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At least 667 records · Page 37

Genomes OnLine Database (GOLD) v.10: new features and updates

The Genomes OnLine Database (GOLD; https://gold.jgi.doe.gov/) at the Department of Energy Joint Genome Institute is a comprehensive online metadata repository designed to catalog and manage information related to (meta)genomic sequence projects. GOLD provides a centralized platform where researchers can access a wide array of metadata from its four organization levels namely Study, Organism/Biosample, Sequencing Project and Analysis Project. GOLD continues to serve as a valuable resource and has seen significant growth and expansion since its inception in 1997. With its expanded role as a collaborative platform, it not only actively imports data from other primary repositories like National Center for Biotechnology Information but also supports contributions from researchers worldwide. This collaborative approach has enriched the database with diverse datasets, creating a more integrated resource to enhance scientific insights. As genomic research becomes increasingly integral to various scientific disciplines, more researchers and institutions are turning to GOLD for their metadata needs. To meet this growing demand, GOLD has expanded by adding diverse metadata fields, intuitive features, advanced search capabilities and enhanced data visualization tools, making it easier for users to find and interpret relevant information. This manuscript provides an update and highlights the new features introduced over the last 2 years.

59 BASIC BIOLOGICAL SCIENCES↗

Information Metacatalog for a Grid

SWIM is a Software Information Metacatalog that gathers detailed information about the software components and packages installed on a grid resource. Information is currently gathered for Executable and Linking Format (ELF) executables and shared libraries, Java classes, shell scripts, and Perl and Python modules. SWIM is built on top of the POUR framework, which is described in the preceding article. SWIM consists of a set of Perl modules for extracting software information from a system, an XML schema defining the format of data that can be added by users, and a POUR XML configuration file that describes how these elements are used to generate periodic, on-demand, and user-specified information. Periodic software information is derived mainly from the package managers used on each system. SWIM collects information from native package managers in FreeBSD, Solaris, and IRX as well as the RPM, Perl, and Python package managers on multiple platforms. Because not all software is available, or installed in package form, SWIM also crawls the set of relevant paths from the File System Hierarchy Standard that defines the standard file system structure used by all major UNIX distributions. Using these two techniques, the vast majority of software installed on a system can be located. SWIM computes the same information gathered by the periodic routines for specific files on specific hosts, and locates software on a system given only its name and type.

Kolano, Paul↗

Challenges of Operations in a Dynamic Environment: A Three-Year Perspective of SAGE III

The Stratospheric Aerosol and Gas Experiment~III on the International Space Station (SAGE III/ISS) was delivered to the International Space Station (ISS) on 23 February 2017. The SAGE III/ISS payload was robotically installed external to the ISS and began acquiring science measurements on 17 March 2017. The SAGE III/ISS instrument retrieves vertical profiles of atmospheric ozone, multi-wavelength aerosol extinctions, and other gaseous species. This paper will focus on the improvements made to the operations of the SAGE III/ISS payload. A key focus of the operations team following commissioning was to create robust tools that aide in the operations of the payload. A close collaboration with the SAGE III/ISS ground systems team allowed for the development of web-based tools to continuously monitor the health of the instrument. The mission operations team also worked with the SAGE III/ISS science team to gain a better sense of how the instrument works to maximize the quality and quantity of the science data collected. Another unique aspect of the SAGE III/ISS payload, that will be discussed, is the challenges of operating a hosted payload on the ISS; an active platform that has frequent attitude maneuvers, dockings, and EVA's. This active environment increases the need for the SAGE III/ISS operations team command the payload. Through coordination and teamwork, SAGE III/ISS mission has developed an operations team that has successfully managed the instrument around ISS activities and recovered from multiple instrument upsets. This has led the SAGE III/ISS payload to successfully surpass the acquisition metrics set forth prior to launch, allowing for the continued contribution to studying the atmospheric composition of the stratosphere and how it plays a role in earth’s climate.

SAGE III↗

Global-to-local air quality forecasts using the NASA GEOS Composition Forecast System

