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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 91 records · Page 5

Performance of the Dot Product Function in Radiative Transfer Code SORD

The successive orders of scattering radiative transfer (RT) codes frequently call the scalar (dot) product function. In this paper, we study performance of some implementations of the dot product in the RT code SORD using 50 scenarios for light scattering in the atmosphere-surface system. In the dot product function, we use the unrolled loops technique with different unrolling factor. We also considered the intrinsic Fortran functions. We show results for two machines: ifort compiler under Windows, and pgf90 under Linux. Intrinsic DOT_PRODUCT function showed best performance for the ifort. For the pgf90, the dot product implemented with unrolling factor 4 was the fastest. The RT code SORD together with the interface that runs all the mentioned tests are publicly available from ftp:maiac.gsfc.nasa.govpubskorkinSORD_IP_16B (current release) or by email request from the corresponding (first) author.

polarized radiative transfer↗

Tripal, a community update after 10 years of supporting open source, standards-based genetic, genomic and breeding databases

Abstract Online, open access databases for biological knowledge serve as central repositories for research communities to store, find and analyze integrated, multi-disciplinary datasets. With increasing volumes, complexity and the need to integrate genomic, transcriptomic, metabolomic, proteomic, phenomic and environmental data, community databases face tremendous challenges in ongoing maintenance, expansion and upgrades. A common infrastructure framework using community standards shared by many databases can reduce development burden, provide interoperability, ensure use of common standards and support long-term sustainability. Tripal is a mature, open source platform built to meet this need. With ongoing improvement since its first release in 2009, Tripal provides full functionality for searching, browsing, loading and curating numerous types of data and is a primary technology powering at least 31 publicly available databases spanning plants, animals and human data, primarily storing genomics, genetics and breeding data. Tripal software development is managed by a shared, inclusive governance structure including both project management and advisory teams. Here, we report on the most important and innovative aspects of Tripal after 11 years development, including integration of diverse types of biological data, successful collaborative projects across member databases, and support for implementing FAIR principles.

59 BASIC BIOLOGICAL SCIENCES↗

Validation of the Public Radiation Exposure Calculation for the Incident at the National Institute of Standards and Technology Center for Neutron Research on February 3, 2021

The Department of Energy/National Nuclear Security Administration Consequence Management Program was contacted by the Health Physics Chief of the National Institute of Standards and Technology Center for Neutron Research (NCNR) to review public radiation exposure calculations for an event that occurred on its Gaithersburg, Maryland, campus on February 3, 2021. Subject matter experts from the Nuclear Emergency Support Team (NEST) assets, specifically the Consequence Management Home Team (CMHT) and the National Atmospheric Release Advisory Center (NARAC), were selected to provide support. CMHT used three separate modeling codes to validate the results the scientists at NCNR calculated using the HotSpot model. The analyses were performed using NARAC’s in-house Lagrangian dispersion codes known as LODI and Aeolus, as well as the Turbo FRMAC software from Sandia National Laboratories. The team used parameters provided by the NCNR scientists regarding the site, applicable observable meteorological data, and environmental survey and sampling data to estimate public exposure. Each model estimated public dose at much less than 0.5 mrem. CMHT concurs with the NCNR public radiation exposure calculations which state that members of the public at the 400-meter boundary would have received a radiological dose of less than 0.5 mrem.

61 RADIATION PROTECTION AND DOSIMETRY↗

Invertible Design Manifolds for Heat Transfer Surfaces (INVERT) (Final Technical Report)

This final report briefly reviews the main technical accomplishments of the INVERT award, summarizes existing or planned publications or transitions from the effort, and lastly reviews T2M strategies resulting from the program. Specifically, under the award, our team studied three main technical areas and performed one preliminary T2M study on the cost-benefit analysis of Inverse Design Methods and one major software release (the Maryland Inverse Design Benchmark Suite).

