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At least 559 records · Page 31

Toward the Development of an Integrated Global Observing Strategy

In the current environment of stagnant or shrinking budgets for space research and exploration, nations can no longer afford to develop costly systems in a vacuum. Greater coordination of existing and planned systems, both among space agencies and between the space agencies and user communities, will enable the maximization of global investments in all areas of space-related research. In this manner, a group of space agencies has embarked on an initiative to link their activities in Earth observation with complementary observation programs. The goal of this initiative is to develop a comprehensive strategy for enhanced levels of support to scientific, operational and research communities. The space agencies, through the Committee on Earth Observation Satellites (CEOS), have embraced the concept of an Integrated Global Observing Strategy (IGOS), primarily in fulfillment of their own set of objectives and to derive greater benefit from both operating and planned Earth observing systems. Through working together, CEOS agencies are in a position to plan their Earth observation projects with the minimum of unnecessary overlap and to devise joint strategies for addressing serious gaps in their observation capabilities. Ultimately, an IGOS should be the joint product of all groups involved in the collection and analysis of both space-based and in-situ data. CEOS is actively seeking IGOS -related partnerships with the Global Climate, Global Ocean and Global Terrestrial Observing Systems, their intergovernmental Sponsors, the International Group of Funding Agencies for Global Change Research, and other scientific and user organizations including the International Geosphere-Biosphere Programme and the World Climate Research Programme.

Charles, Leslie Bermann↗

MiniMOD

SAND2025-03854O MiniMod is a user-friendly software tool designed to assess the performance of high-performance computing (HPC) systems. Researchers can use the program to test communication methods and computational tasks to understand how different setups can affect application efficiency. This software is particularly useful for optimizing network performance in scientific research, simulations, and data analysis. MiniMod‘s flexible design allows users to make informed decisions about their computing environments, which can enhance productivity and results in real-world applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Dosanjh, Matthew [Sandia National Lab. (SNL-CA), L↗

Environmental Extremes: Building a New Research Partnership between the University of Nevada Reno and the Pacific Northwest National Laboratory (Final Report)

This project focused on strengthening research partnership and collaboration between the University of Nevada, Reno (UNR) and the Pacific Northwest National laboratory (PNNL) in two focused areas: wildfires and hydrology in the context of environmental extremes. The goal was to overcome barriers and bring UNR university researchers, students, and postdocs up to speed and entrained into DOE/SC/BER /Earth and Environmental System Science Division’s (EESSD) environmental research enterprise. UNR continues to work with the Earth and Biological Sciences Directorate (EBSD) at PNNL to create a broad new collaborative research program connecting scientists and research faculty at the two institutions. This research partnership has been designed to increase the capabilities and velocities of both institutions by developing long-term relationships between researchers from each institution, exposing university researchers to the deep capabilities in the DOE National Laboratories and user facilities, and establishing a pipeline of skilled and experienced graduate students and postdoctoral researchers ready to work alongside DOE scientists to take on grand challenge science problems. These collaborations are intended to ultimately benefit the public by advancing scientific discovery, unleashing the scientific potentials through collaboration and connection, enriching the technical and scientific competitiveness of our nation, and enabling the development of a skilled workforce to tackle the critical scientific challenges that face our nation’s security, infrastructure, and prosperity.

54 ENVIRONMENTAL SCIENCES↗

Interoperability and Concepts of Operation Assessment for Space Relay Services and Partnerships

The United States National Space Policy provides guidance and directives for U.S. Government agencies to purchase commercial space services and capabilities to the maximum extent practical. In alignment with this guidance, NASA is exploring potential industry partnerships to leverage current or planned commercial space communication and navigation infrastructure to provide services to NASA user missions in the mid-2020s. Leveraging commercial infrastructure and reducing NASA’s reliance on government-owned and operated infrastructure should yield substantial development and operations cost savings. Additionally, the commercial services market will offer NASA a variety of service offerings at competitive prices, while simultaneously allowing NASA to benefit from commercial best practices. Under Appendix G of the Next Space Technologies for Exploration Partnerships (NextSTEP-2) Broad Agency Announcement (BAA), NASA awarded contracts to eight study vendors in May 2019 to investigate the feasibility of applying commercial services concepts to the NASA user mission community. The studies, managed by NASA Glenn Research Center, were completed in October 2019 and detailed ten study topic areas, three of which included: service provider interoperability, user terminal interoperability, and commercial services concept of operations. This report provides a summary of the significant (non-proprietary) findings and recommendations relating to those study areas from the BAA study vendors.