Since 2019, the NASA Global Earth Observing System (GEOS) model has been used to generate global, near-real-time estimates and daily five-day forecasts of atmospheric composition at a horizontal resolution of 0.25 degrees (~25 km) from the surface up to the lower mesosphere. This composition forecast system (“GEOS-CF”) combines the GEOS weather forecasting model with the state-of-the-science GEOS-Chem chemistry module to deliver detailed analysis of a wide range of air pollutants, including the policy-relevant species such as ozone, carbon monoxide, nitrogen oxides, sulfur dioxide and fine particulate matter (PM2.5). Because GEOS-CF includes atmospheric levels up through the stratosphere, this system has been leveraged to support the Tropospheric Emissions: Monitoring of Pollution (TEMPO) satellite mission and provide stratospheric intrusion alerts to ground-based monitoring stations. We will present recent advances to GEOS-CF which target increased computational efficiency and accuracy. These include the incorporation of simplified chemistry mechanisms to accelerate model forecasts, use of model-observation data fusion techniques to provide highly localized forecasts, and assimilation of satellite observations to produce more accurate model analyses. We further discuss our attempts to make these tools publicly available on platforms outside the NASA domain, such as Google Earth Engine and Amazon Web Services with the goal to facilitate the integration of state-of-the-science air quality information onto platforms used by stakeholders, air quality managers, and the public.

Emma Knowland↗

Fast, Controllable, and Modular Solid-State Circuit Breaker Design for Battery Management Systems

Electric power grid is experiencing a growing number of distributed and inertia-free generation resources. To facilitate the growing generation and load demands, and ensure stable operation, energy storage systems, especially behind-themeter-storage (BTMS), have emerged as a potential candidate. BTMS plays a vital role in the grid storage sector and supports high power charging for EVs. However, the potential of thermal runaway and associated safety concerns in the batteries can hamper their widespread adoption. In this work, we provide a solution for a fast and controllable discharge of a cell that was identified as a stressful/faulty, in the battery pack, and fast circuit breaking leveraging the Solid-State Circuit Breaker (SSCB) technology which provides active control over the cell connection as opposed to conventional passive solutions. Testing on the simulation platform successfully validated the concept, demonstrating its efficacy. Controlled discharge testing with 20Ah LiFePO4 Lithium Iron Phosphate (LFP) cells from 1C-10C current rate on the hardware prototype corroborated simulation results, demonstrating design feasibility and providing essential data for its performance and thermal characteristics, while also revealing limitations that inform areas for further optimization.

33 ADVANCED PROPULSION SYSTEMS↗

Enabling Interoperable SCADA Communications for PV Inverters through Embedded Controllers

The percentage integration of photovoltaic (PV) inverters in the field has increased significantly in the past 5 years. Regardless of the size of the PV plants and the inverters (residential vs. commercial), it is becoming crucial that these devices have the capability to communicate with peers (other smart devices) and with components that are at a hierarchy above the inverters (e.g., supervisory control and data acquisition (SCADA) systems, distributed controllers, and data managers). This project aims to develop a standard SCADA software code for inverters’ embedded controllers that will enable interoperability with other components in the system. To achieve this, the code will be developed using two different protocols: Distributed Network Protocol 3 and International Electrotechnical Commission 61850. The developed code is aimed to be deployed in simple embedded controllers. It will be tested in the National Renewable Energy Laboratory’s (NREL’s) Energy Systems Integration Facility. The tested code will then be made available through Triangle MicroWorks’s (TMW’s) software platform. The primary objectives of this project include training the NREL team with TMW’s embedded controller libraries, developing an interoperable communication code for embedded controllers, successfully testing and deploying the code, and demonstrating the newly developed code in a conference.

14 SOLAR ENERGY↗

A galactic approach to neutron scattering science

Neutron scattering science is leading to significant advances in our understanding of materials and will be key to solving many of the challenges that society is facing today. Improvements in scientific instruments are actually making it more difficult to analyze and interpret the results of experiments due to the vast increases in the volume and complexity of data being produced and the associated computational requirements for processing that data. New approaches to enable scientists to leverage computational resources are required, and Oak Ridge National Laboratory (ORNL) has been at the forefront of developing these technologies. We recently completed the design and initial implementation of a neutrons data interpretation platform that allows seamless access to the computational resources provided by ORNL. For the first time, we have demonstrated that this platform can be used for advanced data analysis of correlated quantum materials by utilizing the world's most powerful computer system, Frontier. In particular, we have shown the end-to-end execution of the DCA++ code to determine the dynamic magnetic spin susceptibility χ(q, ω) for a single-band Hubbard model with Coulomb repulsion U/t = 8 in units of the nearest-neighbor hopping amplitude t and an electron density of n = 0.65. The following work describes the architecture, design, and implementation of the platform and how we constructed a correlated quantum materials analysis workflow to demonstrate the viability of this system to produce scientific results.

