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At least 1,099 records · Page 61

Nexus: Planning Tomorrow, Today

To prepare for future human space flight programs, the Mission Operations Laboratory (MOL) at the Marshall Space Flight Center (MSFC) has been investigating new planning and scheduling paradigms. To support and prove this investigation, MOL technologists have developed a working prototype of a scheduling system to support the new paradigms. The new planning and scheduling system is called Nexus and has a web site at http://nexus.nasa.gov/. Nexus is based on a comprehensive modeling schema to capture all scheduling requirements typical to human space missions, an incremental scheduling engine tailored to the modeling schema, and remote access (including Personal Data Assistant (PDA) access) to the scheduling system. This paper describes the proposed paradigm shift and the enabling software. It also describes a typical Nexus demonstration which emphasizes how it works, how it enables the paradigm shift, and possible applications. Demonstrations include access to the full functionally of Nexus from a personal computer and access to limited functionally via a PDA. An appendix includes a description and screen shots of the demonstrations.

Jaap, John↗

Integrating Ideas for International Data Collaborations Through The Committee on Earth Observation Satellites (CEOS) International Directory Network (IDN)

The capabilities of the International Directory Network's (IDN) version MD9.5, along with a new version of the metadata authoring tool, "docBUILDER", will be presented during the Technology and Services Subgroup session of the Working Group on Information Systems and Services (WGISS). Feedback provided through the international community has proven instrumental in positively influencing the direction of the IDN s development. The international community was instrumental in encouraging support for using the IS0 international character set that is now available through the directory. Supporting metadata descriptions in additional languages encourages extended use of the IDN. Temporal and spatial attributes often prove pivotal in the search for data. Prior to the new software release, the IDN s geospatial and temporal searches suffered from browser incompatibilities and often resulted in unreliable performance for users attempting to initiate a spatial search using a map based on aging Java applet technology. The IDN now offers an integrated Google map and date search that replaces that technology. In addition, one of the most defining characteristics in the search for data relates to the temporal and spatial resolution of the data. The ability to refine the search for data sets meeting defined resolution requirements is now possible. Data set authors are encouraged to indicate the precise resolution values for their data sets and subsequently bin these into one of the pre-selected resolution ranges. New metadata authoring tools have been well received. In response to requests for a standalone metadata authoring tool, a new shareable software package called "docBUILDER solo" will soon be released to the public. This tool permits researchers to document their data during experiments and observational periods in the field. interoperability has been enhanced through the use of the Open Archives Initiative s (OAI) Protocol for Metadata Harvesting (PMH). Harvesting of XML content through OAI-MPH has been successfully tested with several organizations. The protocol appears to be a prime candidate for sharing metadata throughout the international community. Data services for visualizing and analyzing data have become valuable assets in facilitating the use of data. Data providers are offering many of their data-related services through the directory. The IDN plans to develop a service-based architecture to further promote the use of web services. During the IDN Task Team session, ideas for further enhancements will be discussed.

Olsen, Lola M.↗

Big-data Efficient and Automated Science Transfer (BEAST): An Open-Source Software Architecture for Arc Jet Data Management, Modeling, and Automation

Big-data Efficient and Automated Science Transfer (BEAST) was conceived to address the existing ground testing data management of the NASA Ames arc jet facilities (e.g., manually entered Excel files and USB drive data transfers). These data management practices were seen as a choke point for future thermal protection system (TPS) development as they limit statistical tracking, resolution of diagnostics, coordination between video/time series, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗

Big-data Efficient and Automated Science Transfer (BEAST): An Open-Source Software Architecture for Arc Jet Data Management, Modeling, and Automation

Big-data Efficient and Automated Science Transfer (BEAST) is a facility data management application developed for the NASA Ames arc jet facilities. The current decentralized data management practices limit statistical tracking, synchronization between video/time series, search capability, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗

Big-data Efficient Automated Science Transfer (BEAST): an open-source software architecture for arc jet data management, modeling, and automation