Eric J Knoblock↗

Dani Sleight Intern Poster

The NRDS Portal is a login-based data storage solution and science data gateway for researchers to centralize and analyze data before publication. Users can upload, edit, review, and approve their own datasets within the site to eventually be published for public use on the main NRDS site. More development was needed to extend NRDS Portal with new Artificial Intelligence features.

99 - GENERAL AND MISCELLANEOUS↗

Argonne Leadership Computing Facility: 2021 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for calendar year (CY) 2021 as an advanced scientific computing center. In CY 2021, the ALCF operated its production resource, Theta, an Intel-based Cray XC40 system (11.7-petaflops) augmented with 24 NVIDIA DGX A100-based nodes (3.9-petaflops) that supports diverse workloads, integrating data analytics with artificial intelligence (AI) training and learning in a single platform. In 2021, we began deploying Polaris, our newest 40- petaflops system, and augmented this powerful testbed system with an additional 28 nodes to support the integration of real-time experiments and HPC resources. We also deployed our two largest storage systems yet, named Grand and Eagle, that will bring new services to our users and will power data-driven research for years to come. Last year, Theta delivered a total of 20.8 million node-hours to 16 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) projects and 7.2 million node-hours to ASCR Leadership Computing Challenge (ALCC) projects (32 awarded during the 2020–2021 ALCC year and 17 awarded during the 2021–2022 ALCC year), as well as substantial support to Director’s Discretionary (DD) projects (5.5 million node-hours). As Table ES.1 shows, Theta performed exceptionally well in terms of overall availability (95.1 percent), scheduled availability (99.4 percent), and utilization (98.1 percent; Table 2.1). As of the submission date of this document, ALCF’s user community has published 249 papers in high-quality, peer-reviewed journals and technical proceedings. At the 2021 International Conference for High Performance Computing, Networking, Storage and Analysis (SC’21), Argonne researchers won two HPCwire Readers’ Choice Awards and were part of a Gordon Bell Prize finalist team recognized for developing an AI-enabled, multi-resolution simulation framework for studying complex biomolecular machines. Their framework was used to observe the SARS-CoV-2 replication-transcription machinery in action, by directly integrating experimental data. ALCF also provided a comprehensive program of high-performance computing (HPC) support services to help our community make productive use of the facility’s diverse and growing collection of resources. We are now entering the exascale era, with exascale machines being planned for national laboratories across the country, including Aurora at Argonne National Laboratory (Argonne) in 2023. ALCF researchers have been leading and guiding numerous strategic activities that will push the boundaries of what’s possible in computational science and engineering and allow us to deliver science on day one.

97 MATHEMATICS AND COMPUTING↗

Short-term Prediction Research and Transition Center

SPoRT: Translating science to user-centered products and capabilities that enable Earth Action. SPoRT was established in 2002 as part of the ESD R&A Weather Focus Area with the mission to accelerate the adoption of NASA Earth Science satellite data within the National Weather Service (NWS).

Emily Berndt↗

Library for Evolutionary Algorithms in Python (LEAP)

There are generally three types of scientific software users: users that solve problems using existing science software tools, researchers that explore new approaches by extending existing code, and educators that teach students scientific concepts. Python is a general-purpose programming language that is accessible to beginners, such as students, but also as a language that has a rich scientific programming ecosystem that facilitates writing research software. Additionally, as high-performance computing (HPC) resources become more readily available, software support for parallel processing becomes more relevant to scientific software.There currently are no Python-based evolutionary computation frameworks that support all three types of scientific software users. Moreover, some support synchronous concurrent fitness evaluation that do not efficiently use HPC resources. We pose here a new Python-based EC framework that uses an established generalized unified approach to EA concepts to provide an easy to use toolkit for users wishing to use an EA to solve a problem, for researchers to implement novel approaches, and for providing a low-bar to entry to EA concepts for students. Additionally, this toolkit provides a scalable asynchronous fitness evaluation implementation friendly to HPC that has been vetted on hardware ranging from laptops to the world’s fastest supercomputer, Summit.

