--requires a sensory conceptual knowledge structure, specifically, an interconnected network of visually based concepts. This type of knowledge supports tasks such as analysis, evaluation, problem solving, interacting, and creating solutions. Traditional educational methods including lectures, online modules, and many texts are serial procedures and limited with respect to developing interconnected conceptual networks. A method consisting of the synergistic combination of on-site medical physics teachers and the online resource, CONET (Concept network developer), has been developed and made available for the topic Radiographic Image Quality. This was selected as the inaugural topic, others to follow, because it can be used by medical physicists teaching the large population of medical imaging professionals, such as radiology residents, who can apply the knowledge. Results: Tutorials for medical physics educators on developing effective knowledge structures are being presented and published and CONET is available with open access for all to use. Conclusion: An adjunct to traditional medical physics educational methods with the added focus on sensory concept development provides opportunities for medical physics teachers to share their knowledge and experience at a higher cognitive level and produce medical professionals with the enhanced ability to apply physics to clinical procedures.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Automated Adversary-in-the-Loop Cyber-Physical Defense Planning

Security of cyber-physical systems (CPS) continues to pose new challenges due to the tight integration and operational complexity of the cyber and physical components. To address these challenges, this article presents a domain-aware, optimization-based approach to determine an effective defense strategy for CPS in an automated fashion—by emulating a strategic adversary in the loop that exploits system vulnerabilities, interconnection of the CPS, and the dynamics of the physical components. Our approach builds on an adversarial decision-making model based on a Markov Decision Process (MDP) that determines the optimal cyber (discrete) and physical (continuous) attack actions over a CPS attack graph. The defense planning problem is modeled as a non-zero-sum game between the adversary and defender. We use a model-free reinforcement learning method to solve the adversary’s problem as a function of the defense strategy. We then employ Bayesian optimization (BO) to find an approximate best-response for the defender to harden the network against the resulting adversary policy. This process is iterated multiple times to improve the strategy for both players. We demonstrate the effectiveness of our approach on a ransomware-inspired graph with a smart building system as the physical process. Numerical studies show that our method converges to a Nash equilibrium for various defender-specific costs of network hardening.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

RingX: Scalable Parallel Attention for Long-Context Learning on HPC

The attention mechanism has become foundational for remarkable AI breakthroughs since the introduction of the Transformer, driving the demand for increasingly longer context to power frontier models such as large-scale reasoning language models and high-resolution image/video generators. However, its quadratic computational and memory complexities present substantial challenges. Current state-of-the-art parallel attention methods, such as ring attention, are widely adopted for long-context training but utilize a point-to-point communication strategy that fails to fully exploit the capabilities of modern HPC network architectures. In this work, we propose ringX, a scalable family of parallel attention methods optimized explicitly for HPC systems. By enhancing workload partitioning, refining communication patterns, and improving load balancing, ringX achieves up to 3.4 × speedup compared to conventional ring attention on the Frontier supercomputer. Optimized for both bi-directional and causal attention mechanisms, ringX demonstrates its effectiveness through training benchmarks of a Vision Transformer (ViT) on a climate dataset and a Generative Pre-Trained Transformer (GPT) model, Llama3 8B. Our method attains an end-to-end training speedup of approximately 1.5 × in both scenarios. To our knowledge, the achieved 38% model FLOPs utilization (MFU) for training Llama3 8B with a 1M-token sequence length on 4,096 GPUs represents one of the highest training efficiencies reported for long-context learning on HPC systems. Our code implementation is available at https://github.com/jqyin/ringX-attention.

Yin, Junqi [ORNL] (ORCID:0000000338435520)↗
DOE OSTI2021

WaterTAP v1.0.0

WaterTAP is a new open source library of water-specific models built on the IDAES Integrated Platform to support the design and optimization of integrated water treatment systems, improve existing systems and enable the analysis of new designs incorporating emerging technologies. WaterTAP enables advanced modeling and optimization for: conceptual and multiscale design, dynamics and model predictive control of water systems and networks.