Big-data Efficient and Automated Science Transfer (BEAST) was conceived to address the existing ground testing data management of the NASA Ames arc jet facilities (e.g., manually entered Excel files and USB drive data transfers). These data management practices were seen as a choke point for future thermal protection system (TPS) development as they limit statistical tracking, resolution of diagnostics, coordination between video/time series, data throughput, and data processing speed/efficiency. Consequently, BEAST was developed to provide a new data infrastructure with streamlined data collection, processing, transfer, and analysis. This new framework also seeks to implement the FAIR principles of data stewardship: Findable, Accessible, Interoperable, and Reusable. The BEAST framework is based on a combination of the Python Django web framework and the Python data stack to provide a monolithic, open-source platform for data management, automation, and machine learning. This architecture was chosen for maintainability and scalability for a small, in-house development team. This paper will describe the application framework, deployment, and discuss the benefits and future plans for the system.

Data management↗

Light-responsive expression atlas reveals the effects of light quality and intensity in Kalanchoë fedtschenkoi, a plant with crassulacean acid metabolism

Abstract Background Crassulacean acid metabolism (CAM), a specialized mode of photosynthesis, enables plant adaptation to water-limited environments and improves photosynthetic efficiency via an inorganic carbon-concentrating mechanism. Kalanchoë fedtschenkoi is an obligate CAM model featuring a relatively small genome and easy stable transformation. However, the molecular responses to light quality and intensity in CAM plants remain understudied. Results Here we present a genome-wide expression atlas of K. fedtschenkoi plants grown under 12 h/12 h photoperiod with different light quality (blue, red, far-red, white light) and intensity (0, 150, 440, and 1,000 μmol m–2 s–1) based on RNA sequencing performed for mature leaf samples collected at dawn (2 h before the light period) and dusk (2 h before the dark period). An eFP web browser was created for easy access of the gene expression data. Based on the expression atlas, we constructed a light-responsive co-expression network to reveal the potential regulatory relationships in K. fedtschenkoi. Measurements of leaf titratable acidity, soluble sugar, and starch turnover provided metabolic indicators of the magnitude of CAM under the different light treatments and were used to provide biological context for the expression dataset. Furthermore, CAM-related subnetworks were highlighted to showcase genes relevant to CAM pathway, circadian clock, and stomatal movement. In comparison with white light, monochrome blue/red/far-red light treatments repressed the expression of several CAM-related genes at dusk, along with a major reduction in acid accumulation. Increasing light intensity from an intermediate level (440 μmol m-2 s-1) of white light to a high light treatment (1,000 μmol m–2 s–1) increased expression of several genes involved in dark CO2 fixation and malate transport at dawn, along with an increase in organic acid accumulation. Conclusions This study provides a useful genomics resource for investigating the molecular mechanism underlying the light regulation of physiology and metabolism in CAM plants. Our results support the hypothesis that both light intensity and light quality can modulate the CAM pathway through regulation of CAM-related genes in K. fedtschenkoi.

59 BASIC BIOLOGICAL SCIENCES↗

Foldy: An open-source web application for interactive protein structure analysis

Foldy is a cloud-based application that allows non-computational biologists to easily utilize advanced AI-based structural biology tools, including AlphaFold and DiffDock. With many deployment options, it can be employed by individuals, labs, universities, and companies in the cloud without requiring hardware resources, but it can also be configured to utilize locally available computers. Foldy enables scientists to predict the structure of proteins and complexes up to 6000 amino acids with AlphaFold, visualize Pfam annotations, and dock ligands with AutoDock Vina and DiffDock. In our manuscript, we detail Foldy’s interface design, deployment strategies, and optimization for various user scenarios. We demonstrate its application through case studies including rational enzyme design and analyzing proteins with domains of unknown function. Furthermore, we compare Foldy’s interface and management capabilities with other open and closed source tools in the field, illustrating its practicality in managing complex data and computation tasks. Our manuscript underlines the benefits of Foldy as a day-to-day tool for life science researchers, and shows how Foldy can make modern tools more accessible and efficient.

