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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Large Scale Synthesis of Manganese Oxide/Reduced Graphene Oxide Composites as Anode Materials for Long Cycle Lithium Ion Batteries

Manganese oxides have been frequently used as cathodes in primary batteries. Applications of manganese oxides in secondary batteries are limited by low electrical conductivity and rapid capacity fading because of electrode pulverization and aggregation. In this study, a solid-state synthetic strategy is presented that successfully combines nanosize (~ 50 nm) nickel doped α-MnO 2 with reduced graphene oxides as highly stable composite anodes in lithium ion batteries. The synthesis approach is easy to scale up and suitable for industrial applications. Here, the rationally designed Ni-α-MnO 2 /RGO was tested in galvanostatic half coin cells for Li + charge-discharge studies. The results show that this composite maintains a high capacity of 615 mAh g -1 even after 200 cycles at a high current rate of 1 C (830 mA g -1 ), and with a high Coulombic efficiency near 99%. The anodes exhibit excellent rate capability in a wide range of rate testing from 0.2 to 10 C, without showing capacity decay. This superior anode performance is ascribed to the reduced size of α-MnO 2 domains that are well dispersed in an RGO matrix, which affords good ionic/elec. cond., low charge transfer resistance and mitigates issues of vol. expansion of the anodic active materials. This study opens up an avenue for developing the manufacturing of high-performance electrodes for real applications, such as batteries in electrical vehicles.

25 ENERGY STORAGE↗
DOE OSTI2022

A Framework for Inverse Prediction Using Functional Response Data

Inverse prediction models have commonly been developed to handle scalar data from physical experiments. However, it is not uncommon for data to be collected in functional form. When data are collected in functional form, it must be aggregated to fit the form of traditional methods, which often results in a loss of information. For expensive experiments, this loss of information can be costly. In this study, we introduce the functional inverse prediction (FIP) framework, a general approach which uses the full information in functional response data to provide inverse predictions with probabilistic prediction uncertainties obtained with the bootstrap. The FIP framework is a general methodology that can be modified by practitioners to accommodate many different applications and types of data. We demonstrate the framework, highlighting points of flexibility, with a simulation example and applications to weather data and to nuclear forensics. Results show how functional models can improve the accuracy and precision of predictions.

42 ENGINEERING↗
NASA NTRS2012

Image Mapping and Visual Attention on the Sensory Ego-Sphere

The Sensory Ego-Sphere (SES) is a short-term memory for a robot in the form of an egocentric, tessellated, spherical, sensory-motor map of the robot s locale. Visual attention enables fast alignment of overlapping images without warping or position optimization, since an attentional point (AP) on the composite typically corresponds to one on each of the collocated regions in the images. Such alignment speeds analysis of the multiple images of the area. Compositing and attention were performed two ways and compared: (1) APs were computed directly on the composite and not on the full-resolution images until the time of retrieval; and (2) the attentional operator was applied to all incoming imagery. It was found that although the second method was slower, it produced consistent and, thereby, more useful APs. The SES is an integral part of a control system that will enable a robot to learn new behaviors based on its previous experiences, and that will enable it to recombine its known behaviors in such a way as to solve related, but novel, task problems with apparent creativity. The approach is to combine sensory-motor data association and dimensionality reduction to learn navigation and manipulation tasks as sequences of basic behaviors that can be implemented with a small set of closed-loop controllers. Over time, the aggregate of behaviors and their transition probabilities form a stochastic network. Then given a task, the robot finds a path in the network that leads from its current state to the goal. The SES provides a short-term memory for the cognitive functions of the robot, association of sensory and motor data via spatio-temporal coincidence, direction of the attention of the robot, navigation through spatial localization with respect to known or discovered landmarks, and structured data sharing between the robot and human team members, the individuals in multi-robot teams, or with a C3 center.