Coletti, Mark↗

TAE Plus: A conceptual view of TAE in the space station era

The use of the Transportable Applications Executive (TAE) for prototyping user interfaces has been the prime force behind the new TAE research and development work. The Data Systems Technology Division at GSFC is developing prototypes of user interfaces for different functions involved in the operation, analysis and data communication of space station payloads. TAE is a valuable prototyping tool because it enables a developer to build an entire application user interface model and run it without writing a single line of application code. One force driving new development is the need to update TAE's user interface to support the latest interactive graphic device technology. The current TAE, TAE Classic, uses interface techniques designed for an 80x24 character monochrome alphanumeric terminal, but does not effectively utilize features such as windowing, graphics, color, and selection devices available on newer workstations. To meet our needs, development of a TAE Plus began in FY-86 and involves augmenting TAE with three different sets of tools: a user interface toolkit; an application toolkit; and run-time service subroutines. A phased approach is being used to develop TAE Plus. In the first phase, we have met the needs of the user community and provided some support for rapid prototyping by developing a TAE Facelift, which adds an enhanced TAE interface (with windowing, mouse interaction, pull-down menus, etc.) to a select set of graphic workstations. The TAE Facelift allows many new concepts to be tested quickly for feedback and performance. In the second phase, a fully-integrated user interface management system, TAE Plus, will be built that supports the separation of interface from application, with the concomitant ability to prototype and rapidly change interfaces. This robust functionality will support, in an integrated manner, an application's development cycle from the prototype step through to the fully operational system.

Szczur, Martha↗

User guide for WIACX: A transonic wind-tunnel wall interference assessment and correction procedure for the NTF

A three dimensional transonic Wind-tunnel Interference Assessment and Correction (WIAC) procedure developed specifically for use in the National Transonic Facility (NTF) at NASA Langley Research Center is discussed. This report is a user manual for the codes comprising the correction procedure. It also includes listings of sample procedures and input files for running a sample case and plotting the results.

Garriz, Javier A.↗

MLtool: Universal Supervised Machine Learning Tool to Model Tabulated Data

Machine Learning (ML) is a subfield of Artificial Intelligence that gives computers the ability to learn from past data without being explicitly programmed. The predictive capabilities of ML models have already been used to facilitate several scientific breakthroughs. However, the practical application of ML is often limited due to the gaps in technical knowledge of its users. The common issue faced by many scientific researchers is the inability to choose the appropriate ML pipelines that are needed to treat real-world data, which is often sparse and noisy. To solve this problem, we have developed an automated Machine Learning tool (MLtool) that includes a set of ML algorithms and approaches to aid scientific researchers. The current version of MLtool is implemented as an object-oriented Python code that is easily extensible. It includes 44 different regression algorithms used to model data. MLtool helps users select the best model for their data, based on the scoring metrics used. Besides regression algorithms, MLtool also includes a suite of pre- and post-processing techniques such as missing value imputation, categorical variable encoding, input feature normalization, uncertainty quantification, exploratory data analysis (EDA), etc. MLtool was tested on several publicly available multi-dimensional data sets and was found capable of making accurate predictions.

Machine learning↗

MLtool Python Code

Machine Learning (ML) is a subfield of Artificial Intelligence that gives computers the ability to learn from past data without being explicitly programmed. The predictive capabilities of ML models have already been used to facilitate several scientific breakthroughs. However, the practical application of ML is often limited due to the gaps in technical knowledge of its users. The common issue faced by many scientific researchers is the inability to choose the appropriate ML pipelines that are needed to treat real-world data, which is often sparse and noisy. To solve this problem, we have developed an automated Machine Learning tool (MLtool) that includes a set of ML algorithms and approaches to aid scientific researchers. The current version of MLtool is implemented as an object-oriented Python code that is easily extensible. It includes 44 different regression algorithms used to model data. MLtool helps users select the best model for their data, based on the scoring metrics used. Besides regression algorithms, MLtool also includes a suite of pre- and post-processing techniques such as missing value imputation, categorical variable encoding, input feature normalization, uncertainty quantification, exploratory data analysis (EDA), etc. MLtool was tested on several publicly available multi-dimensional data sets and was found capable of making accurate predictions.

