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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 343 records · Page 19

Implementation of a practical Markov chain Monte Carlo sampling algorithm in PyBioNetFit

Abstract Summary Bayesian inference in biological modeling commonly relies on Markov chain Monte Carlo (MCMC) sampling of a multidimensional and non-Gaussian posterior distribution that is not analytically tractable. Here, we present the implementation of a practical MCMC method in the open-source software package PyBioNetFit (PyBNF), which is designed to support parameterization of mathematical models for biological systems. The new MCMC method, am, incorporates an adaptive move proposal distribution. For warm starts, sampling can be initiated at a specified location in parameter space and with a multivariate Gaussian proposal distribution defined initially by a specified covariance matrix. Multiple chains can be generated in parallel using a computer cluster. We demonstrate that am can be used to successfully solve real-world Bayesian inference problems, including forecasting of new Coronavirus Disease 2019 case detection with Bayesian quantification of forecast uncertainty. Availability and implementation PyBNF version 1.1.9, the first stable release with am, is available at PyPI and can be installed using the pip package-management system on platforms that have a working installation of Python 3. PyBNF relies on libRoadRunner and BioNetGen for simulations (e.g. numerical integration of ordinary differential equations defined in SBML or BNGL files) and Dask.Distributed for task scheduling on Linux computer clusters. The Python source code can be freely downloaded/cloned from GitHub and used and modified under terms of the BSD-3 license (https://github.com/lanl/pybnf). Online documentation covering installation/usage is available (https://pybnf.readthedocs.io/en/latest/). A tutorial video is available on YouTube (https://www.youtube.com/watch?v=2aRqpqFOiS4&t=63s). Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

NASA Access Mechanism: Lessons learned document

The six-month beta test of the NASA Access Mechanism (NAM) prototype was completed on June 30, 1993. This report documents the lessons learned from the use of this Graphical User Interface to NASA databases such as the NASA STI Database, outside databases, Internet resources, and peers in the NASA R&D community. Design decisions, such as the use of XWindows software, a client-server distributed architecture, and use of the NASA Science Internet, are explained. Users' reactions to the interface and suggestions for design changes are reported, as are the changes made by the software developers based on new technology for information discovery and retrieval. The lessons learned section also reports reactions from the public, both at demonstrations and in response to articles in the trade press and journals. Recommendations are included for future versions, such as a World Wide Web (WWW) and Mosaic based interface to heterogeneous databases, and NAM-Lite, a version which allows customization to include utilities provided locally at NASA Centers.

Burdick, Lisa↗

Earth Science Data Archive and Access at the NASA/Goddard Space Flight Center Distributed Active Archive Center (DAAC)

The Goddard Distributed Active Archive Center (DAAC), as an integral part of the Earth Observing System Data and Information System (EOSDIS), is the official source of data for several important earth remote sensing missions. These include the Sea-viewing Wide-Field-of-view Sensor (SeaWiFS) launched in August 1997, the Tropical Rainfall Measuring Mission (TRMM) launched in November 1997, and the Moderate Resolution Imaging Spectroradiometer (MODIS) scheduled for launch in mid 1999 as part of the EOS AM-1 instrumentation package. The data generated from these missions supports a host of users in the hydrological, land biosphere and oceanographic research and applications communities. The volume and nature of the data present unique challenges to an Earth science data archive and distribution system such as the DAAC. The DAAC system receives, archives and distributes a large number of standard data products on a daily basis, including data files that have been reprocessed with updated calibration data or improved analytical algorithms. A World Wide Web interface is provided allowing interactive data selection and automatic data subscriptions as distribution options. The DAAC also creates customized and value-added data products, which allow additional user flexibility and reduced data volume. Another significant part of our overall mission is to provide ancillary data support services and archive support for worldwide field campaigns designed to validate the results from the various satellite-derived measurements. In addition to direct data services, accompanying documentation, WWW links to related resources, support for EOSDIS data formats, and informed response to inquiries are routinely provided to users. The current GDAAC WWW search and order system is being restructured to provide users with a simplified, hierarchical access to data. Data Browsers have been developed for several data sets to aid users in ordering data. These Browsers allow users to specify spatial, temporal, and other parameter criteria in searching for and previewing data.