Fleming, Katherine Achim↗
DOE OSTI2023

GAHLS: an optimized graph analytics based high level synthesis framework

The urgent need for low latency, high-compute and low power on-board intelligence in autonomous systems, cyber-physical systems, robotics, edge computing, evolvable computing, and complex data science calls for determining the optimal amount and type of specialized hardware together with reconfigurability capabilities. With these goals in mind, we propose a novel comprehensive graph analytics based high level synthesis (GAHLS) framework that efficiently analyzes complex high level programs through a combined compiler-based approach and graph theoretic optimization and synthesizes them into message passing domain-specific accelerators. This GAHLS framework first constructs a compiler-assisted dependency graph (CaDG) from low level virtual machine (LLVM) intermediate representation (IR) of high level programs and converts it into a hardware friendly description representation. Next, the GAHLS framework performs a memory design space exploration while account for the identified computational properties from the CaDG and optimizing the system performance for higher bandwidth. The GAHLS framework also performs a robust optimization to identify the CaDG subgraphs with similar computational structures and aggregate them into intelligent processing clusters in order to optimize the usage of underlying hardware resources. Finally, the GAHLS framework synthesizes this compressed specialized CaDG into processing elements while optimizing the system performance and area metrics. Evaluations of the GAHLS framework on several real-life applications (e.g., deep learning, brain machine interfaces) demonstrate that it provides 14.27× performance improvements compared to state-of-the-art approaches such as LegUp 6.2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Heterogeneity and Hysteresis in the Polymer Collapse of Single Core–Shell Stimuli-Responsive Plasmonic Nanohybrids

Broad application of polymeric stimuli-responsive smart nanohybrids requires understanding the mechanisms governing active control. Ensemble techniques have identified inhomogeneous polymer collapse in microgels that potentially arise from heterogeneous interchain interactions and differences in core size. A single-particle examination would establish the influence of core size and internal polymer network heterogeneity on local interactions that contribute to the observed inhomogeneous polymer collapse dynamics of nanohybrids. Using single-particle dark-field spectroscopy, we investigated the complex polymer collapse profiles of core–shell plasmonic nanohybrids comprising thermoresponsive poly(N-isopropylacrylamide) (pNIPAM)-encapsulated gold nanorods (AuNRs). We report that the polymer collapse behavior was independent of the core size. For thinner polymer shells, we observed hysteresis in the collapse of AuNR@pNIPAMs, likely related to local pNIPAM aggregation due to interchain hydrogen bonding. For thicker polymer shells, we observed a broad polymer collapse distribution that we attributed to a two-step phase transition that arises from a polymer network density gradient. Furthermore, our single-particle approach relates the internal heterogeneity of the polymer network of nanohybrids to the mechanisms underlying heterogeneous phase transitions that traditional, ensemble-averaged approaches are unable to discern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Grid Services Load Shift Baseline Degradation Analysis Methodology v1

As demand flexibility becomes more common, the mix and frequency of a range of demand flexibility strategies will introduce potential biases into baselines, i.e., the time period immediately prior to a LS event may include other LS or DF events. Baseline degradation assessment provides an approach to quantify how these biases begin to compromise predictive accuracy. Heatmaps, based on each month of the year provides a granular view of a given model's predictive capability. However, for comparing multiple algorithms, separately for weekdays and weekends, aggregating results to seasons provides a simpler means of comparison while still allowing for review of variations by time of day and time of year

Fernandes, Samuel↗
DOE OSTI2022

Vehicle-to-manufacturing (V2M) system: A novel approach to improve energy demand flexibility for demand response towards sustainable manufacturing

The U.S. manufacturing sector accounts for 77% of the industrial energy consumption, but its participation in demand response (DR) programs is largely lagged behind. The limited flexibility in production scheduling under high capacity utilization and the lack of DR schemes that incorporate energy demand flexibility measures are deemed as major barriers. In this study, a framework of the interactive vehicles-to-manufacturing (V2M) energy sharing system is proposed to improve the energy demand flexibility of the aggregated system and enhance the DR effectiveness for manufacturers. The V2M-based DR scheme aims to reduce the energy cost by load shifting through joint production and energy sharing control, which can eventually promote manufacturing DR implementation even under high capacity utilization requirements and dynamic real-time electricity prices. The V2M system is modeled based on a discrete-Markov chain considering the complex interconnections among various manufacturing resources and multi-directional energy flows among manufacturing facilities, electric vehicles, and the power grid. Based on the system model, a mixed-integer nonlinear programming (MINLP) problem is formulated to identify the optimal DR scheme. The effectiveness of the proposed approach is validated through comparisons with traditional manufacturing DR schemes. Finally, the results show that a 2.1 to 6.5 times energy demand flexibility improvement and an additional 4.7% to 6.9% energy cost reduction can be achieved by the proposed approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Mechanism Analysis of Wind Turbine Var Oscillations

