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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 217 records · Page 12

Celestial Mapping System for Lunar Surface Mapping and Analytics

Celestial Mapping System (CMS) is a software platform to generate virtual 3D globe for celestial bodies within our solar system. Various layers are built on top of the virtual globe to provide visualization of high resolution imagery, enable precise measurements, build analytical capabilities and broad range of functionalities to assist planetary scientists and mission planners. CMS is built using OpenJDK 11 and will run on a wide variety of platforms such as Linux, Windows, OSX, etc. It has a thick client with less overhead to access hardware resources. This allows features such as terrain profiling and distance calculations to be performed on the client and on the fly. The present focus of CMS is on developing lunar mapping tool kits to provide features such as - 3D first person view with zoom and navigational capabilities, realistic terrain visualization based on LRO data, measurement tools, Apollo landing site annotations, stereoscopic view, elevation profiles, line of sight analysis and many more. The application is developed to provide situational and domain awareness on Lunar surface, planning capabilities for equipment placements and traverse path optimization. As data becomes available, CMS has the capabilities to integrate data sets that change dynamically in real-time, which will be useful for monitoring satellites and remotely-sensed data on Lunar surface. CMS utilizes NASA WorldWind Java library and OpenGL to achieve high-performance rendering of data and measurements, and also adheres to OGC standards. CMS supports importing synthetic features in a variety of 3D, 2D, vector and raster formats. Nomenclature is pulled from USGS Moon IAU2000 database, and lunar parameters are based of the standardized IAU2000 Moon ellipsoid. GDAL (Geospatial Data Abstraction Library) was used to modify and test the accuracy of datasets before integrating into the application. Our high-resolution global elevation model was compared with the LRO LOLA DEM elevation values and tested to ensure accuracy. Celestial Mapping System has several potential use cases for NASA including subsurface lava tubes visualization and analysis, soil analysis, resource visualization and representation on 3D globe.

GIS system↗

Documentation and Instructions for Running Two Python Scripts that Aid in Setting up 3D Measurements using the Polytec 3D Scanning Laser Doppler Vibrometer

Sandia National Laboratories has recently purchased a Polytec 3D Scanning Laser Doppler Vibrometer for vibration measurement. This device has proven to be a very nice tool for making vibration measurements, and has a number of advantages over traditional sensors such as accelerometers. The non-contact nature of the laser vibrometer means there is no mass loading due to measuring the response. Additionally, the laser scanning heads can position the laser spot much more quickly and accurately than placing an accelerometer or performing a roving hammer impact. The disadvantage of the system is that a significant amount of time must be invested to align the lasers with each other and the part so that the laser spots can be accurately positioned. The Polytec software includes a number of nice tools to aid in this procedure; however, certain portions are still tedious. Luckily, the Polytec software is readily extensible by programming macros for the system, so tedious portions of the procedure can be made easier by automating the process. The Polytec Software includes a WinWrap (similar to Visual Basic) editor and interface to run macros written in that programming language. The author, however, is much more proficient in Python, and the latter also has a much larger set of libraries that can be used to create very complex macros, while taking advantage of Python’s inherent readability and maintainability.

47 OTHER INSTRUMENTATION↗

Grid Visualization Tool

The Grid Visualization Tool (GVT) is a computer program for displaying the path of a mobile robotic explorer (rover) on a terrain map. The GVT reads a map-data file in either portable graymap (PGM) or portable pixmap (PPM) format, representing a gray-scale or color map image, respectively. The GVT also accepts input from path-planning and activity-planning software. From these inputs, the GVT generates a map overlaid with one or more rover path(s), waypoints, locations of targets to be explored, and/or target-status information (indicating success or failure in exploring each target). The display can also indicate different types of paths or path segments, such as the path actually traveled versus a planned path or the path traveled to the present position versus planned future movement along a path. The program provides for updating of the display in real time to facilitate visualization of progress. The size of the display and the map scale can be changed as desired by the user. The GVT was written in the C++ language using the Open Graphics Library (OpenGL) software. It has been compiled for both Sun Solaris and Linux operating systems.

Chouinard, Caroline↗

Simulating 0+1 Dimensional Quantum Gravity on Quantum Computers: Mini-Superspace Quantum Cosmology and the World Line Approach in Quantum Field Theory

Quantum computers are promising candidates to radically expand the domain of computational science by their increased computing power and more effective algorithms. In particular, quantum computing could have a tremendous impact on the field of quantum cosmology. The goal of quantum cosmology is to describe the evolution of the universe through the Wheeler-DeWitt equation or path integral methods without having to first formulate a full theory of quantum gravity. The quantum computer provides an advantage in this endeavor because it can perform path integrals directly in Lorentzian space and does not require constructing contour integrations in Euclidean gravity. Also, quantum computers can provide advantages in systems with fermions which are difficult to simulate on classical computers. In this study, we first employed classical computational methods to analyze a Friedmann-Robertson-Walker mini-superspace with a scalar field and visualize the calculated wavefunction of the universe for a variety of different values of the curvature of the universe and the cosmological constant. We then used IBM’s Quantum Information Science Kit Python library and the variational quantum eigensolver algorithm to study the same systems on a quantum computer. The framework was extended to the world line approach to quantum field theory.

