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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 775 records · Page 43

Loop Gain and Circuit Parameters for Residual Carrier Tracking in the Advanced DSN Block V Receiver

A circuit level analysis for residual carrier tracking of a deep space network signal by a proposed Block V receiver as conceived by the Receiver Advanced Development Team is presented. The objective is to aid the circuit designer in selection of loop parameters to achieve the required performance objectives. The topics specifically addressed are: (1) loop stability and gain requirements, (2) loop component parametric equations, and (3) phase detector technology.

Young, P. H.↗

Resilient Operation of Networked Community Microgrids with High Solar Penetration

This project, funded by the US Department of Energy’s Solar Energy Technologies Office (SETO), focused on the operation of microgrids as a coordinated network. The primary objective, which was successfully achieved, was to develop both control strategies and hardware solutions to support the resilient and efficient operation of networked microgrids with high solar penetration. The work was structured around the following four main tasks: • Development of distributed and scalable optimization algorithms for AC-coupled networked microgrids. • Design and implementation of a novel DC interconnection hardware to enable precise power exchange between microgrids. • Laboratory operational validation of the developed technologies using 480 V testbeds and commercially available hardware. • Field operational validation of the complete solution in Adjuntas, Puerto Rico, interconnecting two kW-scale, split-phase microgrids of Casa Pueblo’s microgrids. This project addressed multiple technical challenges across the domains of optimization, control, hardware interconnection, and protection. One of its key contributions was delivering tangible, real-world solutions for networking microgrids. In contrast to purely theoretical or simulation-based work, this project included full-scale hardware operational validation both in the lab and in the field. The work conducted as part of this project—in collaboration with the University of Puerto Rico; the University of Tennessee, Knoxville; the University of Central Florida; and Casa Pueblo—has advanced the state of the art in networked microgrids. Key contributions include the development of distributed control strategies, practical solutions for real-world implementation challenges, and the introduction of a novel DC interlink approach for microgrid interconnection. The project featured both laboratory and field validation using commercial off-the-shelf components. The field deployment successfully validated that a group of microgrids can operate in a coordinated manner, enabling precise power flow between systems and mutual support during extreme events. This project resulted in 15 journal publications and 15 conference papers; 5 graduate students and 15 undergraduate students were supported. The codes of distributed optimization and forecasting were made open-source through OSTI.gov for distributed optimization and forecasting. All the publications are available in the ORNL-hosted project landing page. The DC interlink with state-of-charge balancing control was operationally validated in Adjuntas by interconnecting two real-world, 240 V split-phase microgrids. To the best knowledge of the team, this represents the first operational validation of AC microgrids interconnected via DC-interlinks. As a culmination of this project, a follow-on grant was awarded to support the technology transfer of the distributed optimization framework to a commercial microgrid controller, Stellar Edge, developed by the California-based company New Sun Road.

14 SOLAR ENERGY↗

Altered fibrin clot properties in advanced lung cancer: strong impact of cigarette smoking

Background: Dense fibrin networks resistant to lysis have been reported in patients at high risk of thromboembolism. Little is known about fibrin clot properties in cancer. We investigated fibrin clot properties and their determinants in patients with inoperable lung cancer. Methods: We enrolled 150 patients with advanced lung cancer prior to therapy and 90 control subjects matched by age, sex, cardiovascular disease, and diabetes. Plasma clot permeability (K{sub s}), turbidimetric analysis of clot formation, clot lysis time (CLT), microparticle-associated tissue factor (MP-TF) activity, thrombin generation, and serum cotinine levels were determined. Results: Lung cancer patients, compared with controls, formed at a faster rate (− 8.1% lag phase) denser plasma fibrin networks (− 27.2% K{sub s}) that displayed impaired lysis (+ 26.5% CLT), along with 19.5% higher MP-TF activity and 100% higher peak thrombin generated, also after adjustment for potential confounders. Cotinine levels were associated with fibrin maximum absorbance (r = 0.20, p = 0.016) and K{sub s} (r = − 0.50, p < 0.0001) in cancer patients. On multivariate regression analysis, an increase in cotinine levels was a predictor of low K{sub s} (the lower quartile, < 5.8 × 10{sup −9} cm{sup 2}; odds ratio = 1.21 per 10 ng/ml, 95% confidence interval 1.02–1.46), but not CLT. Conclusion: Advanced lung cancer is associated with the prothrombotic plasma clot phenotype largely driven by smoking.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Amplify scientific discovery with artificial intelligence