Leptoukh, Gregory↗

Hanford Site Disposition Baseline for Composite Analysis

An updated version of the Hanford Site Disposition Baseline (HSDB) was prepared to document the evolution of conditions for 637 waste sites within Central Plateau of the U.S. Department of Energy’s (DOE’s) Hanford Site. The HSDB provides information that will be used to evaluate post-closure radiological dose in the updated composite analysis (CA).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA information systems commonality and convergence

Efforts to identify high payback functions performed by the Office of Space Science Applications (OSSA) data systems package existing operationally proven implementations as system building blocks and foster their use in the OSSA environment. An overview is given of the current state of OSSA data systems and the major challenges facing system developers over the next five years. Current trends in system commonality are discussed, and development is examined in the context of system design. Central system engineering approaches to solving the commonality and interoperability challenges are described. Efforts to package three diverse building blocks and to foster their reuse are documented.

Handley, Thomas H., Jr.↗

SIMBIOS Project

The purpose of this technical report is to provide current documentation of the Sensor Intercomparison and Merger for Biological and Interdisciplinary Oceanic Studies (SIMBIOS) Project activities, NASA Research Announcement (NRA) research status, satellite data processing, data product validation, and field calibration. This documentation is necessary to ensure that critical information is related to the scientific community and NASA management. This critical information includes the technical difficulties and challenges of validating and combining ocean color data from an array of independent satellite systems to form consistent and accurate global bio-optical time series products. This technical report is not meant as a substitute for scientific literature. Instead, it will provide a ready and responsive vehicle for the multitude of technical reports issued by an operational project. The SIMBIOS Science Team Principal Investigators' (PIs) original contributions to this report are in chapters four and above. The purpose of these contributions is to describe the current research status of the SIMBIOS-NRA-96 funded research. The contributions are published as submitted, with the exception of minor edits to correct obvious grammatical or clerical errors.

Fargion, Giulietta S.↗

SIMBIOS Project; 2003 Annual Report

The purpose of this technical report is to provide current documentation of the the Sensor Intercomparison and Merger for Biological and Interdisciplinary Oceanic Studies (SIMBIOS) Project activities, NASA Research Announcement (NRA) research status, satellite data processing, data product validation, and field calibration. This documentation is necessary to ensure that critical information is related to the scientific community and NASA management. This critical information includes the technical difficulties and challenges of validating and combining ocean color data from an array of independent satellite systems to form consistent and accurate global bio-optical time series products. This technical report is not meant as a substitute for scientific literature. Instead, it will provide a ready and responsive vehicle for the multitude of technical reports issued by an operational project. The SIMBIOS Science Team Principal Investigators (PIs) original contributions to this report are in chapters four and above. The purpose of these contributions is to describe the current research status of the SIMBIOS-NRA-99 funded research. The contributions are published as submitted, with the exception of minor edits to correct obvious grammatical or clerical errors.

McClain, Charles R.↗

nmrrr : A Reproducible Workflow for Binning and Visualizing NMR Spectra From Environmental Samples

Nuclear magnetic resonance (NMR) spectroscopy is a useful tool for detection and identification of molecular structural information, with increasing applications in environmental sciences. NMR instrument outputs are however heterogeneous and require extensive post-processing, creating barriers to their use and application by non-specialists. Here, we report on a new open-source R package, nmrrr, that processes and visualizes spectral data obtained from one-dimensional solution-state and solid-state NMR experiments; the package also performs relevant calculations commonly applied in natural organic matter communities, such as computing the relative abundance of various functional groups. We document the package's installation, dependencies, and functions; and provide a standard workflow for processing NMR data. This package is currently available on CRAN and GitHub, and community contributions are welcome.

54 ENVIRONMENTAL SCIENCES↗

Non-Proprietary Companion to the Q1 CY2021 PathForward Final Assessment (WBS 2.4.1, Milestone PM-HI-1040)

The PathForward element of the Exascale Computing Project (ECP) Hardware and Integration (HI) focus area has met its goals of preparing the US industry for exascale system procurements and generally improving US competitiveness in the worldwide computing market. This report is a companion to the deliverable for the ECP milestone PM-HI-1040, Assess PathForward Impact Against Exascale Hardware Challenges, which gives a summary of the final status of each PathForward project, describes progress achieved against PathForward contract milestones, and includes a final assessment of each vendor’s progress on key exascale challenges. This companion document details the results of the PathForward research to the extent possible without disclosing proprietary information and the impact on products and US exascale systems. In addition, it captures lessons learned in order to inform future projects in general and in high-performance computing in particular.