97 MATHEMATICS AND COMPUTING↗

Digitalization of an experimental electrochemical reactor via the smart manufacturing innovation platform

The exponential increase in data produced over the last two decades has revolutionized the way we collect, store, process, analyze, model, and interpret information to improve profitability. Manufacturing is no exception. How- ever, Smart Manufacturing, the digital practice, organization, workforce, and infrastructure transformation for collection and deployment of data and models at scale and at all levels of manufacturing, is a complex, costly, and labor-intensive journey that is still seeing slow adoption. The Clean Energy Smart Manufacturing Innovation Institute (CESMII), a national Manufacturing USA public-private partnership sponsored by the Department of Energy, is addressing this scaled use of data and modeling in manufacturing. CESMII has focused on how to col- lect and use operating data for numerous applications that improve productivity, precision, and performance of manufacturing operations from factory floor to supply chain using process simulation, predictive analytics, mon- itoring and control, and real-time optimization. Because contextualized data are key, CESMII has developed the Smart Manufacturing Innovation Platform (SMIP) to lower the barriers to the data that are needed to accelerate data-based model building, improve data visualization, and more quickly gain insights. Reusable, standards-based ways of doing data collection, ingestion, and contextualization are particularly important for scaling access and use of data. The SMIP uses a standards-based definition and construct for reusable information models called an SM Profile. When an SM Profile is used in conjunction with the SMIP, the SMIP ensures the availability of contextualized, operational data for model building. The present work demonstrates Smart Manufacturing and the application of the SMIP for building several data-centered models for the operation and control of an ex- perimental electrochemical reactor that reduces carbon dioxide (CO 2 ) gas to valuable liquid and gas chemicals, such as alcohols, olefins, and syngas. We describe how the SMIP plays a central role in more effective model building and we demonstrate how the electochemical reactor can be controlled and optimized for the desired products. Use of the SMIP involves the transmission of real-time sensor measurements to a cloud resource so that the operating data are available to all model building experts. The data collection and transmission process is fully automated to greatly reduce the need for manual manipulation of the data. Data-driven machine learning models are used for advanced real-time state estimation, real-time optimization, and model-based feedback control for the reactor. The application models are implemented as a system to monitor the data flow and control the electrochemical reactor with a single visualization interface. SM Profiles are used to demonstrate reusability of the information models for the reactor and the instrumentation. The application packages, algorithms, and user interfaces developed are cast as Docker images in a library to facilitate reusability of the application models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SU-F-R-18: Updates to the Computational Environment for Radiological Research for Image Analysis

Purpose: To present new tools in CERR for Texture Analysis and Visualization. Method: (1) Quantitative Image Analysis: We added the ability to compute Haralick texture features based on local neighbourhood. The Texture features depend on many parameters used in their derivation. For example: (a) directionality, (b) quantization of image, (c) patch-size for the neighborhood, (d) handling of the edge voxels within the region of interest, (e) Averaging co-occurance matrix vs texture features for different directions etc. A graphical user interface was built to set these parameters and then visualize their impact on the resulting texture maps. The entire functionality was written in Matlab. Array indexing was used to speed up the texture calculation. The computation speed is very competitive with the ITK library. Moreover, our implementation works with multiple CPUs and the computation time can be further reduced by using multiple processor threads. In order to reduce the Haralick texture maps into scalar features, we propose the use of Texture Volume Histograms. This lets users make use of the entire distribution of texture values within the region of interest rather than using just the mean and the standard deviations. (2) Qualitative/Visualization tools: The derived texture maps are stored as a new scan (derived) within CERR’s planC data structure. A display that compares various scans was built to show the raw image and the derived texture maps side-by-side. These images are positionally linked and can be navigated together. CERR’s graphics handling was updated and sped-up to be compatible with the newer Matlab versions. As a result, the users can use (a) different window levels and colormaps for different viewports, (b) click-and-drag or use mouse scroll-wheel to navigate slices. Results: The new features and updates are available via https://www.github.com/adityaapte/cerr . Conclusion: Features added to CERR increase its utility in Radiomics and Outcomes modeling.

60 APPLIED LIFE SCIENCES↗

ML for microbiomes

The software provides machine learning analysis and visualization to detect patterns in microbiome data, including topic modeling, probabilistic graphical modeling, conventional machine learning methods, and deep learning. The software is written in python and R, it uses some python and R libraries as well as big open-source libraries like sklearn, networkX, pytorch (python), pgmpy (python), and bnlearn (R). It also has a script to use for MALLET and DTM (open-source packages for topic modeling, written in Java).