Machine Learning↗

APS Science 2020 (Vol. 2)

The U.S. Department of Energy's Advanced Photn Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

01 COAL, LIGNITE, AND PEAT↗

APS Science 2020 (Vol. 1)

The U.S. Department of Energy's Advanced Photon Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

25 ENERGY STORAGE↗

1000 Soils Pilot Dataset, version 8, May 2025

This record hosts data generated by the 1000 Soils Pilot. Data will be updated as more become available. Please see the most recent data upload for current data. A beta visualization tool is available for some data types at https://shinyproxy.emsl.pnnl.gov/app/1000soils. Please submit any suggestions or comments through the 'contact' tab. We are actively working to improve visualizations and value all feedback. Data completed include: Geochemistry, texture, respiration, and enzyme activities FTICR-MS organic matter chemistry Microbial biomass C and N TOC/TDN of water-extractable OM X-ray computed tomography (derived metrics available here, raw data available upon request) Metagenomes; a variety of data formats are available upon request Soil hydraulic properties Data in progress: LC-MS/MS in development, timeline TBD, inquire for status 1000S_processed_BGC_summary.csv contains all available biogeochemical data; microbial biomass C and N; and TOC/TDN of water-extractable OM; and 1000S_Tomography.xslx contains a summary of data generated via X-ray computed tomography. icr_v2_corems2.csv contains FTICR-MS data processed by CoreMS version 2. These data are merged by formula across instrument runs to enable cross-sample comparisons. Technical replicates are merged by retaining peaks present in 2 out of 3 replicates. 1000Soils_Metadata_Site_Mastersheet_v1.csv contains site information. Soil Hydraulics_corrected_02042025.xlsx contains soil hydraulics information. Readme File_v4.xlsx is the readme file. Please contact the MONet project (monet.emsl@pnnl.gov) or Emily Graham (emily.graham@pnnl.gov) with questions. The following file and all raw data are available upon request: icr_by_mass_for_single_sample_analysis_only.csv contains FTICR-MS data processed by CoreMS and is intended for usage in the calculation of biochemical transformations within samples only. These data are not acceptable for cross-sample comparison of masses because they are from multiple instrument runs. For more information, please see: https://www.emsl.pnnl.gov/monet and https://sc-data.emsl.pnnl.gov/monet Acknowledgment: Soil data were provided by the Molecular Observation Network (MONet) at the Environmental Molecular Sciences Laboratory (https://ror.org/04rc0xn13), a DOE Office of Science user facility sponsored by the Biological and Environmental Research program under Contract No. DE-AC05-76RL01830. The work (proposal: 10.46936/10.25585/60008970) conducted by the U.S. Department of Energy, Joint Genome Institute (https://ror.org/04xm1d337), a DOE Office of Science user facility, is supported by the Office of Science of the U.S. Department of Energy operated under Contract No. DE-AC02-05CH11231. The Molecular Observation Network (MONet) database is an open, FAIR, and publicly available compilation of the molecular and microstructural properties of soil. Data in the MONet open science database can be found at https://sc-data.emsl.pnnl.gov/.

biogeochemistry↗

Addressing User Needs through the Stakeholder Engagement Program

Every two years, the Satellite Needs Working Group (SNWG), an initiative of the U.S. Group on Earth Observations (USGEO), surveys federal agencies to pinpoint their satellite Earth observation needs. For each expressed need, NASA-led assessment teams coordinate with the agencies to devise solutions. Solutions can include existing or modified data products as well as the construction of new data products and technologies, such as the Harmonized Landsat Sentinel-2 (HLS) product and the Catalog of Archived Sub-Orbital Earth Science Investigations (CASEI). To facilitate adoption of new data products and technologies, the SNWG Management Office’s Stakeholder Engagement Program (SEP) was established. The program’s primary goals are to respond to training and capacity building needs expressed by agencies and to encourage engagement from stakeholders as SNWG solutions are developed. To serve these needs, SEP has developed the following: an SNWG Solutions Earthdata webpage, an SEP Earthdata webpage, and an Earthdata Search Portal for SNWG products. These avenues provide assistance to users from all backgrounds and levels of expertise as well as publicize the ongoing efforts of SNWG solutions. In addition, the SEP is also collaborating with NASA’s Short-term Prediction Research and Transition (SPoRT) Center to develop user-driven applications for SNWG products leveraging stakeholder input. This presentation will provide an overview of the SEP, highlight the resources currently available to users, and describe ongoing efforts to address the needs of users, so SNWG products can be better implemented into scientific workflows.