97 MATHEMATICS AND COMPUTING↗

MultiSector Dynamics: 2023 Inaugural Workshop Report

Preface The MultiSector Dynamics (MSD) Community of Practice (CoP) hosted an inaugural workshop on October 3-5, 2023 at the University of California, Davis, to bring together members of the MSD community of practice to advance understanding of the co-evolution of human and natural systems, and to build the next generation of tools that bridge sectors, scales, and systems to realize a more resilient and equitable future. The theme of the workshop was "Advancing Complex Adaptive Human-Earth Systems Science in a World of Interconnected Risks". This document outlines the motivation for the workshop, its goals and objectives, the application process, the agenda, overviews of the training sessions offered to the workshop participants and a summary of each breakout session. The MSD workshop report further discusses the feedback from workshop participants and presents some reflections and next steps. The MSD Workshop organizers thank the DOE Office of Science, Earth and Environmental System Modeling, MultiSector Dynamics program area for financial support of its activities through the Integrated Multisector Multiscale Modeling (IM3) project. For more information related to the broader DOE MultiSector Dynamics Program please see https://climatemodeling.science.energy.gov/program-area/multisector-dynamics. D.L.M. and C.M.B. acknowledge support from the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the US Department of Energy (DOE). Disclaimer This report was prepared as an account of work sponsored by an agency of the United States Government. Neither theUnited States Government nor any agency thereof, nor Battelle Memorial Institute, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, complete- ness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial products, process, or service by trade name,trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. Pacific Northwest National Laboratory operated by Battelle for the United States Department of Energy Available from:Office of Scientific and Technical Information http://www.OSTI.gov multisectordynamics.org This work is made available under the terms of the Creative Commons Attribution- NonCommercial 4.0 International (CC BY-NC 4.0) https://creativecommons.org/licenses/by-nc/4 Suggested citation: Monier, E., Reed, P.M., Vernon, C.R., Hadjimichael, A., Brelsford, C.M., Burleyson, C.B., Dyreson, A.R., Fletcher, S.M., Giang, A., Gupta, R.S., Jackson, N.D., Jones, A.D., Lamontagne, J.R., McCollum, D.L., Morris, J.F., Moss, R.H., Peng, W., Saari, R.K., Srikrishnan, V., Szinai, J.K., Yoon, J. (2024) MultiSector Dynamics: 2023 Inaugural Workshop Report. MSD-LIVE Data Repository. doi:10.57931/2371710.

Monier, Erwan↗

NASA Planetary Protection Handbook

This handbook provides guidance to mission providers and Planetary Protection (PP) practitioners on implementing PP measures for both robotic and crewed space missions. This handbook represents major updates to PP practices since a previously drafted handbook from 2010. In 2017, NASA reorganized the Office of Planetary Protection (OPP) from the Science Mission Directorate (SMD) to a Technical Authority (TA) within the Office of Safety and Mission Assurance (OSMA). With this organizational change came a complete overhaul of NASA’s PP policy and technical standards. This handbook reflects the latest NASA PP policy updates in NPR 8715.24, Planetary Protection Provisions for Robotic Extraterrestrial Missions and technical requirements of NASA-STD-8719.27, Implementing Planetary Protection Requirements for Space Flight. This handbook is a companion document to the NPR and technical standard and provides guidance, best practices, background information, and advice for practitioners to consider when implementing PP on NASA missions and NASA-partnered missions.

Nick Benardini↗

A dataset of eco-evidence tools to inform early-stage environmental impact assessments of hydropower development

The datasets described herein provide the foundation for a decision support prototype (DSP) toolkit aimed at assisting stakeholders in determining evidence of which aspects of river ecosystems have been impacted by hydropower. The DSP toolkit and its application are presented and described in the article “Evidence-based indicator approach to guide preliminary environmental impact assessments of hydropower development” [1]. Development of the DSP and the output for decision support centralize around 42 river function indicators describing the dimensionality of river ecosystems through six main categories: biota and biodiversity, water quality, hydrology, geomorphology, land cover, and river connectivity. Three main tools are represented in the DSP: A science-based questionnaire (SBQ), an environmental envelope model (EEM), and a river function linkage assessment tool (RFLAT). The SBQ is a structured survey-style questionnaire whose objective is to provide evidence of which indicators have been impacted by hydropower. Based on a global literature review, 140 questions were developed from general hypotheses regarding the impacts of dams on rivers. The EEM is a model to predict the likelihood of hydropower impacting indicators based on a several variables. The intended use of the EEM is for situations of new hydropower development where results of the SBQ are incomplete or highly uncertain. The EEM was developed through the compilation of a dataset containing attributes of dams, reservoirs, and geospatial information on environmental concerns, which was combined with data on ecological indicators documented at those sites through literature review. The model operates through 247 “envelopes” and weighting factors, representing the individual effect of each variable on each indicator, all available through spreadsheets. Finally, the RFLAT is a tool to examine causal relationships amongst indicators. Inter-indicator relationships were hypothesized based on literature review and summarized into node and edge datasets to represent the structure of a graphical network. Bayes theorem was used estimate conditional probabilities of inter-indicator relationships based on the output of the SBQ. Nodes and edges were imported into R programming environment to visualize ecological indicator networks. The datasets can be expanded upon and enriched with more detailed questions for the SBQ, building upon the EEM with to develop more sophisticated models, and identifying new relationships for the RFALT. Additionally, once the tools are applied to numerous hydropower developments, the output of the tools (e.g. evidence of impacted indicators) becomes a very useful dataset for meta-analyses of hydropower impacts.