Electromagnetic transient simulation of parallel connected 4-MW type-3 wind turbines based on original equipment manufacturer's real-code turbine model shows 1.2-Hz turbine-turbine oscillations in reactive power. This letter reveals why such oscillations occur in the individual var measurement, while being insignificant in the total var measurement, regardless of the varying grid impedance. We adopt two analysis approaches: open-loop single-input single-output analysis and network decomposition. The two approaches differ in their treatment of turbine-network interaction. The open-loop analysis shows that the turbine-turbine oscillation mode is due to an open-loop system pole being attracted to an open-loop system zero. Furthermore, we use network decomposition method to explain why this mode is observable in individual vars while not observable in the total var. The entire system of n -turbines can be viewed as n decoupled circuits. For the two-turbine case, the system has an aggregated mode and a turbine-turbine oscillation mode. Here, the aggregated mode is associated with a circuit associated with the total var, while the turbine-turbine oscillation mode is associated with the var difference and is insensitive to the grid parameters.

17 WIND ENERGY↗
DOE OSTI2021

Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main-group and Transition-Metal Clusters from Bonding and Magnetic Analyses

Synthetic exploration and theoretical characterization of metal clusters are actively developing branches of modern inorganic chemistry. Advances in these areas constantly expand the rich structural diversity of viable species, allowing a detailed study of the fundamental characteristics of bench-stable compounds. In this minireview, we summarize recent achievements in synthesis and computational analyses of main-group and heterometallic clusters containing multiple aromatic/antiaromatic units. These systems range from bare clusters to ligand-decorated aggregates, providing a fundamental understanding of the aromaticity and antiaromaticity concepts in species exhibiting unprecedented shapes and composition. The review gives a comprehensive summary of bonding and magnetic response properties of such systems deciphered from the Adaptive Natural Density Partitioning (AdNDP) approach and induced magnetic field analyses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

DOME: Directional medical embedding vectors from Electronic Health Records

Motivation: The increasing availability of Electronic Health Record (EHR) systems has created enormous potential for translational research. Recent developments in representation learning techniques have led to effective large-scale representations of EHR concepts along with knowledge graphs that empower downstream EHR studies. However, most existing methods require training with patient-level data, limiting their abilities to expand the training with multi-institutional EHR data. On the other hand, scalable approaches that only require summary-level data do not incorporate temporal dependencies between concepts. Methods: We introduce a DirectiOnal Medical Embedding (DOME) algorithm to encode temporally directional relationships between medical concepts, using summary-level EHR data. Specifically, DOME first aggregates patient-level EHR data into an asymmetric co-occurrence matrix. Then it computes two Positive Pointwise Mutual Information (PPMI) matrices to correspondingly encode the pairwise prior and posterior dependencies between medical concepts. Following that, a joint matrix factorization is performed on the two PPMI matrices, which results in three vectors for each concept: a semantic embedding and two directional context embeddings. They collectively provide a comprehensive depiction of the temporal relationship between EHR concepts. Results: We highlight the advantages and translational potential of DOME through three sets of validation studies. First, DOME consistently improves existing direction-agnostic embedding vectors for disease risk prediction in several diseases, for example achieving a relative gain of 5.5% in the area under the receiver operating characteristic (AUROC) for lung cancer. Second, DOME excels in directional drug-disease relationship inference by successfully differentiating between drug side effects and indications, correspondingly achieving relative AUROC gain over the state-of-the-art methods by 10.8% and 6.6%. Finally, DOME effectively constructs directional knowledge graphs, which distinguish disease risk factors from comorbidities, thereby revealing disease progression trajectories. The source codes are provided at https://github.com/celehs/Directional-EHRembedding.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Artificial Intelligence for Data Center Operations (AIOps): Cooperative Research and Development (Final Report)

High performance computing data centers will increasingly need to rely on automation to keep pace with exascale growth in compute capability and to manage and optimize the data center environment and facility resources. Artificial intelligence and machine learning approaches provide the means to improve HPC data center operational efficiency, by learning historical trends and training models to operate on real-time data collected from both IT and facilities sources. NREL has developed methods of real-time collection, aggregation and streaming of these data in the ESIF HPC Data Center and has collected a significant dataset of relevant metrics across computer systems, racks, environmental, building and utility sources for research into various predictive analytics problems. HPE's Advanced Technology Group (ATG) is doing comprehensive research into exascale monitoring and management for High Performance Computing (HPC) systems (hereinafter HPE's Data Monitoring/ Management Technology). NREL and HPE will collaborate to add Artificial Intelligence (AI) to NREL's real-time data collection/ aggregation/ streaming system and HPE's Data Monitoring/ Management System, with the goal of improving the operational efficiency of NREL's Energy Systems Integration Facility (ESIF) HPC Data Center through data analytics on both historical and real-time data from IT systems and facilities operations. This collaboration will consist of efforts in Data Management, Data Analytics, and AI/ML Optimization for both manual and autonomous intervention in data center operations. This will be a multi-year, multi-staged effort with a goal towards building capabilities for an Advanced Smart Facility, and demonstration of these techniques in the NREL ESIF HPC Data Center.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