97 MATHEMATICS AND COMPUTING↗

New Features in the SPOC Pipeline Release 4.0

The Science Processing Operations Center is in the process of testing and deploying Release 4.0 of the codebase in the March 2019 timeframe. This paper describes the new features of the software and their likely impact on the quality of the TESS science data products. The major goals of Release 4.0 are to improve the extraction of photometry from the pixels in light of the non-uniform pointing performance and the identification of instrumental signatures from the light curves. We also describe modifications to the FFI pipeline to allow the generation of FFI light curves, correction of the instrumental systematics therein, and planet searches, primarily for the purpose of validating the 2-min pipeline against the FFI pipeline, but also to be able to provide cotrending basis vectors (CBVs) derived directly from the FFIs to the public to aid them in their extraction and correction of photometry. We also discuss the improvements in photometric performance of the pipeline and its various components.The lapse in funding experienced between 22 December 2018 and 27 January 2019 significantly delayed our ability to conduct integration testing as planned for late December/early January, delaying the start of V&V by one month to the end of February 2019.The TESS Mission is funded by NASA's Science Mission Directorate as an Astrophysics Explorer Mission.The Science Processing Operations Center is in the process of testing and deplo!"ing Release 4.0 of thecodebase In the March 2019 tlmeframe. This paper describes the new features or the software and theirlikely impact on the quality of the TESS science data products. The major goals or Release 4.0 are to Imtheidentification of instrumental signatures from the light cuNes. We also describe modifications tothe FFI pipeline to allow the generation of FFI light curves, correction of the instrumental systematicstherein, and planet searches, primarily for the purpose of validating the 2-min pipelineagainst the FFI pipeline, but also to be able to provide cotrending basis vectors (C3Vs) ,,.~,.;.derived directly from the FFls to the public to aid them in their extractbn and correction , :-; ~'-'\'.'.of photometry. We also discuss the Improvements In photometric performance• of ~~\":;:•the pipeline and its various components. :,;.-.;The lapse In funding experienced between 22 December 2018 and 27January 2019 significantly delayed our ability to conduct Integrationtesting as planned for late December/early January, delaying thestart of V&V by one month to the end of February 2019.The TESS Mission is funded by NASA's Science Mission Directorateas an Astrophysics Explorer Mission.o.iu.c...,.....~~New Features in SPOC 4.01. Use of quatemions In photometry and centroiding.2. Use of quaternions to Identify high-motion cadences and exclude same.3. Use of the TPS detections to deemphasize pathological cadences ("skyline flattenlng"I.4. Improved CAL calculations for black and smear correction.5. PA brightness metric calculation improvements (induo'e crowding in calrulation)./ • 6. Improved POC spike goodness metric.•~• 7. Improved handling of gaps and momentum duni:>S in POC.8. Improved tuning of POC., 9. Improved attitude tweak correction in PDC.10. Improvements in PDC introduced noise and correlation goodness metrics11. Using the improved spike goodness metric to minimize overlitting in the spikeremover ' • :,''l./ 12. Enable FFI processing through planet search.,,. ,• • "« ,;,,,•.~'A , 13.1 D4.V S mtreinaim-relipnoinrgts d aartcah irveetrdie tvoa Ml aAnSdT p ersistence to database 15. Improved management of jobs on the NAS Pleiadss supercomputer

Jenkins, Jon M.↗

Technology transfer at NASA - A librarian's view

The NASA programs, publications, and services promoting the transfer and utilization of aerospace technology developed by and for NASA are briefly surveyed. Topics addressed include the corporate sources of NASA technical information and its interest for corporate users of information services; the IAA and STAR abstract journals; NASA/RECON, NTIS, and the AIAA Aerospace Database; the RECON Space Commercialization file; the Computer Software Management and Information Center file; company information in the RECON database; and services to small businesses. Also discussed are the NASA publications Tech Briefs and Spinoff, the Industrial Applications Centers, NASA continuing bibliographies on management and patent abstracts (indexed using the NASA Thesaurus), the Index to NASA News Releases and Speeches, and the Aerospace Research Information Network (ARIN).

Buchan, Ronald L.↗

The MCNP ® 6 code: A decade of progress

After several years of effort involved in merging the Los Alamos National Laboratory MCNP5 and MCNPX codes, in 2013 the first production release of version 6 of the Monte Carlo N-Particle ® , or MCNP ® , code MCNP6.1 was distributed publicly. Since then, three significant releases have been issued: MCNP6.1.1beta in 2014, MCNP6.2 in 2018, and MCNP6.3 in 2023. While each release always contains new features, code enhancements, and bug fixes, each version has had a different primary focus, ranging from improved calculational efficiency to new powerful utilities and tools, to software modernization of the code base. With all that has been learned over the first decade of the MCNP6 code, continuous progress is being made toward a modernized, general-purpose Monte Carlo radiation transport code that remains a trusted resource for the global community of practitioners. This paper describes these first 10+ years of the MCNP6 code and its continually improving data libraries, and gives some insight into how the next decade is expected to unfold.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