59 BASIC BIOLOGICAL SCIENCES↗

Status of the data acquisition, trigger, and slow control systems of the Mu2e experiment at Fermilab

The Mu2e experiment at the Fermilab will search for a coherent neutrinoless conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement by a factor of 10,000 over existing limits. In this work, the Mu2e Trigger and Data Acquisition System (TDAQ) uses otsdaq framework as the online Data Acquisition System (DAQ) solution. Developed at Fermilab, otsdaq integrates several framework components — an artdaq-based DAQ, an art-based event processing, and an EPICS-based detector control system (DCS), and provides a uniform multi-user interface to its components through a web browser. Data streams from the Mu2e tracker and calorimeter are handled by the artdaq-based DAQ and processed by a one-level software trigger implemented within the art framework. Events accepted by the trigger have their data combined, post-trigger, with the separately read out data from the Mu2e Cosmic Ray Veto system. Foundation of the Mu2e DCS, EPICS – an Experimental Physics and Industrial Control System – is an open-source platform for monitoring, controlling, alarming, and archiving. A prototype of the TDAQ and the DCS systems has been built and tested over the last three years at Fermilab’s Feynman Computing Center, and now the production system installation is underway. This work presents their status and focus on the installation plans and procedures for racks, workstations, network switches, gateway computers, DAQ hardware, slow controls implementation, and testing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Slow control and TDAQ systems installation and tests in the Mu2e experiment

The Mu2e experiment at Fermilab will attempt to detect a coherent neutrinoless conversion of a muon into an electron in the field of an aluminum nucleus, with a sensitivity that is 10,000 times greater than existing limits. The Mu2e trigger and data acquisition system (TDAQ) uses the otsdaqframework as its online Data Acquisition System (DAQ) solution. Developed at Fermilab, otsdaq integrates several components, such as an artdaq-based DAQ, an art-based event processing, and an EPICS-based detector control system (DCS), and provides a uniform multi-user interface toits components through a web browser. The data streams from the Mu2e tracker and calorimeter are handled by the artdaq-based DAQ and processed by a one-level software trigger implemented within the art framework. Events accepted by the trigger have their data combined, post-trigger, with the separately read-out data from the Mu2e Cosmic Ray Veto system. The foundation of Mu2e DCS, EPICS, an Experimental Physics and Industrial Control System, is an open-source platform for monitoring, controlling, alarming, and archiving. Over the last three years, a prototype ofthe TDAQ and DCS systems has been built and tested at Fermilab’s Feynman Computing Center.Currently, the production system installation is underway. At the end, this work presents a brief update on the installation of racks and DAQ hardware.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

COSS Lesson Creation Process

COSS (Crew On-Orbit System Support) is changing. Designed as computer based in-flight refresher training, it is getting good reviews and the demands on the product can be expected to increase. Last year, the lessons were written using Authorware, which had a number of limitations. The most important one was that the navigation and the layout functions were both in one package that was not easy to learn. The lesson creator had to be good at both programming and design. There were also a number of other problems, as detailed in my report last year. This year the COSS unit made the switch to embrace modularity. The navigation function is handled by a player that was custom-written using Delphi. The layout pages are now standard HTML files that can be created using any number of products. This new system gives new flexibility and unties the process from one product (and one company). The player can be re-written by a programmer without affecting the lesson pages. It is also now possible for anybody with a word-processor to make part of the HTML lesson pages and to use many of the new commercially available tools that are being designed for web pages. This summer I created a computer-based training (CBT) lesson on the IBM ThinkPad 760 ED and 760XD laptop computers that should fly on the International Space Station. I also examined the COSS system, the new player and the other new software products.

Harper, R. Stephen↗

Emitter formation in dendritic web silicon solar cells

The use of liquid dopants and liquid masks for p-n junction formation in dendritic web solar cells was investigated and found to be equivalent to the use of gaseous dopants and CVD SiO2 masks previously used. This results in a projected cost reduction of 0.02 1980$/Watt for a 25 MW/year production line, and makes possible junction formation processes having a higher throughput than more conventional processes. The effect of a low-energy (0.4 keV) hydrogen ion implant on dendritic web solar cells was also investigated. Such an implant was observed to improve Voc and Jsc substantially. Measurements of internal quantum efficiency suggest that it is the base of the cell, rather than the emitter, which benefits from the hydrogen implant. The diffusion length for electrons in the p-type base increased from 53 microns to 150 microns in one case, with dendritic web cell efficiency being boosted to 15.2 percent. The mechanism by which low-energy hydrogen ions can penetrate deeply into the silicon to effect the observed improvement is not known at this time.