Jenny Wood↗

Single-Step Conversion of Ethanol to n-Butene over Ag-ZrO2/SiO2 Catalysts

Ethanol is a promising platform molecule for production of a variety of fuels and chemicals. Of particular interest is producing middle distillate fuels (i.e., jet and diesel blendstock) from renewable ethanol feedstock. State-of-the-art alcohol-to-jet technology requires multiple process steps based on catalytic dehydration of ethanol to form ethylene, followed by sometimes a multi-step oligomerization, and then hydrotreatment and distillation. Here we report on a new catalytic route in which ethanol is directly converted to n-butene (1- and 2-butene mixtures) over Ag-ZrO2/SBA-16, thus offering the potential for a reduction in the number of required processing steps versus conventional alcohol-to-jet technology. This catalyst system provides the balanced metal and Lewis acid sites required to selectively facilitate a cascading sequence of reactions that includes dehydrogenation, aldol condensation, Meerwein–Ponndorf–Verley reduction, dehydration, and hydrogenation. High conversion and selectivity toward either n-butene or 1,3-butadiene is achieved by tuning the hydrogen feed partial pressure and other process/catalyst parameters. With sufficient hydrogen partial pressure 1,3-butadiene is completely and selectively hydrogenated to form n-butene. The reaction mechanism was elucidated through operando-nuclear magnetic resonance investigations coupled with reactivity measurements. Combined experimental-computational investigation reveals how changes in silver and zirconium composition and the silver oxidation state affects reactivity under controlled hydrogen partial pressures and after prolonged run times. Finally, catalyst effectiveness also was demonstrated when using wet ethanol feed, thus highlighting process flexibility in terms of feedstock purity requirements. This work was financially supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office, and was performed at the Pacific Northwest National Laboratory (PNNL) under Contract No. DE-AC05-76RL01830 and the National Renewable Energy Laboratory under Contract No. DE-AC36- 08GO28308. Part of the work conducted by S. A. Akhade was performed under the auspices of the U.S. DOE at Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. This work was partly supported through the PNNL-WSU Distinguished Graduate Research Program for ADW. NMR and XPS experiments were performed using EMSL (grid.436923.9), a DOE Office of Science User Facility sponsored by the Office of Biological and Environmental Research

Dagle, Vanessa↗

Semiautomated, Reproducible Batch Processing of Soy

A computer-controlled apparatus processes batches of soybeans into one or more of a variety of food products, under conditions that can be chosen by the user and reproduced from batch to batch. Examples of products include soy milk, tofu, okara (an insoluble protein and fiber byproduct of soy milk), and whey. Most processing steps take place without intervention by the user. This apparatus was developed for use in research on processing of soy. It is also a prototype of other soy-processing apparatuses for research, industrial, and home use. Prior soy-processing equipment includes household devices that automatically produce soy milk but do not automatically produce tofu. The designs of prior soy-processing equipment require users to manually transfer intermediate solid soy products and to press them manually and, hence, under conditions that are not consistent from batch to batch. Prior designs do not afford choices of processing conditions: Users cannot use previously developed soy-processing equipment to investigate the effects of variations of techniques used to produce soy milk (e.g., cold grinding, hot grinding, and pre-cook blanching) and of such process parameters as cooking times and temperatures, grinding times, soaking times and temperatures, rinsing conditions, and sizes of particles generated by grinding. In contrast, the present apparatus is amenable to such investigations. The apparatus (see figure) includes a processing tank and a jacketed holding or coagulation tank. The processing tank can be capped by either of two different heads and can contain either of two different insertable mesh baskets. The first head includes a grinding blade and heating elements. The second head includes an automated press piston. One mesh basket, designated the okara basket, has oblong holes with a size equivalent to about 40 mesh [40 openings per inch (.16 openings per centimeter)]. The second mesh basket, designated the tofu basket, has holes of 70 mesh [70 openings per inch (.28 openings per centimeter)] and is used in conjunction with the press-piston head. Supporting equipment includes a soy-milk heat exchanger for maintaining selected coagulation temperatures, a filter system for separating okara from other particulate matter and from soy milk, two pumps, and various thermocouples, flowmeters, level indicators, pressure sensors, valves, tubes, and sample ports

Thoerne, Mary↗