KBase Credit Metadata Schema

As part of KBase’s commitment to promote open science, we offer users the ability to obtain a DOI (Digital Object Identifier) for their work, which can then be cited in an associated science publication. To further support the community-wide shift towards FAIR (Findable, Accessible, Interoperable, Reusable) data, KBase is expanding our data descriptors so that KBase DOIs have comprehensive citations for datasets, in addition to referencing publications or software used in the workflow. This helps encourage a culture of giving attribution for all research inputs and outputs; standard practice for literature, but still relatively new for software products or datasets. It also promotes open science by building trust that contributors get credit for their work, and accelerates knowledge discovery by supporting and incentivizing the release of data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Evaluation of Dose Coefficients Implemented in MACCS

A variety of dose conversion factor files (DCF files) have been supplied for use with the MACCS code since it was initially released. For MACCS 4.2, the MACCS DCF files have been updated to include coefficients used in the computation of acute skin doses from within the MACCS software to increase functionality and to add a pseudo-organ to represent the total effective dose equivalent (TEDE) (as defined in 10 CFR 20.1003) based on International Commission on Radiological Protection (ICRP) Publication 30. This report provides a description of how these changes have been implemented and a summary of the various DCF files supplied with MACCS 4.2. The report also provides supplemental discussions to assist the reader in understanding the technical basis for the MACCS DCFs. These supplemental discussions include a summary of basic dosimetry modeling concepts and a brief review of the Federal Guidance Reports (FGRs) upon which MACCS dose coefficients have historically been based.

97 MATHEMATICS AND COMPUTING↗

Multilevel Training of Neural Networks

MTNN is a software library for applying multilevel algorithms on training neural networks. Based on PyTorch, it is designed to be an extensible framework to enable researchers to implement multilevel training algorithms on a variety of neural network models. This release includes a culmination of preliminary work in applying the multilevel Full Approximation Scheme technique on fully connected and convolutional neural networks to solve PDE problems (pending publication submission).

Li, Ruipeng↗

Code associated with Publication “Analytic Solutions and Field-Scale Application for Verification of Coupled Thermo-Hydro-Mechanical Processes in Subsurface Fractured Media”

As part of a submitted paper, which is collection of previously published analytical solutions to coupled thermo-hydro-mechanical problems in subsurface flow and transport, we have prepared a collection of python scripts to compute and plot those analytic solutions. All code to be released implements existing methods; there are no novel algorithms nor any major innovations to existing software.

