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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 1,675 records · Page 93

Air Traffic Management TestBed Traffic Viewer: Developer's Guide

The Air Traffic Management (ATM) TestBed is a Platform as a Service that is being developed by the National Aeronautics and Space Administration (NASA) to help design, configure, integrate, run, and monitor air traffic simulations. The platform is designed to provide cloud services including back-end, big-data analytics tools, on-demand computing resource management, data storage, and communication middleware. The ATM TestBed reduces the time to test concepts and technologies, supports interactions among various methods such as human-in-the-loop and automation-in-the-loop simulations, and enables collaborative simulations by sharing technologies and tools in the ATM community. The Traffic Viewer application provides a graphical user interface tool for visualizing real and simulated air traffic as well as airspace definition in two-dimensional space. This guide describes a high-level design and implementation of Traffic Viewer and provides information for a new developer or a user to add new capabilities by following the software design and leveraging existing capabilities.

Lai, Chok Fung↗

Building Electron/Proton Nanohighways for Full Utilization of Water Splitting Catalysts

Low electron/proton conductivities of electrochemical catalysts, especially earth-abundant nonprecious metal catalysts, severely limit their ability to satisfy the triple-phase boundary (TPB) theory, resulting in extremely low catalyst utilization and insufficient efficiency in energy devices. In this study, an innovative electrode design strategy is proposed to build electron/proton transport nanohighways to ensure that the whole electrode meets the TPB, therefore significantly promoting enhance oxygen evolution reactions and catalyst utilizations. It is discovered that easily accessible/tunable mesoporous Au nanolayers (AuNLs) not only increase the electrode conductivity by more than 4000 times but also enable the proton transport through straight mesopores within the Debye length. The catalyst layer design with AuNLs and ultralow catalyst loading (≈0.1 mg cm -2 ) augments reaction sites from 1D to 2D, resulting in an 18-fold improvement in mass activities. Furthermore, using microscale visualization and unique coplanar-electrode electrolyzers, the relationship between the conductivity and the reaction site is revealed, allowing for the discovery of the conductivity-determining and Debye-length-determining regions for water splitting. These findings and strategies provide a novel electrode design (catalyst layer + functional sublayer + ion exchange membrane) with a sufficient electron/proton transport path for high-efficiency electrochemical energy conversion devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Flow and Noise from Supersonic Plug Nozzles

Nozzles with external plugs are candidates for propulsion of future supersonic aircraft. A model-scale experimental study is conducted exploring the flow and noise characteristics of various plug nozzles. For a given outer nozzle, the plug geometry is varied from conic with various half-angles (lengths) to plugs designed by the method of characteristics (MoC) as well as truncated and porous plugs. So far, noise characteristics and schlieren flow visualization data have been acquired. Limited numerical simulations have also been done addressing thrust performance. The simulations show that the MoC plugs out-perform the conic cases, especially around high Mach number cruise conditions. The experimental data, however, show that the MoC plugs are noisy relative to the conic cases at low Mach number landing and takeoff (LTO) conditions. The increased noise (with MoC at LTO) is accompanied by unsteady turbulent structures and increased jet spreading, as seen in schlieren pictures. At LTO, the longest conic plug is found to be the least noisy. Furthermore, a porous surface on the long conic plug effectively suppresses broadband shock associated noise (BBSN) at higher Mach numbers. Thus, a dilemma remains. MoC design gives best thrust performance at cruise but it is noisy at LTO. A long conic plug, on the other hand, is quieter at LTO but may have unacceptable thrust at cruise.

jets↗

Flow and noise from supersonic plug nozzles

Nozzles with external plugs are candidates for propulsion of future supersonic aircraft. A model-scale experimental study is conducted exploring the flow and noise characteristics of various plug nozzles. For a given outer nozzle, the plug geometry is varied from conic with various half-angles (lengths) to plugs designed by the method of characteristics (MoC) as well as truncated and porous plugs. So far, noise characteristics and schlieren flow visualization data have been acquired. Limited numerical simulations have also been done addressing thrust performance. The simulations show that the MoC plugs out-perform the conic cases, especially around high Mach number cruise conditions. The experimental data, however, show that the MoC plugs are noisy relative to the conic cases at low Mach number landing and takeoff (LTO) conditions. The increased noise (with MoC at LTO) is accompanied by unsteady turbulent structures and increased jet spreading, as seen in schlieren pictures. At LTO, the longest conic plug is found to be the least noisy. Furthermore, a porous surface on the long conic plug effectively suppresses broadband shock associated noise (BBSN) at higher Mach numbers. Thus, a dilemma remains. MoC design gives best thrust performance at cruise but it is noisy at LTO. A long conic plug, on the other hand, is quieter at LTO but may have unacceptable thrust at cruise.