97 MATHEMATICS AND COMPUTING↗

Demonstrating Reliable High Level Waste Slurry Sampling Techniques to Support Hanford Waste Processing

The Hanford Tank Operations Contractor (TOC) and the Hanford Waste Treatment and Immobilization Plant (WTP) contractor are both engaged in demonstrating mixing, sampling, and transfer system capability using simulated Hanford High-Level Waste (HL W) formulations. This work represents one of the remaining technical issues with the high-level waste treatment mission at Hanford. The TOC must demonstrate the ability to adequately mix and sample high-level waste feed to meet the WTP Waste Acceptance Criteria and Data Quality Objectives. The sampling method employed must support both TOC and WTP requirements. To facilitate information transfer between the two facilities the mixing and sampling demonstrations are led by the One System Integrated Project Team. The One System team, Waste Feed Delivery Mixing and Sampling Program, has developed a full scale sampling loop to demonstrate sampler capability. This paper discusses the full scale sampling loops ability to meet precision and accuracy requirements, including lessons learned during testing. Results of the testing showed that the Isolok(R) sampler chosen for implementation provides precise, repeatable results. The Isolok(R) sampler accuracy as tested did not meet test success criteria. Review of test data and the test platform following testing by a sampling expert identified several issues regarding the sampler used to provide reference material used to judge the Isolok's accuracy. Recommendations were made to obtain new data to evaluate the sampler's accuracy utilizing a reference sampler that follows good sampling protocol.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

WISE: Automated support for software project management and measurement

One important aspect of software development and IV&V is measurement. Unless a software development effort is measured in some way, it is difficult to judge the effectiveness of current efforts and predict future performances. Collection of metrics and adherence to a process are difficult tasks in a software project. Change activity is a powerful indicator of project status. Automated systems that can handle change requests, issues, and other process documents provide an excellent platform for tracking the status of the project. A World Wide Web based architecture is developed for (a) making metrics collection an implicit part of the software process, (b) providing metric analysis dynamically, (c) supporting automated tools that can complement current practices of in-process improvement, and (d) overcoming geographical barrier. An operational system (WISE) instantiates this architecture allowing for the improvement of software process in a realistic environment. The tool tracks issues in software development process, provides informal communication between the users with different roles, supports to-do lists (TDL), and helps in software process improvement. WISE minimizes the time devoted to metrics collection, analysis, and captures software change data. Automated tools like WISE focus on understanding and managing the software process. The goal is improvement through measurement.

Ramakrishnan, Sudhakar↗

Requirements for Cataloging Hanford Geophysical Datasets

Environmental management activities at the Hanford Site produce extensive data about site conditions, contaminants, cleanup, and more. Managing and archiving that data requires a high degree of collaboration among site contractors and a high level of awareness by project managers and staff. Part of that effort is developing a Hanford Environmental Information and Data Index (HEIDI) to organize the data and maximize its value by making it findable and available for reuse. The objective is to catalog the disparate data sets collected to address the evolving needs of planning, executing, and documenting cleanup over several decades up to the present day, including links to active data sources when available. A properly implemented data catalog makes finding environmental datasets related to an area or theme a routine, reliable process, without requiring the searcher to have special knowledge that a data set exists and where it may be stored. In this project, a working group, including the U.S. Department of Energy, the Hanford Site contractors, and Pacific Northwest National Laboratory staff, identified needs and requirements for handling complex site data. Geophysical data was chosen as a test case because it can be large and complex and often involves multiple processing steps to extract the information incorporated into deliverables. The ability to document those steps was one of the requirements identified for the catalog. In addition to developing requirements, other activities included selecting a metadata schema and initial testing with the objective of determining whether the workflow and capabilities of selected data catalog software platforms were sufficient to implement and impose the identified requirements. This initial testing involved running the default catalog instance using the software platform of interest and altering the configuration to achieve each requirement, if possible. Where configuration alone was insufficient, the possibility of modifying the software by changing the code was examined, but not implemented. A follow-on task is planned to reprogram the code as necessary to implement requirements in a prototype catalog.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Robotic Nipple-Sparing Mastectomy and Immediate Breast Reconstruction with Gel Implant: Technique, Preliminary Results and Patient-Reported Cosmetic Outcome