Meier, D. L.↗

OFraMP: a fragment-based tool to facilitate the parametrization of large molecules

Abstract An Online tool for Fragment-based Molecule Parametrization (OFraMP) is described. OFraMP is a web application for assigning atomic interaction parameters to large molecules by matching sub-fragments within the target molecule to equivalent sub-fragments within the Automated Topology Builder (ATB, atb.uq.edu.au) database. OFraMP identifies and compares alternative molecular fragments from the ATB database, which contains over 890,000 pre-parameterized molecules, using a novel hierarchical matching procedure. Atoms are considered within the context of an extended local environment (buffer region) with the degree of similarity between an atom in the target molecule and that in the proposed match controlled by varying the size of the buffer region. Adjacent matching atoms are combined into progressively larger matched sub-structures. The user then selects the most appropriate match. OFraMP also allows users to manually alter interaction parameters and automates the submission of missing substructures to the ATB in order to generate parameters for atoms in environments not represented in the existing database. The utility of OFraMP is illustrated using the anti-cancer agent paclitaxel and a dendrimer used in organic semiconductor devices. Graphical abstract OFraMP applied to paclitaxel (ATB ID 35922).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DESI mock challenge: Halo and galaxy catalogues with the bias assignment method

We present a novel approach to the construction of mock galaxy catalogues for large-scale structure analysis based on the distribution of dark matter halos obtained with effective bias models at the field level. We aim to produce mock galaxy catalogues capable of generating accurate covariance matrices for a number of cosmological probes that are expected to be measured in current and forthcoming galaxy redshift surveys (e.g. two- and three-point statistics). The construction of the catalogues shown in this paper is part of a mock-comparison project within the Dark Energy Spectroscopic Instrument (DESI) collaboration. We use the bias assignment method ( BAM ) to model the statistics of halo distribution through a learning algorithm using a few detailed N-body simulations, and approximated gravity solvers based on Lagrangian perturbation theory. We introduce cosmic-web-dependent corrections to modelling redshift-space distortions at the N-body level – both in the halo and galaxy distributions –, as well as a multi-scale approach for accurate assignment of halo properties. Using specific models of halo occupation distributions to populate halos, we generate galaxy mocks with the expected number density and central-satellite fraction of emission-line galaxies, which are a key target of the DESI experiment. BAM generates mock catalogues with per cent accuracy in a number of summary statistics, such as the abundance, the two- and three-point statistics of halo distributions, both in real and redshift space. In particular, the mock galaxy catalogues display ~3%-10% accuracy in the multipoles of the power spectrum up to scales of k ~ 0.4 h -1 Mpc. We show that covariance matrices of two- and three-point statistics obtained with BAM display a similar structure to the reference simulation. BAM offers an efficient way to produce mock halo catalogues with accurate two- and three-point statistics and is able to generate a variety of multi-tracer catalogues with precise covariance matrices of several cosmological probes. We discuss future developments of the algorithm towards mock production in DESI and other galaxy-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Community size-spectra applied to recreational freshwater fisheries in Puerto Rican reservoirs

We developed a management framework based on community size-spectra (CSS) to establish targets to maximize desirable gamefish. We evaluated the influence of relative abundance of fish functional groups and watershed characteristics on the slope of the CSS or ecological efficiency. Both ecological efficiency and capacity were strongly influenced by relative abundance of fish functional groups and the degree of water level variation. Steeper slopes indicated overfished gamefish populations, whereas flatter slopes indicated systems dominated by undesirable invasive large-bodied low trophic position fish. We hypothesize that a desirable fishery would have a target range of CSS slopes that provides a deterministic community-based framework of predictable responses to environmental and food web changes that can be used to evaluate outcomes of management actions and a means to assess annual progress toward desirable conditions.