Kim, Anastasiia↗

Monte Carlo Simulation with CAD Interface for Calculation of 3D Maps of Residual Dose (CRADA)

Objective: To develop an easy-to-use software application to predict and mitigate radiation effects in research environment, space instruments, nuclear plants and medical facilities and help nonproliferation and national security efforts. Tech-X will develop standalone software libraries and command-line tools for ( 1) translating CAD into tessellated surfaces and tetrahedral meshes in GDML (for Geant4 and MARS 15), ROOT (for MARS 15) and HDF5 (for compact representation and for the visualization) formats, (2) healing CAD geometries to make them suitable for Monte Carlo simulations; (3) creating uniform and variable Cartesian and cylindrical meshes for detailed scoring; and ( 4) efficient Monte Carlo navigation in CAD geometries. JLAB will finish automation of simulations of residual dose in CAD geometries and integrate Tech-X software into Geant4 and MARS15. Finally, Tech-X will develop a Graphical User Interface to set up and heal CAD geometries, create input files, run and visualize simulations for residual dose. This application will run on local desktops, local and remote clusters and supercomputers and will be made available through public clouds, such as Amazon Web Services.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging

Abstract Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re 1- x S 2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.

25 ENERGY STORAGE↗

Emerging Frameworks for Advancing Scientific Workflows Research, Development, and Education

Lightning talks of the Workflows in Support of Large-Scale Science (WORKS) workshop are a venue where the workflow community (researchers, developers, and users) can discuss work in progress, emerging technologies and frameworks, and training and education materials. This paper summarizes the WORKS 2021 lightning talks, which cover four broad topics: (i) libEnsemble, a Python library to coordinate the concurrent evaluation of dynamic ensembles of calculations; (ii) Edu WRENCH, a set of online pedagogic modules that provides simulation-driven hands-on activity in the browser; (iii) VisDict, an envisioned visual dictionary framework that will translate terms, jargon, and concepts between research domains and workflow providers; and (iv) Pegasus Kickstart, a lightweight tool for capturing workflow tasks' performance, including performance metrics from Nvidia GPUs.

Casanova, Henri↗

Integrated, Interoperable Software Environment for Fusion Simulation and Data Analysis Tools SBIR Phase II

This SBIR effort was focused on developing a production ready system to address the integration and interoperability challenges with analysis and visualization in fusion simulations. Our overarching technical objective was to minimize the code development simulation scientists incur when coupling their simulation codes with different analysis frameworks. To this end, we developed an open-source software library to make data exchange between application easier and a Web application to manage and display analysis extracts from simulations. We have also augmented existing libraries funded by DOE such as ADIOS and VTK-m. When used together, these make it significantly easier to integrate simulation and analysis capability. We demonstrated the flexibility of our approach using two common simulation codes in the fusion community, XGC1 and GTC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Towards Cooperative Control of Humanoid Robots for Handling High-Consequence Materials in Gloveboxes - 17291

In this paper, we describe our ongoing work with NASA's Valkyrie humanoid robot and present preliminary results on cooperative control of Valkyrie's hands for performing dexterous manipulation tasks inside gloveboxes commonly found in many nuclear facilities. First, we discuss our human-supervised robot control framework which is based on optimization-based whole-body motion and manipulation controllers. A key aspect of this approach is perception based grasping. We develop a grasping control module for realizing the grasps corresponding to sample tasks such as power, ball, key, pinch, and open palm grasps and their variations. Next, we introduce the notion of motion template library in order to develop generalizable robot grasping and manipulation. Motion template library stores the constraint setting information for the constrained motion planning methods and a framework which can implement the motion template library on different types of robots for accomplishing similar tasks. Motion templates are defined only based on the task requirements. As a result, they can be easily ported to different robot platforms. Lastly, we discuss our multi-modal interfaces designs which include a visual display for improved situational awareness as well as a tactile glove for robot hand control and feedback. Our goal is for the person tele-operating the Valkyrie robot to have better sensing and control than what he or she would have if actually standing at the glovebox doing the work. This improved sensing is comprised of the ability to 'see through' the robot's arms and hands in the gloves and to have an improved sense of touch. The paper concludes with a discussion of our validation strategy. Our success metrics are derived from the completion of a relatively complex experiment to be performed in the glovebox. We evaluate various realistic experiments and use them for task validation and demonstration with Valkyrie. We use speed, time of completion, accuracy, repeatability and reliability rates as success metrics by designing replicable experiments. (authors)

42 ENGINEERING↗

Machine learning tools for epigenetics

The software provides machine learning analysis and visualization to detect patterns in epigenetic data, including conventional machine learning and statistical methods, and open-source packages like pyBigWig (https://github.com/deeptools/pyBigWig) for data processing. The software is written in python, it uses some python libraries.