Beattie, KeithS↗
DOE OSTI2022

Development of advanced machine learning models for analysis of plutonium surrogate optical emission spectra

This work investigates and applies machine learning paradigms seldom seen in analytical spectroscopy for quantification of gallium in cerium matrices via processing of laser-plasma spectra. Ensemble regressions, support vector machine regressions, Gaussian kernel regressions, and artificial neural network techniques are trained and tested on cerium-gallium pellet spectra. A thorough hyperparameter optimization experiment is conducted initially to determine the best design features for each model. The optimized models are evaluated for sensitivity and precision using the limit of detection (LoD) and root mean-squared error of prediction (RMSEP) metrics, respectively. Gaussian kernel regression yields the superlative predictive model with an RMSEP of 0.33% and an LoD of 0.015% for quantification of Ga in a Ce matrix. This study concludes that these machine learning methods could yield robust prediction models for rapid quality control analysis of plutonium alloys.

Rao, Ashwin P. (ORCID:0000000319312568)↗
DOE OSTI2025

Machine learning models for PDE constrained optimization

Partial differential equation (PDE)-constrained optimization problems arise in a variety of scientific and engineering applications, such as topology optimization, electrodynamics, fluid dynamics, and structural dynamics. However, these problems are often challenging and computationally expensive to solve, due to the need to solve the PDEs within the optimization loop. One approach to reducing the computational cost of these methods while providing convergence guarantees is through inexact trust region methods; this method uses lower fidelity solutions of the PDE at early stages of the optimization and adjusts the required accuracy of inexact PDE solvers as the optimization progresses. In this work, we explore the use of machine learning based surrogate models with these inexact trust region methods. We first demonstrate the potential of this approach by using Gaussian processes as the surrogate model and test this on a simple PDE-constrained optimization problem. We then document explorations into improving the computational costs of evolutional deep neural network / neural Galerkin methods, with the eventual goal of using these methods with the inexact trust region algorithms. We are able to speed up these approaches, albeit at the cost of lower accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A Risk-Averse Approach for Distribution Grid Expansion Planning

Recent episodes of natural disasters have challenged the resilience of power grids. Adequate distribution grid planning that properly captures the risk aversion of the utility system planner is a key factor to increase the flexibility of distribution networks to circumvent these events. In this paper, we propose a methodology to determine the optimal portfolio of investments in lines and storage devices in order to minimize a convex combination between expected value and CVaR of operational costs, including energy not served, while taking into account the multistage nature of the energy storage management within this context. While the expected value of energy not served has been traditionally employed to tackle routine failures, we also minimize the CVaR of energy not served to address high-impact, low-probability (HILP) events. We illustrate the performance of the proposed methodology with a 54-Bus system test case.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Numerical Investigation of Butterfly Valve Performance in Variable Valve Sizes, Positions and Flow Regimes

Reliability and efficiency of valves are necessary for precise control and sufficient heat-flow to heat application plants for the integrated energy systems of nuclear power plants (NPPs). Strategic Management Analysis Requirement and Technology (SMART) valves’ ability to control flow and assess environmental parameters stands out for these requirements. Their ability to sustain the downstream flow rate, prevent reverse flow, and maintain pressure in the heat transport loop is much more efficient with the integration of sensors and intelligent algorithms. For assessing valve performance and monitoring, mechanical design and operating conditions are two important parameters. In this study, the butterfly valves of three different sizes are simulated with water and steam using STAR-CCM+ in various flow regimes and positions to analyze performance parameters to strategize an automated control system for efficiently balancing the heat–transport network. Also, flow behavior is studied using velocity and pressure fields for valve–body geometry optimization. It can be observed, through performance parameters, that the valves are suitable for operation between 30° and 90° positions with significantly low loss coefficients and high flow coefficients, and the performance parameters follow a certain pattern in both water and steam flow in each scenario.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Optimal operation of multi-plant steam district heating systems for enhanced efficiency and sustainability

Despite their crucial role in supplying heat and power to universities, industries, and healthcare facilities, many steam-based district heating systems rely on outdated control methods. Among these, multi-central plant districts are particularly challenging due to the complexities of coordinating multiple plants, optimizing load distributions, and managing system downtime. In response, new operational strategies are developed to enhance the efficiency and sustainability of steam districts while utilizing existing resources. These strategies include reducing plant operational pressure without compromising the reliable supply to buildings and optimizing load allocation across multiple plants. The load allocation considers boiler part-load efficiency, runtime, network losses, and building pressure set points, and is compared with traditional multi-boiler controls. To support this exploration, new dynamic Modelica models are developed. In addition, methods to reduce modeling complexities are incorporated, enhancing their suitability for practical applications. A holistic district-wide analysis using a real university case study demonstrates a 4.7% fuel savings by lowering boiler operational pressure from 900 kPa to 600 kPa, along with a 13.3% reduction in condensation losses across the distribution network. Furthermore, the load allocation approach results in a 13.1% reduction in fuel consumption during peak winter periods and 15.3% during shoulder periods, with corresponding decreases in carbon emissions and fuel costs. This approach can also save maintenance costs by reducing the boiler runtime by 49.6%. In conclusion, this research underscores the benefits of retrofitting aging steam district heating systems, offering immediate operational improvements by enhancing efficiency, meeting regulatory compliance, and extending infrastructure lifespans while delaying costly overhauls.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Dynamic Tuning of Seismic Signal Detector Trigger Levels for Local Networks