jets↗

Exploratory Nuclear Reactor Safety Analysis and Visualization via Integrated Topological and Geometric Techniques

A recent trend in the nuclear power engineering field is the implementation of heavily computational and time consuming algorithms and codes for both design and safety analysis. In particular, the new generation of system analysis codes aim to embrace several phenomena such as thermo-hydraulic, structural behavior, and system dynamics, as well as uncertainty quantification and sensitivity analyses. The use of dynamic probabilistic risk assessment (PRA) methodologies allows a systematic approach to uncertainty quantification. Dynamic methodologies in PRA account for possible coupling between triggered or stochastic events through explicit consideration of the time element in system evolution, often through the use of dynamic system models (simulators). They are usually needed when the system has more than one failure mode, control loops, and/or hardware/process/software/human interaction. Dynamic methodologies are also capable of modeling the consequences of epistemic and aleatory uncertainties. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. The major challenges in using MC and DET methodologies (as well as other dynamic methodologies) are the heavier computational and memory requirements compared to the classical ET analysis. This is due to the fact that each branch generated can contain time evolutions of a large number of variables (about 50,000 data channels are typically present in RELAP) and a large number of scenarios can be generated from a single initiating event (possibly on the order of hundreds or even thousands). Such large amounts of information are usually very difficult to organize in order to identify the main trends in scenario evolutions and the main risk contributors for each initiating event. This report aims to improve Dynamic PRA methodologies by tackling the two challenges mentioned above using: 1) adaptive sampling techniques to reduce computational cost of the analysis and 2) topology-based methodologies to interactively visualize multidimensional data and extract risk-informed insights. Regarding item 1) we employ learning algorithms that aim to infer/predict simulation outcome and decide the coordinate in the input space of the next sample that maximize the amount of information that can be gained from it. Such methodologies can be used to both explore and exploit the input space. The later one is especially used for safety analysis scopes to focus samples along the limit surface, i.e. the boundaries in the input space between system failure and system success. Regarding item 2) we present a software tool that is designed to analyze multi-dimensional data. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

XScan: An Integrated Tool for Understanding Open Source Community-Based Scientific Code

Many scientific communities have adopted community-based models that integrate multiple components to simulate whole system dynamics. The community software projects’ complexity, stems from the integration of multiple individual software components that were developed under different application requirements and various machine architectures, has become a challenge for effective software system understanding and continuous software development. The paper presents an integrated software toolkit called X-ray Software Scanner (in abbreviation, XScan) for a better understanding of large-scale community-based scientific codes. Our software tool provides support to quickly summarize the overall information of scientific codes, including the number of lines of code, programming languages, external library dependencies, as well as architecture-dependent parallel software features. The XScan toolkit also realizes a static software analysis component to collect detailed structural information and provides an interactive visualization and analysis of the functions. We use a large-scale community-based Earth System Model to demonstrate the workflow, functions and visualization of the toolkit. We also discuss the application of advanced graph analytics techniques to assist software modular design and component refactoring.

Zheng, Weijian↗

Mode connectivity in the loss landscape of parameterized quantum circuits

Variational training of parameterized quantum circuits (PQCs) underpins many workflows employed on near-term noisy intermediate scale quantum (NISQ) devices. It is a hybrid quantum-classical approach that minimizes an associated cost function in order to train a parameterized ansatz. In this work we adapt the qualitative loss landscape characterization for neural networks introduced in Goodfellow et al. (2014); Li et al. (2017) and tests for connectivity used in Draxler et al. (2018) to study the loss landscape features in PQC training. We present results for PQCs trained on a simple regression task, using the bilayer circuit ansatz, which consists of alternating layers of parameterized rotation gates and entangling gates. Multiple circuits are trained with 3 different batch gradient optimizers: stochastic gradient descent, the quantum natural gradient, and Adam. We identify large features in the landscape that can lead to faster convergence in training workflows.

