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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 181 records · Page 10

Community Coordinated Modeling Center Support of Science Needs for Integrated Data Environment

Space science models are essential component of integrated data environment. Space science models are indispensable tools to facilitate effective use of wide variety of distributed scientific sources and to place multi-point local measurements into global context. The Community Coordinated Modeling Center (CCMC) hosts a set of state-of-the- art space science models ranging from the solar atmosphere to the Earth's upper atmosphere. The majority of models residing at CCMC are comprehensive computationally intensive physics-based models. To allow the models to be driven by data relevant to particular events, the CCMC developed an online data file generation tool that automatically downloads data from data providers and transforms them to required format. CCMC provides a tailored web-based visualization interface for the model output, as well as the capability to download simulations output in portable standard format with comprehensive metadata and user-friendly model output analysis library of routines that can be called from any C supporting language. CCMC is developing data interpolation tools that enable to present model output in the same format as observations. CCMC invite community comments and suggestions to better address science needs for the integrated data environment.

Kuznetsova, M. M.↗

The persistent shadow of the supermassive black hole of M87. II. Model comparisons and theoretical interpretations

The Event Horizon Telescope (EHT) observation of M87∗ in 2018 has revealed a ring with a diameter that is consistent with the 2017 observation. The brightest part of the ring is shifted to the southwest from the southeast. In this paper, we provide theoretical interpretations for the multi-epoch EHT observations for M87∗ by comparing a new general relativistic magnetohydrodynamics model image library with the EHT observations for M87∗ in both 2017 and 2018. The model images include aligned and tilted accretion with parameterized thermal and nonthermal synchrotron emission properties. The 2018 observation again shows that the spin vector of the M87∗ supermassive black hole is pointed away from Earth. A shift of the brightest part of the ring during the multi-epoch observations can naturally be explained by the turbulent nature of black hole accretion, which is supported by the fact that the more turbulent retrograde models can explain the multi-epoch observations better than the prograde models. The EHT data are inconsistent with the tilted models in our model image library. Assuming that the black hole spin axis and its large-scale jet direction are roughly aligned, we expect the brightest part of the ring to be most commonly observed 90 deg clockwise from the forward jet. This prediction can be statistically tested through future observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Considerations for Optimizing the Photometric Classification of Supernovae from the Rubin Observatory

The Vera C. Rubin Observatory will increase the number of observed supernovae (SNe) by an order of magnitude; however, it is impossible to spectroscopically confirm the class for all SNe discovered. Thus, photometric classification is crucial, but its accuracy depends on the not-yet-finalized observing strategy of Rubin Observatory's Legacy Survey of Space and Time (LSST). We quantitatively analyze the impact of the LSST observing strategy on SNe classification using simulated multiband light curves from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC). First, we augment the simulated training set to be representative of the photometric redshift distribution per SNe class, the cadence of observations, and the flux uncertainty distribution of the test set. Then we build a classifier using the photometric transient classification library snmachine, based on wavelet features obtained from Gaussian process fits, yielding a similar performance to the winning PLAsTiCC entry. We study the classification performance for SNe with different properties within a single simulated observing strategy. We find that season length is important, with light curves of 150 days yielding the highest performance. Cadence also has an important impact on SNe classification; events with median inter-night gap <3.5 days yield higher classification performance. Interestingly, we find that large gaps (>10 days) in light-curve observations do not impact performance if sufficient observations are available on either side, due to the effectiveness of the Gaussian process interpolation. This analysis is the first exploration of the impact of observing strategy on photometric SN classification with LSST.

79 ASTRONOMY AND ASTROPHYSICS↗

Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain

Rhodopsin is a prototypical G protein-coupled receptor (GPCR) critical for vertebrate vision. Research on GPCR signaling states has been facilitated using llama-derived nanobodies (Nbs), some of which bind to the intracellular surface to allosterically modulate the receptor. Extracellularly binding allosteric nanobodies have also been investigated, but the structural basis for their activity has not been resolved to date. Here, we report a library of Nbs that bind to the extracellular surface of rhodopsin and allosterically modulate the thermodynamics of its activation process. Crystal structures of Nb2 in complex with native rhodopsin reveal a mechanism of allosteric modulation involving extracellular loop 2 and native glycans. Nb2 binding suppresses Schiff base deprotonation and hydrolysis and prevents intracellular outward movement of helices five and six – a universal activation event for GPCRs. Nb2 also mitigates protein misfolding in a disease-associated mutant rhodopsin. Our data show the power of nanobodies to modulate the photoactivation of rhodopsin and potentially serve as therapeutic agents for disease-associated rhodopsin misfolding.