The quality of automatic signal detections from sensor networks depends on individual detector trigger levels (TLs) from each sensor. The largely manual process of identifying effective TLs is painstaking and does not guarantee optimal configuration settings, yet achieving superior automatic detection of signals and ultimately, events, is closely related to these parameters. In this paper, we present a Dynamic Detector Tuning (DDT) system that automatically adjusts effective TL settings for signal detectors to the current state of the environment by leveraging cooperation within a local neighborhood of network sensors. After a stabilization period, the DDT algorithm can adapt in near-real time to changing conditions and automatically tune a signal detector to identify (detect) signals from only events of interest. Our current work focuses on reducing false signal detections early in the seismic signal processing pipeline, which leads to fewer false events and has a significant impact on reducing analyst time and effort. This system provides an important new method to automatically tune detector TLs for a network of sensors and is applicable to both existing sensor performance boosting and new sensor deployment. Finally, with ground truth on detections from a local neighborhood of seismic sensors within a network monitoring the Mount Erebus volcano in Antarctica, we show that DDT reduces the number of false detections by 18% and the number of missed detections by 11% when compared with optimal fixed TLs for all sensors.

58 GEOSCIENCES↗
DOE OSTI2023

Volt/VAR Optimization (VVO) Application on GridAPPS-D Platform

There is a large increment in the distributed energy resources (DERs) installation and deployments of smart sensing devices and communication infrastructure; hence, the power distribution network is swiftly evolving from a passive network to an active network. This motivates the development of advanced applications to operate power distribution systems for higher efficiency and reliability. These advanced applications are model-based and data-driven. This requires an advanced distribution management system (ADMS) to provide required data for the optimal operation of the distribution systems by coordinating various grid controllable devices. In this paper a Volt-VAR optimization (VVO) application to coordinate the grid’s legacy and new voltage control devices for conservation voltage reduction (CVR) is deployed on the GridAPPS-D platform (an open-source platform ) for ADMS application development. The VVO application is validated for various operating conditions on using modified IEEE 8500-node distribution test feeders. Further, the application is successfully deployed on the GridAPPS-D platform.

Jha, Rahul↗
DOE OSTI2018

Possibilities for Optimizing the Self-Starting Process of Auxiliary Electric Motors at a Nuclear Power Plant

The existing technique of switching on the auxiliary reserve network of an NPP formulates the switch-on commands directly after a shutdown. Due to delay in activating the automatic switch, the command is completed with a certain time delay. The nature of the subsequent processes is not very predictable. It is proposed to determine, based on developed computer models of the actual equipment, the moments of formation of the reserve activation commands, thus ensuring smaller perturbations at the subsequent switch-on.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

In Situ Indexing and Query Processing of AMR Data

We have developed the first, holistic, Adaptive Mesh Refinement (AMR) capable, in situ query framework to ensure the tractability of the current- and next-generation AMR simulation analysis on the path to extreme scale. We have addressed key issues pertaining to in situ analysis, memory hierarchy, generalized parallel indexing, index-compression, and real-time access pattern detection. We have published the following research papers in high profile peer reviewed computer science conferences: (a) Parallel In Situ Detection of Connected Components in Adaptive Mesh Refinement Data; (b) AMR-aware In Situ Indexing and Scalable Querying; (c) Pattern-driven dynamic data layout optimization; (d) In situ Storage Layout Optimization for AMR Spatio-temporal Read Accesses; (e) AMRZone: A Runtime AMR Data Sharing Framework for Scientific Applications; (f) Exploring Memory Hierarchy and Network Topology for Runtime AMR Data Sharing Across Scientific Applications.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