97 MATHEMATICS AND COMPUTING↗

Kinematic fixtures to enable multi-material printing and rapid non-destructive inspection during two-photon lithography

Here, two-photon lithography (TPL) is a polymerization based technique that enables additive manufacturing of millimeter scale parts with submicron features. TPL equipment is often based on retrofitted optical microscopes that lack precise registration capabilities. Consequently, slow and error-prone visual alignment to fiducials is necessary if registration to pre-existing features is required. Herein, we have designed, built, and tested precise kinematic fixtures that are repeatable to within ±315 nm (3σ value) and passively register the build surface to TPL equipment with an accuracy of ±1.7 μm. This enables one to sequentially print with multiple materials by building the structures directly on top of the kinematic fixtures. In addition, the same fixtures passively register to an X-ray computed tomography (CT) system to enable non-destructive 3D inspection that is integrated with the fabrication process. These fixtures (i) provide a practical means to handle micro-scale parts during non-destructive imaging, (ii) reduce the set-up time for X-ray CT from more than an hour to less than a few minutes, and (iii) eliminate operator uncertainty from the multi-material printing and imaging process. As such, these fixtures enable new printing and imaging functionalities that are critical for high-quality additive manufacturing of multi-material polymer parts with microscale and submicron features.

42 ENGINEERING↗

Trace benzene capture by decoration of structural defects in metal–organic framework materials

Abstract Capture of trace benzene is an important and challenging task. Metal–organic framework materials are promising sorbents for a variety of gases, but their limited capacity towards benzene at low concentration remains unresolved. Here we report the adsorption of trace benzene by decorating a structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X = Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti 8 O 8 (OH) 4 (BDC) 6 where H 2 BDC is 1,4-benzenedicarboxylic acid). At 298 K, MIL-125-Zn exhibits a benzene uptake of 7.63 mmol g −1 at 1.2 mbar and 5.33 mmol g −1 at 0.12 mbar, and breakthrough experiments confirm the removal of trace benzene (from 5 to <0.5 ppm) from air (up to 111,000 min g −1 of metal–organic framework), even after exposure to moisture. The binding of benzene to the defect and open Zn(II) sites at low pressure has been visualized by diffraction, scattering and spectroscopy. This work highlights the importance of fine-tuning pore chemistry for designing adsorbents for the removal of air pollutants.

Chemistry↗

Machine learning in electronic-quantum-matter imaging experiments

For centuries, the scientific discovery process has been based on systematic human observation and analysis of natural phenomena. Today, however, automated instrumentation and large-scale data acquisition are generating datasets of such large volume and complexity as to defy conventional scientific methodology. Radically different scientific approaches are needed, and machine learning (ML) shows great promise for research fields such as materials science. Given the success of ML in the analysis of synthetic data representing electronic quantum matter (EQM), the next challenge is to apply this approach to experimental data—for example, to the arrays of complex electronic-structure images17 obtained from atomic-scale visualization of EQM. Here we report the development and training of a suite of artificial neural networks (ANNs) designed to recognize different types of order hidden in such EQM image arrays. These ANNs are used to analyse an archive of experimentally derived EQM image arrays from carrier-doped copper oxide Mott insulators. In these noisy and complex data, the ANNs discover the existence of a lattice-commensurate, four-unit-cell periodic, translational-symmetry-breaking EQM state. Further, the ANNs determine that this state is unidirectional, revealing a coincident nematic EQM state. Here, strong-coupling theories of electronic liquid crystals are consistent with these observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of low temperature fuel cell holders for Operando x-ray micro and nano computed tomography to visualize water distribution