59 BASIC BIOLOGICAL SCIENCES↗

A Modular Framework for Integrating and Visualizing Telemetry for Mars 2020 Rover Mechanism Operations

The analysis of mechanism telemetry requires a wide variety of tools to quickly and effectively assess spacecraft state, capture long-term trends in system performance, and identify and track anomalous events. Such analysis often requires spacecraft telemetry to first be transformed into derived fields and aggregated statistics before operators can begin their analysis. In past missions, aspects of this process have been automated, but operators were expected to use their own tools and procedures to understand and visualize the data, which led to redundant and inconsistent tools and processes. The Mech Data Tools Python library (MDT) was developed to provide a flexible, unified tool set for operators to extract and analyze mechanism telemetry over the life of the Mars 2020 surface mission. MDT consists of a set of configurable components that implement standard interfaces for ingesting input and producing output. Components can be chained together to form a data processing pipeline. Data are ingested from several sources within the greater Mars 2020 cloud infrastructure and stored in pandas DataFrames, which allows users to leverage the data manipulation capabilities present within the widely-used pandas library. Visualization capabilities are provided through the Plotly library, which generates interactive plots for users to interpret. Following the beginning of Mars 2020 surface operations, usage of MDT has spread to all mechanism-focused subsystems and has demonstrated great utility in analyzing early surface activities. This paper describes MDT’s evolution from heritage mechanism telemetry tools, the critical architecture decisions and challenges faced over MDT’s two years of development, and current applications of MDT in support of mechanism operations.

Wolsieffer, Ben↗

Feasibility study for a generalized gate logic software simulator

Unit-delay simulation, event driven simulation, zero-delay simulation, simulation techniques, 2-valued versus multivalued logic, network initialization, gate operations and alternate network representations, parallel versus serial mode simulation fault modelling, extension of multiprocessor systems, and simulation timing are discussed. Functional level networks, gate equivalent circuits, the prototype BDX-930 network model, fault models, identifying detected faults for BGLOSS are discussed. Preprocessor tasks, postprocessor tasks, executive tasks, and a library of bliss coded macros for GGLOSS are also discussed.

Mcgough, J. G.↗

A pollen-specific novel calmodulin-binding protein with tetratricopeptide repeats

Calcium is essential for pollen germination and pollen tube growth. A large body of information has established a link between elevation of cytosolic Ca(2+) at the pollen tube tip and its growth. Since the action of Ca(2+) is primarily mediated by Ca(2+)-binding proteins such as calmodulin (CaM), identification of CaM-binding proteins in pollen should provide insights into the mechanisms by which Ca(2+) regulates pollen germination and tube growth. In this study, a CaM-binding protein from maize pollen (maize pollen calmodulin-binding protein, MPCBP) was isolated in a protein-protein interaction-based screening using (35)S-labeled CaM as a probe. MPCBP has a molecular mass of about 72 kDa and contains three tetratricopeptide repeats (TPR) suggesting that it is a member of the TPR family of proteins. MPCBP protein shares a high sequence identity with two hypothetical TPR-containing proteins from Arabidopsis. Using gel overlay assays and CaM-Sepharose binding, we show that the bacterially expressed MPCBP binds to bovine CaM and three CaM isoforms from Arabidopsis in a Ca(2+)-dependent manner. To map the CaM-binding domain several truncated versions of the MPCBP were expressed in bacteria and tested for their ability to bind CaM. Based on these studies, the CaM-binding domain was mapped to an 18-amino acid stretch between the first and second TPR regions. Gel and fluorescence shift assays performed with CaM and a CaM-binding synthetic peptide further confirmed MPCBP binding to CaM. Western, Northern, and reverse transcriptase-polymerase chain reaction analysis have shown that MPCBP expression is specific to pollen. MPCBP was detected in both soluble and microsomal proteins. Immunoblots showed the presence of MPCBP in mature and germinating pollen. Pollen-specific expression of MPCBP, its CaM-binding properties, and the presence of TPR motifs suggest a role for this protein in Ca(2+)-regulated events during pollen germination and growth.