Computing innovations have fundamentally changed many aspects of scientific inquiry. For example, advances in robotics, high-end computing, networking, and databases now underlie much of what we do in science such as gene sequencing, general number crunching, sharing information between scientists, and analyzing large amounts of data. As computing has evolved at a rapid pace, so too has its impact in science, with the most recent computing innovations repeatedly being brought to bear to facilitate new forms of inquiry. Recently, advances in Artificial Intelligence (AI) have deeply penetrated many consumer sectors, including for example Apple’s Siri™ speech recognition system, real-time automated language translation services, and a new generation of self-driving cars and self-navigating drones. However, AI has yet to achieve comparable levels of penetration in scientific inquiry, despite its tremendous potential in aiding computers to help scientists tackle tasks that require scientific reasoning. We contend that advances in AI will transform the practice of science as we are increasingly able to effectively and jointly harness human and machine intelligence in the pursuit of major scientific challenges.

artificial intelligence↗

Investigation of the role of hydrophilic chain length in amphiphilic perfluoropolyether/poly(ethylene glycol) networks: towards high-performance antifouling coatings

The facile preparation of amphiphilic network coatings having a hydrophobic dimethacryloxy-functionalized perfluoropolyether (PFPE-DMA; M{sub w} = 1500 g mol{sup -1}) crosslinked with hydrophilic monomethacryloxy functionalized poly(ethylene glycol) macromonomers (PEG-MA; M{sub w} = 300, 475, 1100 g mol{sup -1}), intended as non-toxic high-performance marine coatings exhibiting antifouling characteristics is demonstrated. The PFPE-DMA was found to be miscible with the PEG-MA. Photo-cured blends of these materials containing 10 wt% of PEG-MA oligomers did not swell significantly in water. PFPE-DMA crosslinked with the highest molecular weight PEG oligomer (ie PEG1100) deterred settlement (attachment) of algal cells and cypris larvae of barnacles compared to a PFPE control coating. Dynamic mechanical analysis of these networks revealed a flexible material. Preferential segregation of the PEG segments at the polymer/air interface resulted in enhanced antifouling performance. The cured amphiphilic PFPE/PEG films showed decreased advancing and receding contact angles with increasing PEG chain length. In particular, the PFPE/PEG1100 network had a much lower advancing contact angle than static contact angle, suggesting that the PEG1100 segments diffuse to the polymer/water interface quickly. The preferential interfacial aggregation of the larger PEG segments enables the coating surface to have a substantially enhanced resistance to settlement of spores of the green seaweed Ulva, cells of the diatom Navicula and cypris larvae of the barnacle Balanus amphitrite as well as low adhesion of sporelings (young plants) of Ulva, adhesion being lower than to a polydimethyl elastomer, Silastic T2.

36 MATERIALS SCIENCE↗

UNEDF: Advanced Scientific Computing Collaboration Transforms the Low-Energy Nuclear Many-Body Problem

The demands of cutting-edge science are driving the need for larger and faster computing resources. With the rapidly growing scale of computing systems and the prospect of technologically disruptive architectures to meet these needs, scientists face the challenge of effectively using complex computational resources to advance scientific discovery. Multi-disciplinary collaborating networks of researchers with diverse scientific backgrounds are needed to address these complex challenges. The UNEDF SciDAC collaboration of nuclear theorists, applied mathematicians, and computer scientists is developing a comprehensive description of nuclei and their reactions that delivers maximum predictive power with quantified uncertainties. This paper describes UNEDF and identifies attributes that classify it as a successful computational collaboration. Finally, we illustrate significant milestones accomplished by UNEDF through integrative solutions using the most reliable theoretical approaches, most advanced algorithms, and leadership-class computational resources.