Hyman, Jeffrey↗

University Coalition for Fossil Fuel Energy Research

Following a nationwide open competition, the University Coalition for Fossil Energy Research (UCFER) was established in October 2015 through a cooperative agreement between Penn State and the Department of Energy (DOE) National Energy Technology Laboratory (NETL). Penn State lead UCFER with the objective of advancing basic and applied research for clean and low-carbon energy based on fossil fuels in support of the DOE’s mission. UCFER focused on research that improves the efficiency of production and use of fossil energy resources, while minimizing the environmental impacts and reducing greenhouse gas emissions. Penn State lead a team of nine universities (Massachusetts Institute of Technology, The Pennsylvania State University, Princeton University, Texas A&M University, University of Kentucky, University of Southern California, The University of Tulsa, University of Wyoming, and Virginia Polytechnic and State University) during the competition stage, adding seven more universities in 2017 (Carnegie Mellon University, Louisiana State University, The Ohio State University, University of North Dakota, University of Pittsburgh, University of Utah, and West Virginia University). This Coalition exhibited a wide geographical distribution across the U.S. bringing a wide variety of fossil energy expertise. This national university alliance was a major collaborative effort with NETL to address specific topics of R&D in NETL’s mission area, which involved one or more of NETL’s five core competencies (Geologic and Environmental Systems, Materials Engineering and Manufacturing, Energy Conversion Engineering, Systems Engineering and Analysis, and Computational Science and Engineering). The first five to six months of the project was the definitization stage. During this period, Penn State worked closely with NETL to finalize the Coalition organizational structure and By- Laws, prepare a statement of substantial involvement and a statement of project objectives, and develop operations and membership plans. A major component of this stage included preparing an execution plan to solicit research, evaluate proposals, recommend selected projects to NETL, and award projects. In addition, a plan was prepared to monitor projects, review projects, disseminate knowledge from research projects and develop an online system for Coalition research portfolio management. This included developing a website and several databases. The first of six rounds of solicitations started in mid-2016. Projects from the sixth solicitation started February 1, 2021, and ended January 31, 2023. Projects that were selected represented twelve technology lines. Approximately $16.6 million in funding was available for the six solicitations. Most of the funding was provided by DOE, Office of Fossil Energy (DOEFE) with the DOE Fuel Cells Technologies Office (DOE-FCTO) providing funding for a few projects. Coalition universities submitted 259 proposals in response to the solicitations, requesting approximately $67.0 million in funding, and forty-three projects were selected. However, one project withdrew after the principal investigator left the university. The management of the Coalition projects was a major activity by Penn State. Managing the Coalition projects consisted of monitoring the projects, reviewing the projects through annual technical review meetings, disseminating knowledge from the research projects, and developing an online system for Coalition research portfolio management. Penn State’s OMT monitored projects to ensure that all milestones (technical, schedule, budget) were met, expenditures were allowable, cost share (when applicable) were reported, and all technical reports were submitted. The OMT also posted the technical reports electronically on a secure members-only website for access and review by the Coalition members. Disseminating knowledge from the research projects was done through a website, newsletters, various meetings, conferences, journal articles, publicity/press releases, and project summaries that were prepared after each project was completed. Penn State kept NETL apprised of UCFER progress through quarterly reports (thirtyone were submitted by Penn State), verbal and written communications, yearly updates at the annual technical review meetings, and cost accrual reports. The UCFER project had a significant impacty. The UCFER program established the first national university alliance in fossil energy research with a major collaboration effort with DOE NETL that addressed specific topics in NETL’s research and development mission areas. It generated inter-university collaborations, which was another program interest. Twenty-two out of 259 proposals contained collaborations (≈8.5%) and three of forty-two funded projects involved inter-university collaborations (≈7.0%). The forty-two funded projects provided support at fourteen universities involving 269 personnel. Research was conducted by 106 faculty, 115 graduate and undergraduate students, forty-six research staff and post-doctoral scholars, and two visiting scholars. Students and post-doctoral scholars were also on-site at NETL through CRADAs. In addition, non-Coalition participants included six universities and sixteen companies and national laboratories. The non-Coalition participants were involved as subcontractors, providers of cost share, performed unpaid consultation and sample analysis, served as advisory board members, or were providers of samples and materials for testing. UCFER also produced visibility in that fifty-six refereed journal articles were published, fifty-seven conference papers and twenty-three posters were prepared, 190 presentations were given, eight patent applications were filed, two books/book chapters were written, and ten software codes were developed. Collaboration between NETL and the individual projects was a major requirement for all funded projects. This included NETL staff time to support collaboration, consultation, technical guidance, sample preparation and analysis, internships at NETL, on-site testing and equipment usage by Coalition participants at NETL, co-mentoring students, and coauthoring journal articles and conference papers. Collaboration was impacted by COVID-19 in that not all on-site activities could be performed. NETL personnel were coauthors on eight of the conference papers (fourteen percent of the conference papers that were prepared) and seventeen of the journal articles (thirty percent of the journal articles that were prepared). A website was developed for an online proposal solicitation and review process and to provide exposure to UCFER. A website analysis highlighted the large amount of member and general public interest in UCFER by interpreting access statistics from March 2016 through June 2023. Visitors to the site originated from many different organizations, businesses, and countries. The website provided a means to disseminate information to both the general public and the UCFER members and was successfully used for outreach activities. In addition, NETL required that RFP release, proposal submission, and proposal reviews all be performed online. Penn State successfully developed these capabilities in a secure section of the website, which were used throughout the UCFER project. It is recognized that each project had its technical successes. In addition, highlighted successes were compiled and summarized from the research projects. Information was requested from the PIs of completed projects. In addition, Penn State’s Operations Management Team reviewed subcontract reports to identify project successes. Examples of information requested from PIs included (not all-inclusive): new projects that have been funded as a result of UCFER funding; new commercial products; establishment of a new center; new patent; new software; best paper awards; highly-cited work; and graduate student successes. A total of forty-eight highlighted successes were reported.