Abstract Synchrotron x-ray imaging techniques, like x-ray computed tomography (CT) and radiography have proven instrumental in expanding the communities knowledge of complex transport and reaction kinetics in electrochemical devices such as fuel cells and electrolyzers. This work presents the development of novel x-ray CT imaging techniques for operando visualization of water within low temperature fuel cells at spatial resolutions spanning the micro and nano scales. The design of operando sample holders, for both micro x-ray CT and nano CT experiments is described in depth, and prototypes of these sample holders were evaluated across a set of requirements, the most important of which are x-ray transmissibility, electrical conductivity and mechanical stability. Water segmentation from micro x-ray CT data was enabled by an image subtraction method, where the image without water is subtracted from the one with water. Through iterative experimentations, the operando nano CT cell was developed to optimize mechanical compression, electric conductivity and gas flow. While three-dimensional fuel cell reconstructions were shown possible, there remain challenges to overcome at typical lower energies (8 keV) due to beam damage, whereas it is not as significant for higher energies (>17.5 keV).

Kulkarni, Devashish↗

RCSB Protein Data Bank 1D tools and services

Abstract Motivation Interoperability between polymer sequences and structural data is essential for providing a complete picture of protein and gene features and helping to understand biomolecular function. Results Herein, we present two resources designed to improve interoperability between the RCSB Protein Data Bank, the NCBI and the UniProtKB data resources and visualize integrated data therefrom. The underlying tools provide a flexible means of mapping between the different coordinate spaces and an interactive tool allows convenient visualization of the 1-dimensional data over the web. Availabilityand implementation https://1d-coordinates.rcsb.org and https://rcsb.github.io/rcsb-saguaro. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Monitoring Operational States of a Nuclear Reactor Using Seismoacoustic Signatures and Machine Learning

Monitoring nuclear reactors is an important safety and security task with growing requirements. We explore the possibility of using seismic and acoustic data for inferring the power level of an operating reactor. Continuous data recorded at a single seismoacoustic station that is located about 50 m away from a research reactor was visualized and analyzed. The data show a clear correlation between seismoacoustic features and reactor main operational states. We designed a workflow that includes two machine learning (ML) models to classify the reactor operational states (OFF, transition, and ON) and estimate reactor power levels (10%, 30%, 50%, 70%, and 90%). We applied and compared five ML algorithms for the reactor OFF-transition-ON and four approaches for the power level classification. We also compared the performance of ML models trained with seismic-only, acoustic-only, and both types of data. Five-fold cross validations were implemented to assure a thorough evaluation of the model performances. Additionally, the results show the extreme boosting gradient algorithm worked best for the first model, whereas random forests performed best for the second model. Combining seismic and acoustic data leads to better performance than using a single type of data. Seismic data contributed more than acoustic data for both models. We reached an accuracy of 0.98 for reactor OFF and ON. The accuracies for the transition state and power levels are less optimal with a minimum accuracy of 0.66. However, our results suggest seismic and acoustic data contain useful information about the transition state as well as power levels. Seismic and acoustic data could be integrated with other observations to improve monitoring performance.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Parallel tools GUI framework-DOE SBIR phase I final technical report

Many parallel performance, profiling, and debugging tools require a graphical way of displaying the very large datasets typically gathered from high performance computing (HPC) applications. Most tool projects create their graphical user interfaces (GUI) from scratch, many times spending their project resources on simply redeveloping commonly used infrastructure. Our goal was to create a multiplatform GUI framework, based on Nokia/Digia’s popular Qt libraries, which will specifically address the needs of these parallel tools. The Parallel Tools GUI Framework (PTGF) uses a plugin architecture facilitating rapid GUI development and reduced development costs for new and existing tool projects by allowing the reuse of many common GUI elements, called “widgets.” Widgets created include, 2D data visualizations, a source code viewer with syntax highlighting, and integrated help and welcome screens. Application programming interface (API) design was focused on minimizing the time to getting a functional tool working. Having a standard, unified, and userfriendly interface which operates on multiple platforms will benefit HPC application developers by reducing training time and allowing users to move between tools rapidly during a single session. However, Argo Navis Technologies LLC will not be submitting a DOE SBIR Phase II proposal and commercialization plan for the PTGF project. Our preliminary estimates for gross income over the next several years was based upon initial customer interest and income generated by similar projects. Unfortunately, as we further assessed the market during Phase I, we grew to realize that there was not enough demand to warrant such a large investment. While we do find that the project is worth our continued investment of time and money, we do not think it worthy of the DOE's investment at this time. We are grateful that the DOE has afforded us the opportunity to make this assessment, and come to this conclusion.