Nam, H.↗

The Feasibility of Moving PMU Data in the Future Power Grid

The power grid is a complex network connecting electricity providers with their consumers. With an increasing consumer base requiring more resources and the requirement to integrate significant renewable sources, maintaining the network requires new and innovative management solutions. To manage this complexity and provide precise, real-time views of the grid, Phasor Measurement Units (PMUs) are undergoing widespread deployment. These units provide measurements as often as 60 times per second, with an accurate time identifier attached to each reading, enabling real-time monitoring of the network. However, this new capability generates much more data than the current infrastructure is designed to handle. With the expectation that there will eventually be tens of thousands of PMUs monitoring the transmission lines, the power community is looking towards accumulating multiple terabytes of data per day - several orders of magnitude beyond current data acquisition rates. This has led to questions being raised in the power community about whether or not a significant research effort is required to effectively transfer the volume of information generated by these new data streams. This paper answers that question by comparing a worst-case data generation scenario with several alternative networking protocols and historical trends in protocol advancement. Based on this analysis we are able to conclude that transferring the information between the PMUs and the resulting data repositories is feasible. We recognize that there are issues beyond transferring the data that need to be addressed such as effective access to historical data, data transfer latency, cyber security, and data analysis. There is also an extensive engineering trade-off that the power companies will need to make to decide the best mix of networking protocols for their particular PMU deployments, since that requires significant assumptions about proprietary information including deployment cost, deployment schedules, PMU locations, and available resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗

History of chemically and radiatively important atmospheric gases from the Advanced Global Atmospheric Gases Experiment (AGAGE)

In the ALE/GAGE/AGAGE global network program, continuous high frequency gas chromatographic measurements of four biogenic/anthropogenic gases (methane, CH4; nitrous oxide, N2O; hydrogen, H; and carbon monoxide, CO) and several anthropogenic gases that contribute to stratospheric ozone destruction and/or to the greenhouse effect have been carried out at five globally distributed sites for several years. The program, which began in 1978, is divided into three parts associated with three changes in instrumentation: the Atmospheric Lifetime Experiment (ALE), which used Hewlett Packard HP5840 gas chromatographs; the Global Atmospheric Gases Experiment (GAGE), which used HP5880 gas chromatographs; and the present Advanced GAGE (AGAGE). AGAGE uses two types of instruments: a gas chromatograph with multiple detectors (GC-MD), and a gas chromatograph with mass spectrometric analysis (GC-MS). Beginning in January 2004, an improved cryogenic preconcentration system (Medusa) replaced the absorption-desorption module in the GC-MS systems at Mace Head and Cape Grim; this provided improved capability to measure a broader range of volatile perfluorocarbons with high global warming potentials. More information may be found at the AGAGE home page: https://agage.mit.edu/instruments.In the latest update (Agage_gcmd_gcms_data_2020_07_04_tar.gz), all AGAGE data up to Sep. 2019 is included. A new compound, PFC-318, is also included in this update. For all released compounds and scales used by the AGAGE network, please see the "AGAGE_scale_2020_v2.pdf" file (included in "Agage_gcmd_gcms_data_2020_07_04_tar.gz").