NASA Discipline Plant Biology↗

SOMA: Observability, monitoring, and in situ analytics for exascale applications

With the rise of exascale systems and large, data-centric workflows, the need to observe and analyze high performance computing (HPC) applications during their execution is becoming increasingly important. HPC applications are typically not designed with online monitoring in mind, therefore, the observability challenge lies in being able to access and analyze interesting events with low overhead while seamlessly integrating such capabilities into existing and new applications. We explore how our service-based observation, monitoring, and analytics (SOMA) approach to collecting and aggregating both application-specific diagnostic data and performance data addresses these needs. Furthermore, we present our SOMA framework and demonstrate its viability with LULESH, a hydrodynamics proxy application. Then we focus on Astaroth, a multi-GPU library for stencil computations, highlighting the integration of the TAU and APEX performance tools and SOMA for application and performance data monitoring.

97 MATHEMATICS AND COMPUTING↗

Multiscale Airborne Infectious Disease Transmission

Airborne disease transmission is central to many scientific disciplines, including agriculture, veterinary biosafety, medicine, and public health. Legal and regulatory standards are in place to prevent agricultural, nosocomial, and community airborne disease transmission. However, the overall importance of the airborne pathway is underappreciated; e.g., the U.S. National Library of Medicine’s Medical Subjects Headings (MESH) thesaurus lacks an airborne disease transmission indexing term. This has practical consequences, as airborne precautions to control epidemic disease spread may not be taken when airborne transmission is important but unrecognized. Publishing clearer practical methodological guidelines for surveillance studies and disease outbreak evaluations could help address this situation. To inform future work, this paper highlights selected, well-established airborne transmission events, largely cases replicated in multiple, independently conducted scientific studies. Methodologies include field experiments, modeling, epidemiology studies, disease outbreak investigations, and mitigation studies. Collectively, this literature demonstrates that airborne viruses, bacteria, and fungal pathogens have the ability to cause disease in plants, animals, and humans over multiple distances, from near range (<5 m) to continental (>500 km) in scale. The plausibility and implications of undetected airborne disease transmission are discussed, including the notable underreporting of disease burdens for several airborne-transmitted diseases.

59 BASIC BIOLOGICAL SCIENCES↗

NASA Science4Girls and Their Families: Connecting Local Libraries with NASA Scientists and Education Programs to Engage Girls in STEM

NASA Science4Girls and Their Families (NS4G) partners NASA Science Mission Directorate (SMD) education programs with public libraries to provide hands-on science, technology, engineering, and math (STEM) activities and career information for girls and their families, along with training for librarians, in conjunction with Women's History Month (March). NS4G is a collaboration among education teams within the four NASA SMD education and public outreach (E/PO) Forums: Planetary, Earth, Astrophysics, and Heliophysics. It began in 2012 as an Astrophysics-led program (Astro4Girls) with 9 events around the country. Upon expanding among the four Forums, over 73 events were held in Spring 2013 (Fig. 1), with preparations underway for events in Spring 2014. All events are individually evaluated by both the student participants and participating librarians to assess their effectiveness in addressing audience needs.

SCIENCE4GIRLS↗

CONFIG: Qualitative simulation tool for analyzing behavior of engineering devices

To design failure management expert systems, engineers mentally analyze the effects of failures and procedures as they propagate through device configurations. CONFIG is a generic device modeling tool for use in discrete event simulation, to support such analyses. CONFIG permits graphical modeling of device configurations and qualitative specification of local operating modes of device components. Computation requirements are reduced by focussing the level of component description on operating modes and failure modes, and specifying qualitative ranges of variables relative to mode transition boundaries. Simulation processing occurs only when modes change or variables cross qualitative boundaries. Device models are built graphically, using components from libraries. Components are connected at ports by graphical relations that define data flow. The core of a component model is its state transition diagram, which specifies modes of operation and transitions among them.