13 HYDRO ENERGY↗

MechBERT: Language Models for Extracting Chemical and Property Relationships about Mechanical Stress and Strain

Language models are transforming materials-aware naturallanguage processing by enabling the extraction of dynamic, context-rich information from unstructured text, thus, moving beyond the limitations of traditional information-extraction methods. Moreover, small language models are on the rise because some of them can perform better than large language models (LLMs) when given domain-specific questionanswer tasks, especially about an application area that relies on a highly specialized vernacular, such as materials science. We therefore present a new class of MechBERT language models for understanding mechanical stress and strain in materials. These employ Bidirectional Encoder Representations for transformer (BERT) architectures. We showcase four MechBERT models, all of which were pretrained on a corpus of documents that are textually rich in chemicals and their stress–strain properties and were fine-tuned on question-answering tasks. We evaluated the level of performance of our models on domain-specific as well as general English-language question-answer tasks and also explored the influence of the size and type of BERT architectures on model performance. We find that our MechBERT models outperform BERT-based models of the same size and maintain relevancy better than much larger BERT-based models when tasked with domain-specific question-answering tasks within the stress–strain engineering sector. These small language models also enable much faster processing and require a much smaller fraction of data to pretrain them, affording them greater operational efficiency and energy sustainability than LLMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CMB-S4: Forecasting Constraints on Primordial Gravitational Waves

CMB-S4—the next-generation ground-based cosmic microwave background (CMB) experiment—is set to significantly advance the sensitivity of CMB measurements and enhance our understanding of the origin and evolution of the universe. Among the science cases pursued with CMB-S4, the quest for detecting primordial gravitational waves is a central driver of the experimental design. This work details the development of a forecasting framework that includes a power-spectrum-based semianalytic projection tool, targeted explicitly toward optimizing constraints on the tensor-to-scalar ratio, r, in the presence of Galactic foregrounds and gravitational lensing of the CMB. This framework is unique in its direct use of information from the achieved performance of current Stage 2–3 CMB experiments to robustly forecast the science reach of upcoming CMB-polarization endeavors. The methodology allows for rapid iteration over experimental configurations and offers a flexible way to optimize the design of future experiments, given a desired scientific goal. To form a closed-loop process, we couple this semianalytic tool with map-based validation studies, which allow for the injection of additional complexity and verification of our forecasts with several independent analysis methods. We document multiple rounds of forecasts for CMB-S4 using this process and the resulting establishment of the current reference design of the primordial gravitational-wave component of the Stage-4 experiment, optimized to achieve our science goals of detecting primordial gravitational waves for r > 0.003 at greater than 5σ, or in the absence of a detection, of reaching an upper limit of r < 0.001 at 95% CL.

79 ASTRONOMY AND ASTROPHYSICS↗

Cold and Cryogenic Curation of Lunar Volatile Samples Returned to Earth

The study of volatile compounds and volatile elements, such as H, He, C, N, O, H2O, CH4, SO2, CO, CO2, NH3, HCN, etc., are commonly used for constraining evolutionary processes on planets, satellites, and asteroids, as well as formulating models of solar system formation. For Lunar science, the recent evidence of regolith and rocks containing small amounts of OH- and/or H2O has renewed scientific interest into the study of lunar volatiles [1, 2]. Future lunar sample return missions will include the study of volatiles as a high priority. Comet particles from the Stardust mission, asteroid particles from Hayabusa, meteorites, and subsurface lunar samples all occupied subfreezing environments prior to collection. Valuable geochemical information on volatiles is often lost when these samples are allowed to reach ambient temperatures on Earth. The ability to store, document, subdivide, and transport extraterrestrial geologic samples while maintaining below freezing or cryogenic temperatures is required for the complete scientific study of such samples, as well as future samples from a wide range of solar system bodies.