54 ENVIRONMENTAL SCIENCES↗

Physics-Guided, Physics-Informed, and Physics-Encoded Neural Networks and Operators in Scientific Computing: Fluid and Solid Mechanics

Abstract Advancements in computing power have recently made it possible to utilize machine learning and deep learning to push scientific computing forward in a range of disciplines, such as fluid mechanics, solid mechanics, materials science, etc. The incorporation of neural networks is particularly crucial in this hybridization process. Due to their intrinsic architecture, conventional neural networks cannot be successfully trained and scoped when data are sparse, which is the case in many scientific and engineering domains. Nonetheless, neural networks provide a solid foundation to respect physics-driven or knowledge-based constraints during training. Generally speaking, there are three distinct neural network frameworks to enforce the underlying physics: (i) physics-guided neural networks (PgNNs), (ii) physics-informed neural networks (PiNNs), and (iii) physics-encoded neural networks (PeNNs). These methods provide distinct advantages for accelerating the numerical modeling of complex multiscale multiphysics phenomena. In addition, the recent developments in neural operators (NOs) add another dimension to these new simulation paradigms, especially when the real-time prediction of complex multiphysics systems is required. All these models also come with their own unique drawbacks and limitations that call for further fundamental research. This study aims to present a review of the four neural network frameworks (i.e., PgNNs, PiNNs, PeNNs, and NOs) used in scientific computing research. The state-of-the-art architectures and their applications are reviewed, limitations are discussed, and future research opportunities are presented in terms of improving algorithms, considering causalities, expanding applications, and coupling scientific and deep learning solvers.

Computer Science↗

The Impact of Traffic Prioritization on Deep Space Network Mission Traffic

A select number of missions supported by NASA's Deep Space Network (DSN) are demanding very high data rates. For example, the Kepler Mission was launched March 7, 2009 and at that time required the highest data rate of any NASA mission, with maximum rates of 4.33 Mb/s being provided via Ka band downlinks. The James Webb Space Telescope will require a maximum 28 Mb/s science downlink data rate also using Ka band links; as of this writing the launch is scheduled for a June 2014 launch. The Lunar Reconnaissance Orbiter, launched June 18, 2009, has demonstrated data rates at 100 Mb/s at lunar-Earth distances using NASA's Near Earth Network (NEN) and K-band. As further advances are made in high data rate space telecommunications, particularly with emerging optical systems, it is expected that large surges in demand on the supporting ground systems will ensue. A performance analysis of the impact of high variance in demand has been conducted using our Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE) simulation tool. A comparison is made regarding the incorporation of Quality of Service (QoS) mechanisms and the resulting ground-to-ground Wide Area Network (WAN) bandwidth necessary to meet latency requirements across different user missions. It is shown that substantial reduction in WAN bandwidth may be realized through QoS techniques when low data rate users with low-latency needs are mixed with high data rate users having delay-tolerant traffic.

prioritization↗

The Impact of Traffic Prioritization on Deep Space Network Mission Traffic

A select number of missions supported by NASA's Deep Space Network (DSN) are demanding very high data rates. For example, the Kepler Mission was launched March 7, 2009 and at that time required the highest data rate of any NASA mission, with maximum rates of 4.33 Mb/s being provided via Ka band downlinks. The James Webb Space Telescope will require a maximum 28 Mb/s science downlink data rate also using Ka band links; as of this writing the launch is scheduled for a June 2014 launch. The Lunar Reconnaissance Orbiter, launched June 18, 2009, has demonstrated data rates at 100 Mb/s at lunar-Earth distances using NASA's Near Earth Network (NEN) and K-band. As further advances are made in high data rate space telecommunications, particularly with emerging optical systems, it is expected that large surges in demand on the supporting ground systems will ensue. A performance analysis of the impact of high variance in demand has been conducted using our Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE) simulation tool. A comparison is made regarding the incorporation of Quality of Service (QoS) mechanisms and the resulting ground-to-ground Wide Area Network (WAN) bandwidth necessary to meet latency requirements across different user missions. It is shown that substantial reduction in WAN bandwidth may be realized through QoS techniques when low data rate users with low-latency needs are mixed with high data rate users having delay-tolerant traffic.