01 COAL, LIGNITE, AND PEAT↗

Methods to Account for CAP-88 PC-Omitted Nuclides in Radioactive Air Emissions From DOE Facilities

Routine research and development activities at US Department of Energy facilities can result in the release of radioactive emissions, potentially exposing the public and the environment. Such emissions are subject to certain Clean Air Act regulations, specifically those outlined in 40 CFR Part 61, Subpart H, which are enforced by the US Environmental Protection Agency. Compliance is determined in part with a dose standard. Doses to members of the public from most US Department of Energy facility airborne emissions are modeled using CAP-88 PC software, the latest version of which contains more than 1,200 radionuclides. Radioactive effluents from US Department of Energy facilities may contain radioisotopes that are not available in CAP-88 PC, and those radioisotopes must still be evaluated to determine whether doses to members of the public are below established limits. CAP-88 PC-omitted radionuclides can be accounted for using alternate methods, including the use of surrogate radionuclides. Here, this paper elucidates the process of accounting for CAP-88 PC-omitted radionuclides by providing criteria and rationale for surrogate selection, a compilation of surrogate radionuclides used in the past by US Department of Energy facilities, a discussion of alternate methods used to account for CAP-88 PC-omitted radionuclides and a comparison of methods and impacts on receptor doses. Ultimately, this paper aims to aid in the process of surrogate selection and consequently to simplify and expedite compliance with Clean Air Act regulations.

61 RADIATION PROTECTION AND DOSIMETRY↗

DEPDOSE

DEPDOSE is an open-source computer application which combines the KDEP respiratory tract deposition software with committed equivalent dose coefficient tables from the DC_PAK internal dosimetry package. DEPDOSE allows the user to rapidly produce tables of dose coefficients to workers and members of the public inhaling a precisely defined, user-specified aerosols using the ICRP 60 series methodology. Combined with a plume dispersion modeling system such as QUIC, this makes it possible to predict radiation doses downstream from an accidental or intentional release of radioactive materials. For this work, a radioactive plume was calculated to members of the public downstream from a plausible release of radionuclides into the atmosphere.

Klumpp, John↗

pvlib python: 2023 project update

pvlib python is a community-developed, open-source software toolbox for simulating the performance of solar photovoltaic (PV) energy components and systems. It provides reference implementations of over 100 empirical and physics-based models from the peer-reviewed scientific literature, including solar position algorithms, irradiance models, thermal models, and PV electrical models. In addition to individual low-level model implementations, pvlib python provides high-level workflows that chain these models together like building blocks to form complete “weather-to-power” photovoltaic system models. It also provides functions to fetch and import a wide variety of weather datasets useful for PV modeling. pvlib python has been developed since 2013 and follows modern best practices for open-source python software, with comprehensive automated testing, standards-based packaging, and semantic versioning. Its source code is developed openly on GitHub and releases are distributed via the Python Package Index (PyPI) and the conda-forge repository. pvlib python’s source code is made freely available under the permissive BSD-3 license. Here we (the project’s core developers) present an update on pvlib python, describing capability and community development since our 2018 publication (Holmgren, Hansen, & Mikofski, 2018).

14 SOLAR ENERGY↗

Interactive, Automated Management of Icing Data

IceVal DatAssistant is software (see figure) that provides an automated, interactive solution for the management of data from research on aircraft icing. This software consists primarily of (1) a relational database component used to store ice shape and airfoil coordinates and associated data on operational and environmental test conditions and (2) a graphically oriented database access utility, used to upload, download, process, and/or display data selected by the user. The relational database component consists of a Microsoft Access 2003 database file with nine tables containing data of different types. Included in the database are the data for all publicly releasable ice tracings with complete and verifiable test conditions from experiments conducted to date in the Glenn Research Center Icing Research Tunnel. Ice shapes from computational simulations with the correspond ing conditions performed utilizing the latest version of the LEWICE ice shape prediction code are likewise included, and are linked to the equivalent experimental runs. The database access component includes ten Microsoft Visual Basic 6.0 (VB) form modules and three VB support modules. Together, these modules enable uploading, downloading, processing, and display of all data contained in the database. This component also affords the capability to perform various database maintenance functions for example, compacting the database or creating a new, fully initialized but empty database file.

Levinson, Laurie H.↗

Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation

Here, extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) in its most recent shadow potential energy version has been implemented in the semiempirical PyTorch-based software PySeQM. The implementation includes finite electronic temperatures, canonical density matrix perturbation theory, and an adaptive Krylov subspace approximation for the integration of the electronic equations of motion within the XL-BOMB approach (KSA-XL-BOMD). The PyTorch implementation leverages the use of GPU and machine learning hardware accelerators for the simulations. The new XL-BOMD formulation allows studying more challenging chemical systems with charge instabilities and low electronic energy gaps. The current public release of PySeQM continues our development of modular architecture for large-scale simulations employing semi-empirical quantum-mechanical treatment. Applied to molecular dynamics, simulation of 840 carbon atoms, one integration time step executes in 4 s on a single Nvidia RTX A6000 GPU.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