Calaway, M. J.↗

The GLAS Algorithm Theoretical Basis Document for Precision Orbit Determination (POD)

The Geoscience Laser Altimeter System (GLAS) was the sole instrument for NASA's Ice, Cloud and land Elevation Satellite (ICESat) laser altimetry mission. The primary purpose of the ICESat mission was to make ice sheet elevation measurements of the polar regions. Additional goals were to measure the global distribution of clouds and aerosols and to map sea ice, land topography and vegetation. ICESat was the benchmark Earth Observing System (EOS) mission to be used to determine the mass balance of the ice sheets, as well as for providing cloud property information, especially for stratospheric clouds common over polar areas. The GLAS instrument operated from 2003 to 2009 and provided multi-year elevation data needed to determine changes in sea ice freeboard, land topography and vegetation around the globe, in addition to elevation changes of the Greenland and Antarctic ice sheets. This document describes the Precision Orbit Determination (POD) algorithm for the ICESat mission. The problem of determining an accurate ephemeris for an orbiting satellite involves estimating the position and velocity of the satellite from a sequence of observations. The ICESatGLAS elevation measurements must be very accurately geolocated, combining precise orbit information with precision pointing information. The ICESat mission POD requirement states that the position of the instrument should be determined with an accuracy of 5 and 20 cm (1-s) in radial and horizontal components, respectively, to meet the science requirements for determining elevation change.

Rim, Hyung Jin↗

Tropospheric and stratospheric wildfire smoke profiling with lidar: mass, surface area, CCN, and INP retrieval

We present retrievals of tropospheric and stratospheric height profiles of particle mass, volume, surface area, and number concentrations in the case of wildfire smoke layers as well as estimates of smoke-related cloud condensation nuclei (CCN) and ice-nucleating particle (INP) concentrations from backscatter lidar measurements on the ground and in space. Conversion factors used to convert the optical measurements into microphysical properties play a central role in the data analysis, in addition to estimates of the smoke extinction-to-backscatter ratios required to obtain smoke extinction coefficients. The set of needed conversion parameters for wildfire smoke is derived from AERONET observations of major smoke events, e.g., in western Canada in August 2017, California in September 2020, and southeastern Australia in January–February 2020 as well as from AERONET long-term observations of smoke in the Amazon region, southern Africa, and Southeast Asia. The new smoke analysis scheme is applied to CALIPSO observations of tropospheric smoke plumes over the United States in September 2020 and to ground-based lidar observation in Punta Arenas, in southern Chile, in aged Australian smoke layers in the stratosphere in January 2020. These case studies show the potential of spaceborne and ground-based lidars to document large-scale and long-lasting wildfire smoke events in detail and thus to provide valuable information for climate, cloud, and air chemistry modeling efforts performed to investigate the role of wildfire smoke in the atmospheric system.

54 ENVIRONMENTAL SCIENCES↗

From Here to There - Bird's Eye Perspective on Grant Lifecycle and Administration

“What gets measured gets done ”or “measure it to manage it”. The statements have become matter of fact. However, measurement (and even metrics) alone cannot fully communicate an organization’s story without the point of accountability. As a dynamic org, we must measure what is necessary, using the appropriate lenses to analyze the most relevant information that allows robust decision-making. A key function of Program Planning and Control (PP&C) is to assist HRP in the development of such strategy that ensures the proper execution of program research goals. With introspection of the Technical Officer role as defined by 2 CFR(i.e., Part 200, Part 1800)and subsequent governance under the NASA Grant and Cooperative Agreement Manual (GCAM), we’ve realized an obvious disconnect among Principal Investigator’s (PI),technical communication with the elements and some of the administrative/fiduciary requirements that should run parallel to the science work. This find has introduced new program risks as evidenced through incomplete deliverables or other less-than-successful requirements through the lifecycle for work we fund. One solution the Grants Technical Officer proposes is for PP&C to share in the communication with stakeholders of grants administration much earlier in the award process in attempt to reduce programmatic risks; particularly in data, reporting and performance management. As such, the planned IWS 2022 session will focus on(plenary) topics that include (1) definition of the grant lifecycle, (2) anatomy of a grant(NF1687 the award document), and (3)performance measurement/post-award monitoring. As HH&P pursues its strategic objectives to evolve the directorate into a data rich and knowledge rich organization, it has become increasingly important to develop the multiple levels of insight across the program to ensure data and other reporting(qualitative/quantitative), alongside proper administration. And the desired outcome is to make certain HRP meets/exceeds the accountability standard that our research information is received, maintained and accessible in posterity.

Lucy D Barnes-Moten↗