quality of service↗

Optimization strategies for produced water networks with integrated desalination facilities

Optimal management and desalination of produced water is a major challenge for U.S. oil and gas development. Integrating rigorous desalination models into multi-period produced water network optimization problems presents several hurdles, which need to be tackled using advanced optimization strategies. Here, in this work, a novel multi-period produced water network formulation with separate solid and liquid flows is introduced to avoid singularities at zero flows. Rigorous steady state desalination models based on mechanical vapor recompression are embedded at the desalination sites in the network model. An integrated optimization formulation is developed to co-optimize the design of desalination units along with the operation of the network. Furthermore, a more robust approach based on the trust region filter method is developed to efficiently integrate complex desalination models into the multi-period planning problem. Both optimization approaches are demonstrated on a produced water network from the PARETO library (Drouven et al., 2022) using thermal desalination units. Our results show that while the TRF and integrated approaches have comparable solve times, the TRF approach has better performance reliability in terms of solver convergence. Furthermore, the optimal solution obtained by embedding rigorous models into the network is significantly different than when desalination costs are approximated using simple cost models, which motivates further research in this field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Toward accelerating rare-earth metal extraction using equivariant neural networks

The separation of rare-earth metals, vital for numerous advanced technologies, is hampered by their similar chemical properties, making ligand discovery a significant challenge. Traditional experimental and quantum chemistry approaches for identifying effective ligands are often resource-intensive. We introduce a machine learning protocol based on an equivariant neural network, Allegro, for the rapid and accurate prediction of binding energies in rare-earth complexes. Key to this work is our newly curated dataset of rare-earth metal complexes—made publicly available to foster further research—systematically generated using the Architector program. This dataset distinctively features functionalized derivatives of proven rare-earth-chelating scaffolds, hydroxypyridinone (HOPO), catecholamide (CAM), and their thio-analogues, selected for their established efficacy in binding these elements. Trained on this valuable resource, our Allegro models demonstrate excellent performance, particularly when trained to directly predict DFT-level binding energies, yielding highly accurate results that closely correlate with theoretical calculations on a diverse test set. Furthermore, this strategy exhibited strong out-of-sample generalization, accurately predicting binding energies for an isomeric HOPO-derivative ligand not seen during training. By substantially reducing computational demands, this machine learning framework, alongside the provided dataset, represent powerful tools to accelerate the high-throughput screening and rational design of novel ligands for efficient rare-earth metal separation.

Gupta, Ankur K. [Lawrence Berkeley National Labora↗

Enabling Communication and Navigation Technologies for Future Near Earth Science Missions

In 2015, the Earth Regimes Network Evolution Study (ERNESt) proposed an architectural concept and technologies that evolve to enable space science and exploration missions out to the 2040 timeframe. The architectural concept evolves the current instantiations of the Near Earth Network and Space Network with new technologies to provide a global communication and navigation network that provides communication and navigation services to a wide range of space users in the near Earth domain. The technologies included High Rate Optical Communications, Optical Multiple Access (OMA), Delay Tolerant Networking (DTN), User Initiated Services (UIS), and advanced Position, Navigation, and Timing technology. This paper describes the key technologies and their current technology readiness levels. Examples of science missions that could be enabled by the technologies and the projected operational benefits of the architecture concept to missions are also described.

Laser↗

Imaging Fracture Networks Using Joint Seismic and Electrical Change Detection Techniques (Final Report)