Malin, Jane T.↗

CONFIG - Adapting qualitative modeling and discrete event simulation for design of fault management systems

CONFIG is a modeling and simulation tool prototype for analyzing the normal and faulty qualitative behaviors of engineered systems. Qualitative modeling and discrete-event simulation have been adapted and integrated, to support early development, during system design, of software and procedures for management of failures, especially in diagnostic expert systems. Qualitative component models are defined in terms of normal and faulty modes and processes, which are defined by invocation statements and effect statements with time delays. System models are constructed graphically by using instances of components and relations from object-oriented hierarchical model libraries. Extension and reuse of CONFIG models and analysis capabilities in hybrid rule- and model-based expert fault-management support systems are discussed.

Malin, Jane T.↗

PROTEUS: Machine Learning Driven Resilience for Extreme-scale Systems

The objective of this project is to design, develop, and evaluate scalable software to enhance resilience, data checkpointing, program restart, and analysis. The proposed tasks are to 1) develop scalable machine learning techniques to learn temporal change patterns in a scalable and in-situ manner, and to minimize data movement and maximize learning locally closest to data; 2) design a concise data representation and indexing mechanism to capture the distribution of changes in data that can guarantee point-wise user-defined tolerable errors while reducing the data storage requirements by an order of magnitude or more; 3) develop data reduction techniques as library modules; 4) exploit local SSD for minimizing data movement in storage hierarchy; 5) develop anomaly detection algorithms that can predict corruptions based on learning of emerging patterns; 6) develop software libraries to be incorporated within widely used data formats and APIs; and 7) evaluate the proposed software using DOE scientific applications. The outcomes of the proposed work are to satisfy many synergistic data reduction and resilience requirements for large-scale data intensive applications executed on extreme-scale computing systems. The developed mechanism for error-bound data approximation is directly applicable to existing scientific applications. Through machine learning from historical events and change distribution, this work will enable anomaly detection for DOE computer facility.

97 MATHEMATICS AND COMPUTING↗

Lowering Barriers to Science and Space Weather Research at the Community Coordinated Modeling Center (CCMC)

The Space Weather and Heliophysics research and modeling community has been pushing the limits of our ability to understand and predict space weather events. The Community Coordinated Modeling Center (CCMC, https://ccmc.gsfc.nasa.gov) supports the community by providing a convenient collaborative platform hosting space weather models, model simulation data, curated datasets of solar events, and associated value-added services. Using these services, researchers and other end-users may exercise, evaluate, and intercompare contributed models, triage designated R2O models, as well as collaborate on a continuously updated archive of model run results. We will focus on CCMC’s ongoing commitment to the principles and guidelines of the Open Science initiative. Particularly, we will discuss our work towards making our services more transparent and our library of model simulations more accessible, open, and reproducible. We will introduce our recent tools for data discovery and correlative analysis designed to further increase the value of the user-generated data and metadata. We will also present our recent work on making heliophysical models more accessible and open to the community, particularly through simplified user experience and expert domain support. We will report on our progress in establishing an inter-center infrastructure with the ESA Virtual Space Weather Modelling Centre (VSWMC), designed to cross organizational boundaries and provide streamlined access to a joint palette of the models.

space weather↗

Development of a River Dynamical Core for E3SM to simulate compound flooding on Exascale-class heterogeneous supercomputers