Background: Experience with application of a robotic surgery platform in the management of breast cancer is limited. The preliminary results of the robotic nipple-sparing mastectomy (R-NSM) and immediate breast reconstruction (IBR) with Gel implant procedure are reported. Methods: The medical records of patients from a single institution who underwent an R-NSM and IBR with Gel implant procedure for breast cancer during the period March 2017 to February 2018 were assessed. Data on clinicopathologic characteristics, type of surgery, complications, and recurrence were analyzed to determine the effectiveness and oncologic safety of R-NSM. Patient-reported cosmetic outcome results were obtained. Results: A total of 22 patients who received 23 R-NSM and IBR with Gel implant procedures were analyzed. The mean operation time for R-NSM was 118.8 ± 50.6 min, and 74.5 ± 26.6 min for Gel implant reconstruction. Docking time quickly dropped from 20 to 6–8 min, and the time needed to complete R-NSM was usually completed within 100 min after accumulation of case experience. Mean blood loss was 37 ± 38.2 mL, and the positive surgical margin rate was 0%. Three (13%) patients had transit nipple ischemia change, and no total nipple-areolar complex necrosis cases were observed. No local recurrence or mortality was found during a mean 6.9 ± 3.5 months of follow-up. All 22 patients were satisfied with the postoperative aesthetic outcome. Conclusion: From our preliminary experience, R-NSM and IBR with Gel implant is a safe procedure, with good cosmetic results, and could be a promising new technique for breast cancer patients indicated for mastectomy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Design definition of the Laser Atmospheric Wind Sounder (LAWS), phase 2. Volume 2: Final report

Lockheed personnel, along with team member subcontractors and consultants, have performed a preliminary design for the LAWS Instrument. Breadboarding and testing of a LAWS class laser have also been performed. These efforts have demonstrated that LAWS is a feasible Instrument and can be developed with existing state-of-the-art technology. Only a commitment to fund the instrument development and deployment is required to place LAWS in orbit and obtain the anticipated science and operational forecasting benefits. The LAWS Science Team was selected in 1988-89 as were the competing LAWS phase 1/2 contractor teams. The LAWS Science Team developed requirements for the LAWS Instrument, and the NASA/LAWS project office defined launch vehicle and platform design constraints. From these requirements and constraints, the lockheed team developed LAWS Instrument concepts and configurations. A system designed to meet these requirements and constraints is outlined. The LAWS primary subsystem and interfaces - laser, optical, and receiver/processor - required to assemble a lidar are identified. Also identified are the support subsystems required for the lidar to function from space: structures and mechanical, thermal, electrical, and command and data management. The Lockheed team has developed a preliminary design of a LAWS Instrument System consisting of these subsystems and interfaces which will meet the requirements and objectives of the Science Team. This final report provides a summary of the systems engineering analyses and trades of the LAWS. Summaries of the configuration, preliminary designs of the subsystems, testing recommendations, and performance analysis are presented. Environmental considerations associated with deployment of LAWS are discussed. Finally, the successful LAWS laser breadboard effort is discussed along with the requirements and test results.

Wilson, D. J.↗

Characterizing parallel file-access patterns on a large-scale multiprocessor

Rapid increases in the computational speeds of multiprocessors have not been matched by corresponding performance enhancements in the I/O subsystem. To satisfy the large and growing I/O requirements of some parallel scientific applications, we need parallel file systems that can provide high-bandwidth and high-volume data transfer between the I/O subsystem and thousands of processors. Design of such high-performance parallel file systems depends on a thorough grasp of the expected workload. So far there have been no comprehensive usage studies of multiprocessor file systems. Our CHARISMA project intends to fill this void. The first results from our study involve an iPSC/860 at NASA Ames. This paper presents results from a different platform, the CM-5 at the National Center for Supercomputing Applications. The CHARISMA studies are unique because we collect information about every individual read and write request and about the entire mix of applications running on the machines. The results of our trace analysis lead to recommendations for parallel file system design. First the file system should support efficient concurrent access to many files, and I/O requests from many jobs under varying load conditions. Second, it must efficiently manage large files kept open for long periods. Third, it should expect to see small requests predominantly sequential access patterns, application-wide synchronous access, no concurrent file-sharing between jobs appreciable byte and block sharing between processes within jobs, and strong interprocess locality. Finally, the trace data suggest that node-level write caches and collective I/O request interfaces may be useful in certain environments.

Purakayastha, Apratim↗

Nationwide Buildings Energy Research enabled through an integrated Data Intensive Scientific Workflow and Advanced Analysis Environment

Modern workflow systems enable scientists to run ensemble simulations at unprecedented scales and levels of complexity, allowing them to study system sizes previously impossible to achieve, due to the inherent resource requirements needed for the modeling work. However as a result of these new capabilities the science teams suddenly also face unprecedented data volumes that they are unable to analyze with their existing tools and methodologies in a timely fashion. In this paper we will describe the ongoing development work to create an integrated data intensive scientific workflow and analysis environment that offers researchers the ability to easily create and execute complex simulation studies and provides them with different scalable methods to analyze the resulting data volumes. The integration of simulation and analysis environments is hereby not only a question of ease of use, but supports fundamental functions in the correlated analysis of simulation input, execution details and derived results for multi-variant, complex studies. To this end the team extended and integrated the existing capabilities of the Velo data management and analysis infrastructure, the MeDICi data intensive workflow system and RHIPE the R for Hadoop version of the well-known statistics package, as well as developing a new visual analytics interface for the result exploitation by multi-domain users. The capabilities of the new environment are demonstrated on a use case that focusses on the Pacific Northwest National Laboratory (PNNL) building energy team, showing how they were able to take their previously local scale simulations to a nationwide level by utilizing data intensive computing techniques not only for their modeling work, but also for the subsequent analysis of their modeling results. As part of the PNNL research initiative PRIMA (Platform for Regional Integrated Modeling and Analysis) the team performed an initial 3 year study of building energy demands for the US Eastern Interconnect domain, which they are now planning to extend to predict the demand for the complete century. The initial study raised their data demands from a few GBs to 400GB for the 3year study and expected tens of TBs for the full century.