During the initial phase of this SubTER project, we conducted a series of high resolution seismic imaging campaigns designed to characterize induced fractures. Fractures were emplaced using a novel explosive source, designed at Sandia National Laboratories, that limits damage to the borehole. This work provided evidence that fracture locations could be imaged at inch scales using high-frequency seismic tomography but left many fracture properties (i.e. permeability) unresolved. We present here the results of the second phase of the project, where we developed and demonstrated emerging seismic and electrical geophysical imaging technologies that characterize 1) the 3D extent and distribution of fractures stimulated from the explosive source, 2) 3D fluid transport within the stimulated fracture network through use of a contrasting tracer, and 3) fracture attributes through advanced data analysis. Focus was placed upon advancing these technologies toward near real-time acquisition and processing in order to help provide the feedback mechanism necessary to understand and control fracture stimulation and fluid flow. Results from this study include a comprehensive set of 4D cross-hole seismic and electrical data that take advantage of change detection methodologies allowing for perturbations associated with the fracture emplacement and particulate tracer to be isolated. During the testing the team also demonstrated near real-time 4D electrical resistivity tomography imaging and 4D seismic tomography using the CASSM approach with a temporal resolution approaching 1 minute. All of the data collected were used to develop methods of estimating fracture attributes from seismic data, develop methods of assimilating disparate and transient data sets to improve fracture network imaging resolution, and advance capabilities for near real-time inversion of cross-hole tomographic data. These results are illustrated here. Advancements in these areas are relevant to all situations where fracture emplacement is used for reservoir stimulation (e.g. Enhanced Geothermal Systems (EGS) and tight shale gases).

42 ENGINEERING↗

Physics-informed graph neural networks for predicting cetane number with systematic data quality analysis

Designing alternative fuels for advanced compression ignition engines necessitates a predictive model for cetane number (CN). In this study, the physics-informed graph neural networks are introduced for a reliable CN prediction by considering molecular features pertinent to the physical properties of molecules that affect CN. The reliability of measured data is another key factor to consider for improving the predictive model. Various experimental instruments for measuring CN exist, including standard and non-standard methods. In this regard, a systematic data quality analysis was carried out for the total 630 CNs collected from literature and new measurements in this study using Advanced Fuel Ignition Delay Analyzer (AFIDA). The results from this data curation process were reflected in the model by imposing lower sample weights on the data coming from less reliable measurement techniques. This approach effectively maximized the prediction accuracy while incorporating data from all available sources. Using the sample weights decreased the mean absolute error (MAE) up to 0.8 CN units. The accuracy was also improved by introducing the CN-related physical properties (the number of hydrogen bond donors and acceptors); the test set MAE is 5.74 and 7.01 for the model with and without such properties, respectively. Investigating molecular structural effects on CN was also carried out to gain chemical insights into factors used to design new fuel candidates. The dimensionality reduction analysis of feature vectors showed a clear clustering in terms of functional groups and CN and the structural effect derived from the model was consistent with the physicochemical insights. Finally, this physics-informed model and data curation would be helpful for accurate CN prediction and inform rational fuel design.

97 MATHEMATICS AND COMPUTING↗

Enhanced physics-constrained deep neural networks for modeling vanadium redox flow battery

Numerical simulation has become indispensable in advancing cost-effective process optimization and control of flow batteries. We propose an enhanced version of the physics-constrained deep neural network (PCDNN) approach to provide high-accuracy voltage predictions in the vanadium redox flow batteries (VRFBs). The purpose of the PCDNN approach is to enforce the physics-based zero-dimensional (0D) VRFB model in a neural network to assure model generalization for various battery operation conditions. However, limited by the simplifications of the 0D model, the PCDNN cannot capture sharp voltage changes in the extreme SOC regions. To improve the accuracy of voltage prediction at extreme ranges, we introduce a second (enhanced) DNN to mitigate the prediction errors carried from the 0D model itself and call the resulting approach enhanced PCDNN (ePCDNN). By comparing with experimental data, we demonstrate that the ePCDNN approach can accurately capture the voltage response throughout the charge–discharge cycle, including the tail region of the voltage discharge curve. The loss function for training the ePCDNN is designed to be flexible by adjusting the weights of the physics-constrained DNN and the enhanced DNN. In conclusion, this allows the ePCDNN framework to be transferable to battery systems with variable physical model fidelity.

25 ENERGY STORAGE↗