From Zero to Integration in Eight Months, the Dawn Ground Data System Engineering Challenge

The Dawn GDS Team met the SC Sim integration challenge in eight months. The GDS System Engineering approach in response to the SC Simintegration challenge, focused on a set of key practices: decomposition of project request into manageable requirements; integration of multiple ground disciplines and experts into a focused team effort; risk management thru management of expectations; and aggregation of intermediate products into a final product. By maintaining a a system-level focus, the overall systems engineering process unified team GDS Team members with a common goal: the success of the ground system as a whole and not just the success of their individual expert contributions. Incorporation of Agile-type development efforts were aligned with a risk strategy based on team-oriented principles and expectations management, thus achieving a more stable baseline solution without compromising the integrity of the GDS design.

Dawn Mission↗
DOE OSTI2020

Comparing traditional and Bayesian approaches to ecological meta‐analysis

Abstract Despite the wide application of meta‐analysis in ecology, some of the traditional methods used for meta‐analysis may not perform well given the type of data characteristic of ecological meta‐analyses. We reviewed published meta‐analyses on the ecological impacts of global climate change, evaluating the number of replicates used in the primary studies ( n i ) and the number of studies or records ( k ) that were aggregated to calculate a mean effect size. We used the results of the review in a simulation experiment to assess the performance of conventional frequentist and Bayesian meta‐analysis methods for estimating a mean effect size and its uncertainty interval. Our literature review showed that n i and k were highly variable, distributions were right‐skewed and were generally small (median n i = 5, median k = 44). Our simulations show that the choice of method for calculating uncertainty intervals was critical for obtaining appropriate coverage (close to the nominal value of 0.95). When k was low (<40), 95% coverage was achieved by a confidence interval (CI) based on the t distribution that uses an adjusted standard error (the Hartung–Knapp–Sidik–Jonkman, HKSJ), or by a Bayesian credible interval, whereas bootstrap or z distribution CIs had lower coverage. Despite the importance of the method to calculate the uncertainty interval, 39% of the meta‐analyses reviewed did not report the method used, and of the 61% that did, 94% used a potentially problematic method, which may be a consequence of software defaults. In general, for a simple random‐effects meta‐analysis, the performance of the best frequentist and Bayesian methods was similar for the same combinations of factors ( k and mean replication), though the Bayesian approach had higher than nominal (>95%) coverage for the mean effect when k was very low ( k < 15). Our literature review suggests that many meta‐analyses that used z distribution or bootstrapping CIs may have overestimated the statistical significance of their results when the number of studies was low; more appropriate methods need to be adopted in ecological meta‐analyses.

Pappalardo, Paula↗
DOE OSTI2021

Real-time streamflow forecasting: AI vs. Hydrologic insights

In this paper, we propose a set of simple benchmarks for the evaluation of data-based models for real-time streamflow forecasting, such as those developed with sophisticated Artificial Intelligence (AI) algorithms. The benchmarks are also data-based and provide context to judge incremental improvements in the performance metrics from the more complicated approaches. The benchmarks include temporal and spatial persistence, persistence corrected for baseflow and streamflow, as well as river distance weighted runoff obtained from space-time distributed rainfall. In the development of the benchmarks, we use basic hydrologic insights such as flow aggregation by the river network, scale-dependence in basin response, streamflow partitioning into quick flow and baseflow, water travel time, and rainfall averaging by the basin width function. The study uses 140 streamflow gauges in Iowa that cover a range of basin scales between 7 and 37,000 km 2 . The data cover 17 years. This work demonstrates that the proposed benchmarks can provide good performance according to several commonly used metrics. For example, streamflow forecasting at half of the test locations across years achieves a Kling-Gupta Efficiency (KGE) score of 0.6 or higher at one-day ahead lead time, and 20% of cases reach the KGE of 0.8 or higher. The proposed benchmarks are easy to implement and should prove useful for developers of data-based as well as physics-based hydrologic models and real-time data assimilation techniques.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Burning Embers: Towards more transparent and robust climate change risk assessments