99 GENERAL AND MISCELLANEOUS↗

Data management for Large Space Telescope

The data management system for the Large Space Telescope (LST) must be capable of meeting requirements of 160 million bits per 95 min orbit with a bit error rate of less than 0.00001 for data. The system will be supported by the Tracking and Data Relay Satellite System of the Space Tracking and Data Network. The on-board system includes a general purpose computer that controls the vehicle as a stable observation platform and the array of instruments used for data collection. The ground-based system comprises a Mission Operations Center (MOC), a Science Institute where instrument data is processed, and a communications service for the space and point-to-point data flow. The allocation of hardware and software between on-board and ground-based components to achieve design objectives of maximum flexibility at minimum cost is discussed.

Hope, G. R., Jr.↗

MILK : a Python scripting interface to MAUD for automation of Rietveld analysis

Modern diffraction experiments ( e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies ( i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction ( MAUD ), the MAUD Interface Language Kit ( MILK ) is developed along with an updated text batch interface for MAUD . The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD . Using MILK , model selection ( e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD . Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye–Scherrer , a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

97 MATHEMATICS AND COMPUTING↗

Robonaut 2 and Watson: Cognitive Dexterity for Future Exploration

Future exploration missions will dictate a level of autonomy never before experienced in human spaceflight. Mission plans involving the uncrewed phases of complex human spacecraft in deep space will require a coordinated autonomous capability to be able to maintain the spacecraft when ground control is not available. One promising direction involves embedding intelligence into the system design both through the employment of state-of-the-art system engineering principles as well as through the creation of a cognitive network between a smart spacecraft or habitat and embodiments of cognitive agents. The work described here details efforts to integrate IBM's Watson and other cognitive computing services into NASA Johnson Space Center (JSC)'s Robonaut 2 (R2) anthropomorphic robot. This paper also discusses future directions this work will take. A cognitive spacecraft management system that is able to seamlessly collect data from subsystems, determine corrective actions, and provide commands to enable those actions is the end goal. These commands could be to embedded spacecraft systems or to a set of robotic assets that are tied into the cognitive system. An exciting collaboration with Woodside provides a promising Earth-bound testing analog, as controlling and maintaining not normally manned off-shore platforms have similar constraints to the space missions described.

Badger, Julia M.↗

Operations Challenges in a Dynamic Environment: A Three-Year Perspective of SAGE III

The Stratospheric Aerosol and Gas Experiment III on the International Space Station (SAGE III/ISS) was delivered to the International Space Station (ISS) on 23 February 2017. The SAGE III/ISS payload was robotically installed external to the ISS and began acquiring science measurements on 17 March 2017. The SAGE III/ISS instrument retrieves vertical profiles of atmospheric ozone, multi-wavelength aerosol extinctions, and other gaseous species. This paper will focus on the improvements made to the operations of the SAGE III/ISS payload. A key focus of the operations team following commissioning was to create robust tools that aid in the operations of the payload. A close collaboration with the SAGE III/ISS ground systems team allowed for the development of web-based tools to continuously monitor the health of the payload. The mission operations team also worked with the SAGE III/ISS science team to gain a better sense of how the instrument works to maximize the quality and quantity of the science data collected. Another unique aspect of the SAGE III/ISS payload, that will be discussed, is the challenges of operating a hosted payload on the ISS; an active platform that has frequent attitude maneuvers, dockings, and EVAs. This active environment increases the need for the SAGE III/ISS operations team command to the payload. Through coordination and teamwork, SAGE III/ISS mission has developed an operations team, tool, and procedures that have successfully managed the payload around ISS activities and recovered from multiple instrument upsets. This has led the SAGE III/ISS payload to successfully surpass the acquisition metrics set forth prior to launch, allowing for the continued contribution to studying the atmospheric composition of the stratosphere and how it plays a role in Earth’s climate.

SAGE III↗