Kim, Anastasiia↗

Dynamic Facade Dashboard v0.1.0

The dashboard is a useful tool for early-stage building design decision-making and communication, as it can help users quickly compare the energy and non-energy related performance of various automated, integrated facade systems using a library of pre-computed data. Users can explore the impacts of various design choices by selecting different facade glazing and shading systems, facade control strategies, and lighting control strategies across multiple climate zones. The dashboard instantly visualizes key metrics, including energy usage in HVAC and lighting, peak cooling and heating load, and daylight availability, allowing immediate trade-off analysis to optimize building efficiency and comfort.

Yu, Tammie [Lawrence Berkeley National Laboratory ↗

The PANTHER User Experience

This document describes the PANTHER R&D Application, a proof-of-concept user interface application developed under the PANTHER Grand Challenge LDRD. The purpose of the application is to explore interaction models for graph analytics, drive algorithmic improvements from an end-user point of view, and support demonstration of PANTHER technologies to potential customers. The R&D Application implements a graph-centric interaction model that exposes analysts to the algorithms contained within the GeoGraphy graph analytics library. Users define geospatial-temporal semantic graph queries by constructing search templates based on nodes, edges, and the constraints among them. Users then analyze the results of the queries using both geo-spatial and temporal visualizations. Development of this application has made user experience an explicit driver for project and algorithmic level decisions that will affect how analysts one day make use of PANTHER technologies.

97 MATHEMATICS AND COMPUTING↗

Advanced data visualization and sensor fusion: Conversion of techniques from medical imaging to Earth science

Hughes Aircraft Company and the University of Chicago propose to transfer existing medical imaging registration algorithms to the area of multi-sensor data fusion. The University of Chicago's algorithms have been successfully demonstrated to provide pixel by pixel comparison capability for medical sensors with different characteristics. The research will attempt to fuse GOES, AVHRR, and SSM/I sensor data which will benefit a wide range of researchers. The algorithms will utilize data visualization and algorithm development tools created by Hughes in its EOSDIS prototyping. This will maximize the work on the fusion algorithms since support software (e.g. input/output routines) will already exist. The research will produce a portable software library with documentation for use by other researchers.

Savage, Richard C.↗

Characterization of the biofilm landscape of Bacillus subtilis by spatial microproteomics

Bulk proteomics has been demonstrated to differentiate subpopulations within bacterial colonies, yet advanced analyses by mass spectrometry imaging (MSI) hold even greater promise for the future. This technology can enable high-throughput spatial phenotyping that can reshape biological discovery by providing visualization of components of various biomolecular mechanisms. With high mass resolving power and high spatial resolution analyses being routine, we can confidently enable intact protein imaging directly from samples with minimal preparation. Pairing those analyses with bulk experimental libraries can provide high confidence in annotations of post-translational modifications (PTMs) and truncations. Revealing PTM localization within the samples unlocks a direct window into unknown biology at the microscale. However, top-down proteomics (TDP) is not commonplace for microbial species, largely due to challenges in identifying detected peptides and proteins; considering the theoretical proteome of even the well-studied model bacterium Bacillus subtilis was only partially mapped recently. With little still known about the form and function of many of these proteins – let alone proteoforms, where PTMs and truncations of the same protein may possess unique physiological roles – there is a wealth of work to be done. Here we jointly apply TDP and MSI to describe the microscale spatial proteomic landscape within B. subtilis and further demonstrate the feasibility of detecting differentiated subpopulations through proteoforms across the biofilm landscape.

bacterial biofilms↗

LevSeq: Rapid Generation of Sequence-Function Data for Directed Evolution and Machine Learning

Sequence-function data provides valuable information about the protein functional landscape but is rarely obtained during directed evolution campaigns. Here, we present Long-read every variant Sequencing (LevSeq), a pipeline that combines a dual barcoding strategy with nanopore sequencing to rapidly generate sequence-function data for entire protein-coding genes. LevSeq integrates into existing protein engineering workflows and comes with open-source software for data analysis and visualization. The pipeline facilitates data-driven protein engineering by consolidating sequence-function data to inform directed evolution and provide the requisite data for machine learning-guided protein engineering (MLPE). LevSeq enables quality control of mutagenesis libraries prior to screening, which reduces time and resource costs. Simulation studies demonstrate LevSeq’s ability to accurately detect variants under various experimental conditions. Lastly, we show LevSeq’s utility in engineering protoglobins for new-to-nature chemistry. Widespread adoption of LevSeq and sharing of the data will enhance our understanding of protein sequence-function landscapes and empower data-driven directed evolution.

59 BASIC BIOLOGICAL SCIENCES↗