The Intergovernmental Panel on Climate Change (IPCC) assessments provide policy-relevant insights about climate impacts, vulnerabilities, and adaptation through a process of peer-reviewed literature assessments underpinned by expert judgement. An iconic output from these assessments is the “burning embers” diagram. Burning embers were first used in the Third Assessment Report to visualize reasons for concern, which aggregate risks from various systems and sectors. In these diagrams, colour transitions show changes in the assessed level of risk to humans and ecosystems as a function of climate change indicated by increasing levels of global mean temperature. Here we review the approach to the construction of burning embers, its evolution across the various IPCC reports, and recent methodological advances in the elicitation process to reduce subjectivity in the expert judgement and improve the transparency of the assessment. We recommend the use of a standardized, transparent process of expert elicitation in the production of burning embers diagrams to enhance their quality, comparability, and credibility.

Zommers, Zinta↗
DOE OSTI2020

Efficient, Predictive Tomography of Multi-Qubit Quantum Processors

After decades of R&D, quantum computers comprising more than 2 qubits are appearing. If this progress is to continue, the research community requires a capability for precise characterization (“tomography”) of these enlarged devices, which will enable benchmarking, improvement, and finally certification as mission-ready. As world leaders in characterization -- our gate set tomography (GST) method is the current state of the art – the project team is keenly aware that every existing protocol is either (1) catastrophically inefficient for more than 2 qubits, or (2) not rich enough to predict device behavior. GST scales poorly, while the popular randomized benchmarking technique only measures a single aggregated error probability. This project explored a new insight: that the combinatorial explosion plaguing standard GST could be avoided by using an ansatz of few-qubit interactions to build a complete, efficient model for multi-qubit errors. We developed this approach, prototyped it, and tested it on a cutting-edge quantum processor developed by Rigetti Quantum Computing (RQC), a US-based startup. We implemented our new models within Sandia’s PyGSTi open-source code, and tested them experimentally on the RQC device by probing crosstalk. We found two major results: first, our schema worked and is viable for further development; second, while the Rigetti device is indeed a “real” 8-qubit quantum processor, its behavior fluctuated significantly over time while we were experimenting with it and this drift made it difficult to fit our models of crosstalk to the data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

3D reconstruction identifies loci linked to variation in angle of individual sorghum leaves

Selection for yield at high planting density has reshaped the leaf canopy of maize, improving photosynthetic productivity in high density settings. Further optimization of canopy architecture may be possible. However, measuring leaf angles, the widely studied component trait of leaf canopy architecture, by hand is a labor and time intensive process. Here, we use multiple, calibrated, 2D images to reconstruct the 3D geometry of individual sorghum plants using a voxel carving based algorithm. Automatic skeletonization and segmentation of these 3D geometries enable quantification of the angle of each leaf for each plant. The resulting measurements are both heritable and correlated with manually collected leaf angles. This automated and scaleable reconstruction approach was employed to measure leaf-by-leaf angles for a population of 366 sorghum plants at multiple time points, resulting in 971 successful reconstructions and 3,376 leaf angle measurements from individual leaves. A genome wide association study conducted using aggregated leaf angle data identified a known large effect leaf angle gene, several previously identified leaf angle QTL from a sorghum NAM population, and novel signals. Genome wide association studies conducted separately for three individual sorghum leaves identified a number of the same signals, a previously unreported signal shared across multiple leaves, and signals near the sorghum orthologs of two maize genes known to influence leaf angle. Automated measurement of individual leaves and mapping variants associated with leaf angle reduce the barriers to engineering ideal canopy architectures in sorghum and other grain crops.

3D reconstruction↗
NASA NTRS1985

Integrated risk/cost planning models for the US Air Traffic system

A prototype network planning model for the U.S. Air Traffic control system is described. The model encompasses the dual objectives of managing collision risks and transportation costs where traffic flows can be related to these objectives. The underlying structure is a network graph with nonseparable convex costs; the model is solved efficiently by capitalizing on its intrinsic characteristics. Two specialized algorithms for solving the resulting problems are described: (1) truncated Newton, and (2) simplicial decomposition. The feasibility of the approach is demonstrated using data collected from a control center in the Midwest. Computational results with different computer systems are presented, including a vector supercomputer (CRAY-XMP). The risk/cost model has two primary uses: (1) as a strategic planning tool using aggregate flight information, and (2) as an integrated operational system for forecasting congestion and monitoring (controlling) flow throughout the U.S. In the latter case, access to a supercomputer is required due to the model's enormous size.

Mulvey, J. M.↗