Flooding events pose significant risk to human life, property, and infrastructure. Physically-consistent quantification of altered flood risks in global models requires hyper-resolution (~1 km) or fine flood simulations using two-dimensional (2D) physics schemes, both of which are unavailable in the current generation Earth System Models. Here, in this work, we have developed the River Dynamical Core (RDycore), which is an open-source, 2D shallow water equation (SWE) library for the U.S. Department of Energy's Energy Exascale Earth System Model (E3SM). RDycore uses PETSc and libCEED libraries that allows it to run efficiently on CPUs and GPUs, as well as select a time-integration algorithm at runtime without requiring any code modifications. RDycore achieves spatial error convergence rates for problems with analytical and manufactured solutions similar to those reported previously in the literature, or consistent with the implemented first-order spatial discretization scheme. RDycore's accuracy in predicting flooding for a well-studied dam break problem is comparable to existing SWE models. For a problem with 471 million grid cells, RDycore achieves a speedup of 6.6x and 7.6x on GPUs compared to CPUs when using 320 compute nodes on DOE's Perlmutter and Frontier supercomputers, respectively. The one-way coupling of the RDycore library within E3SM is demonstrated by performing multiple 5-day flooding simulations during Hurricane Harvey driven by five precipitation datasets. The E3SM--RDycore simulations at 30 m spatial resolution accurately simulate maximum water height during the hurricane when benchmarked against a previously published study and achieve a speedup of 15x (Perlmutter) and 21x (Frontier) on GPUs relative to CPUs. The work presented here is the foundational step in providing hardware and algorithmic portability framework for simulating kilometer-scale river dynamics within E3SM.

Flood Simulation↗

Accelerating the Inference of the Exa.TrkX Pipeline

Recently, graph neural networks (GNNs) have been successfully used for a variety of particle reconstruction problems in high energy physics, including particle tracking. The Exa.TrkX pipeline based on GNNs demonstrated promising performance in reconstructing particle tracks in dense environments. It includes five discrete steps: data encoding, graph building, edge filtering, GNN, and track labeling. All steps were written in Python and run on both GPUs and CPUs. In this work, we accelerate the Python implementation of the pipeline through customized and commercial GPU-enabled software libraries, and develop a C++ implementation for inferencing the pipeline. The implementation features an improved, CUDA-enabled fixed-radius nearest neighbor search for graph building and a weakly connected component graph algorithm for track labeling. GNNs and other trained deep learning models are converted to ONNX and inferenced via the ONNX Runtime C++ API. The complete C++ implementation of the pipeline allows integration with existing tracking software. We report the memory usage and average event latency tracking performance of our implementation applied to the TrackML benchmark dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Sparks in the dark

This study presents a novel method for the definition of signal regions in searches for new physics at collider experiments. By leveraging multi-dimensional histograms with precise arithmetic and utilizing the SparkDensityTree library, it is possible to identify high-density regions within the available phase space, potentially improving sensitivity to very small signals. Inspired by a search for dark mesons at the ATLAS experiment, CMS open data is used for this proof-of-concept intentionally targeting an already excluded signal. Signal regions are defined based on density estimates of signal and background. These preliminary regions align well with the physical properties of the signal while effectively rejecting background events.

Gudnadottir, Olga Sunneborn [Uppsala Univ. (Sweden↗

Three Dimensional Computer Graphics Federates for the 2012 Smackdown Simulation

The Simulation Interoperability Standards Organization (SISO) Smackdown is a two-year old annual event held at the 2012 Spring Simulation Interoperability Workshop (SIW). A primary objective of the Smackdown event is to provide college students with hands-on experience in developing distributed simulations using High Level Architecture (HLA). Participating for the second time, the University of Alabama in Huntsville (UAHuntsville) deployed four federates, two federates simulated a communications server and a lunar communications satellite with a radio. The other two federates generated 3D computer graphics displays for the communication satellite constellation and for the surface based lunar resupply mission. Using the Light-Weight Java Graphics Library, the satellite display federate presented a lunar-texture mapped sphere of the moon and four Telemetry Data Relay Satellites (TDRS), which received object attributes from the lunar communications satellite federate to drive their motion. The surface mission display federate was an enhanced version of the federate developed by ForwardSim, Inc. for the 2011 Smackdown simulation. Enhancements included a dead-reckoning algorithm and a visual indication of which communication satellite was in line of sight of Hadley Rille. This paper concentrates on these two federates by describing the functions, algorithms, HLA object attributes received from other federates, development experiences and recommendations for future, participating Smackdown teams.

Fordyce, Crystal↗