97 MATHEMATICS AND COMPUTING↗

North Slope Decision Support for Water Resource Planning and Management (Final Technical Report)

The objective of this project was to enhance the water resource decision-making process with respect to oil and gas exploration/production activities on Alaska’s North Slope. To this end, a web-based software tool was developed to allow stakeholders to assemble, evaluate, and communicate relevant information between and amongst themselves. The software, termed North Slope Decision Support System (NSDSS), is a visually-referenced database that provides a platform for running complex natural system, planning, and optimization models. The NSDSS design was based upon community input garnered during a series of stakeholder workshops, and the end product software is freely available to all stakeholders via the project website. The tool now resides on servers hosted by the UAF Water and Environmental Research Center, and will remain accessible and free-of-charge for all interested stakeholders. The development of the tool fostered new advances in the area of data evaluation and decision support technologies, and the finished product is envisioned to enhance water resource planning activities on Alaska’s North Slope.

02 PETROLEUM↗

Research and Development Toward Massive Liquid Argon Time Projection Chambers for Neutrino Detection

Liquid argon (LAr) time projection chambers (TPC) have rapidly increased in importance as particle detectors throughout the past four decades. While much research has been completed, there are still many areas which require further development to build and operate the next generation LAr TPC experiment, such as the Deep Underground Neutrino Experiment (DUNE). These include high voltage breakdown, argon purification and purity monitoring, and vacuum ultraviolet (VUV) scintillation light measurement. Visual monitoring of high voltage breakdown is helpful in allowing assessment of the performance of high voltage component design. Thus, a system of cryogenic cameras, the first of its kind, was developed for use in a large LAr cryostat, without the need for additional electronics heating. The system functioned without problem for 50 days at cryogenic temperature, with some degradation of image quality, and provided a useful monitor for the DUNE 35-ton cryogenics systems. The system did not observe any high voltage breakdowns during the run. Further development of the concept is ongoing for future installation in other experiments. The monitoring of LAr purity using TPC data is a fundamental study for LAr TPC experiments. However, the study has not been performed for a large LAr TPC in the presence of high electronic noise. Custom software was developed and validated for the accurate reconstruction of signals in noisy TPC data. The results of the reconstruction were used to successfully measure the LAr electron lifetime with an uncertainty comparable to alternate methods of measurement. The electron lifetime of the 35-ton Phase II run is determined to be 4.12 ± 0.17 (stat.) ±0.40 (syst.) ms. For general purpose research and development of high purity LAr as a particle detection medium, a dedicated test stand was designed, constructed, and commissioned. The system is used to test the gaseous photomultiplier (GPM) performance at cryogenic temperatures. The GPM functions with photoelectron multiplication at 77 K, at a reduced gain. Further study is required to show the detector’s direct sensitivity to LAr VUV scintillation light.

Thiesse, Matthew↗

The development of experimental techniques for the study of helicopter rotor noise

The acoustic characteristics of a low noise open jet wind tunnel have been obtained by employing two different calibration techniques. One technique is to measure the decay of sound pressure with distance in far field. The other technique is to utilize a calibrated speaker as a sound source. The sound pressure level vs frequency was obtained in the wind tunnel testing chamber and compared with the corresponding calibrated values. The results of two different techniques agree with each other. Fiberglass board-block units were installed on the testing chamber interior. The free field was increased significantly after this treatment and the testing chamber cut-off frequency was reduced to 160 Hz from the original designed 250 Hz. The flow field characteristics of the rotor-tunnel configuration were studied by using flow visualization techniques.

Harris, W. L.↗

Irradiance from stars based on blackbody theory

A computer program which calculates a theoretical backbody curve for a star when given only the star's temperature and visual magnitude is presented. The program was written to produce approximate stellar spectra to be used in the design of the Space Telescope Fine Guidance System (FGS). In addition to the blackbody curve, the program calculates the number of photons tht would be received by the Space Telescope per 25 MSEC interval in wavelength increments of 0.2 microns. The equations used for the computations work best for stars that emit primarily in the range of near infrared to ultraviolet.

Jacobs, W. A.↗