60 APPLIED LIFE SCIENCES↗

COVID-19 Data Curation Effort: An Initial Analysis of the Data

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a county level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes, combined with the unpredictable shifts in data format, meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. Further, the team had to scale up staff and widen its approach for capture and storage. As a result, the team collected more than 11 million data points. Following the close of this data collection effort on June 30 th , 2020, the team embarked on a major effort to appraise what had been collected, including an inventory list, spatial completeness, temporal completeness, scale and geographic characteristics, and a determination. A report on this matter was submitted on September 15 th , 2020, titled “DOE COVID-19 Data Curation Effort: Overview of Data Collection Coverage”. Over 2000 unique attributes had been netted over a wide range of spatial scales, including state, county, zip codes, health regions, and census blocks. Over 11 million individual data points were collected across these attributes, and spatial coverage (in total) included all 50 states and multiple territories. What became apparent in the process is that in the absence of any data standards, many states reported a wide variety of unique attributes that were not always compatible with attributes reported in other states. As time continued, states began adding new attributes and offering finer grain detail in some older attributes. This meant that not all data streams existed for the entire time period; in fact, the number tended to increase dramatically towards the end. Often, states would begin an attribute series and then stop altogether. These highly variable and uncertain conditions illuminated the need for harmonization approaches that would reconcile and conflate changing attribute names and detail over time. For example, grouping racial data reported as either Black or African American, depending on the state, into a single harmonized attribute. These choices would make a within-state analysis possible during the time period and lead to potential between-state analytics later on. This was almost entirely a manual decision process, requiring some subjective decision-making at times, to prevent a fragmented, short-lived collection of time series fragments that would offer few insights into trends, patterns, and correlates. This report imports harmonized data for state and county into the World Spatio-Temporal Analytics and Mapping Project (WSTAMP). WSTAMP is a major space-time analysis and visualization tool developed at ORNL for the National Geospatial-Intelligence Agency specifically for this kind of exploratory analysis. WSTAMP offers a rich analytical and graphical environment consisting of a wide range of analytics. These include time series plots, statistical summaries, data mining techniques, trend and pattern detection, and hypothesis generation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE COVID-19 Data Curation Effort: Overview of Initial Data Collection Coverage (March - June 2020)

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery, but only at the state level. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a count level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes combined with the unpredictable shifts in data format meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. To keep up, the team had to scale up staff and widen its approach for capture and storage. The DOE COVID-19 data collection effort resulted in over 11 million data points being collected, covering over 13,000 unique geographies and over 2,000 unique attributes that spanned predominantly from early March through the end of June 2020.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Tools for Water Ingress Testing

The Safety Storage and Engineering Team, as part of the Production Support Services division (PSS-2), is tasked with ensuring the safety of containers used for handling and storage of nuclear materials. As part of this work, water ingress tests are conducted to evaluate the water-tightness of containers intended for in-glovebox use. In collaboration, the statistics group of the Computer and Computational Sciences Division (CCS-6) provided support in developing a statistically defensible approach for determining appropriate sample sizes for water ingress testing. Water ingress testing involves multiple measurements on multiple containers. Our approach uses a simple random effects model to analyze a pilot data set, implementing prediction limits to evaluate the efficacy of collecting additional data. Although this study capitalizes on available data, our approach can be used with estimates of the ratio of between and within variability and average values, often available from past testing or expert knowledge. An interactive Shiny tool was developed as a final user-friendly product for future testing. The Shiny interface is an open-source package providing a framework for building web applications. Raw data exploration and prediction interval-based sample size assessments can quickly be conducted by the engineering team without needing to interact with the underlying code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The torsional stiffness of thin duralumin shells subjected to large torques

This report gives a simple method of estimating the torsional stiffness of thin shells, such as box beams or stressed-skin wings under large torque loads. A general efficiency chart for shells in torsion is established, based on the assumption that the efficiency of the web sheet in resisting deformation decreases linearly with the average stress. The chart is used to calculate the torsional deflections of eight box beams, a test wing panel, and a complete wing; the results of the calculations are shown in comparison with the test results. The agreement is probably as good as might be expected considering the empirical nature of the method and the well-known dispersion between results of tests on thin sheet-metal structures.

Kuhn, Paul↗