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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Working Fluid Characterization and Performance Assessment of Subcritical Organic Rankine Cycles Based on the Lee–Kesler Approach for Energy Recovery

Here, a generalized model using the Lee–Kesler approach based on the corresponding states principle is developed to assess the performance of subcritical Organic Rankine Cycles operating with different working fluids. Each fluid is characterized by five parameters: the acentric factor, critical temperature, critical pressure, molar mass, and the ideal-gas ratio of specific heats at the critical temperature. The model was developed using the compressibility factor modified version of the Benedict–Webb–Rubin equation proposed by Lee and Kesler and the enthalpy and entropy functions to calculate thermodynamic state properties. The model was validated by comparing the results calculated with the model and working fluid thermodynamic properties obtained with the CoolProp database. This comparison was conducted for 91 working fluids, obtaining a relative error below 5% for 88 out of the 91 fluids (∼97%). A generalized parametric study was conducted to determine the influence of the pinch point and each fluid parameter on the performance of Organic Rankine Cycle (ORC) systems. It was found that efficiency increases with critical temperature, ideal-gas ratio of specific heats at the critical temperature, and acentric factor, reaching up to 13%. The developed model enables the evaluation of ORC system performance for existing working fluids. It also allows the formulation and evaluation of new fluids to enhance the performance of the ORC while retrieving energy from any kind of source; and likewise, the methodology can be applied to other power generation cycles.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Development of a Data Platform for High-Temperature Gas-cooled Reactor (HTGR) Nuclear Energy University Program (NEUP) Thermal-Fluid Experiments

Since the U.S. Department of Energy (DOE)’s Office of Nuclear Energy (NE) initiated the Nuclear Energy University Program (NEUP) in 2009, a total of 30 NEUP projects focused on High-Temperature Gas-cooled Reactor (HTGR) thermal-fluid experiments were funded up to fiscal year (FY) 2021. This represents a total DOE investment of approximately $23M over the 12-year period, covering thermal fluid phenomena important to both pebble bed and prismatic HTGR designs. The NEUP projects have produced a large amount of high-quality experimental and computational data that were published in final project reports, journal articles, dissertations, and conference proceedings, but in most cases the actual data sets and supporting information such as facility and instrumentation descriptions were not publicly disseminated to the HTGR community. To the authors’ best knowledge, a data platform that organizes and summarizes these NEUP-funded projects for HTGR research does not currently exist. To improve access to this HTGR validation data and optimize the return on the significant investment made by DOE, the Advanced Reactor Technologies (ART) Gas-Cooled Reactor (GCR) program started a survey of completed and ongoing HTGR NEUP projects with the aim of developing a public-access data platform that can be used to retrieve computational fluid dynamics (CFD) and system code validation data and guide future NEUP investments. This paper summarizes the status of the current ART-GCR database, provides an overview of the NEUP-funded HTGR-related research projects from FY2009 to FY2021 and identify validation knowledge gaps still existing in HTGR thermal-fluid research.

42 ENGINEERING↗
DOE OSTI2020

RNAcentral 2021: secondary structure integration, improved sequence search and new member databases

RNAcentral is a comprehensive database of non-coding RNA (ncRNA) sequences that provides a single access point to 44 RNA resources and >18 million ncRNA sequences from a wide range of organisms and RNA types. RNAcentral now also includes secondary (2D) structure information for >13 million sequences, making RNAcentral the world’s largest RNA 2D structure database. The 2D diagrams are displayed using R2DT, a new 2D structure visualization method that uses consistent, reproducible and recognizable layouts for related RNAs. The sequence similarity search has been updated with a faster interface featuring facets for filtering search results by RNA type, organism, source database or any keyword. This sequence search tool is available as a reusable web component, and has been integrated into several RNAcentral member databases, including Rfam, miRBase and snoDB. To allow for a more fine-grained assignment of RNA types and subtypes, all RNAcentral sequences have been annotated with Sequence Ontology terms. The RNAcentral database continues to grow and provide a central data resource for the RNA community. RNAcentral is freely available at https://rnacentral.org.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Standardized multi-omics of Earth’s microbiomes reveals microbial and metabolite diversity

Despite advances in sequencing, lack of standardization makes comparisons across studies challenging and hampers insights into the structure and function of microbial communities across multiple habitats on a planetary scale. Here we present a multi-omics analysis of a diverse set of 880 microbial community samples collected for the Earth Microbiome Project. We include amplicon (16S, 18S, ITS) and shotgun metagenomic sequence data, and untargeted metabolomics data (liquid chromatography-tandem mass spectrometry and gas chromatography mass spectrometry). We used standardized protocols and analytical methods to characterize microbial communities, focusing on relationships and co-occurrences of microbially related metabolites and microbial taxa across environments, thus allowing us to explore diversity at extraordinary scale. In addition to a reference database for metagenomic and metabolomic data, we provide a framework for incorporating additional studies, enabling the expansion of existing knowledge in the form of an evolving community resource. We demonstrate the utility of this database by testing the hypothesis that every microbe and metabolite is everywhere but the environment selects. Our results show that metabolite diversity exhibits turnover and nestedness related to both microbial communities and the environment, whereas the relative abundances of microbially related metabolites vary and co-occur with specific microbial consortia in a habitat-specific manner. We additionally show the power of certain chemistry, in particular terpenoids, in distinguishing Earth’s environments (for example, terrestrial plant surfaces and soils, freshwater and marine animal stool), as well as that of certain microbes including Conexibacter woesei (terrestrial soils), Haloquadratum walsbyi (marine deposits) and Pantoea dispersa (terrestrial plant detritus). This Resource provides insight into the taxa and metabolites within microbial communities from diverse habitats across Earth, informing both microbial and chemical ecology, and provides a foundation and methods for multi-omics microbiome studies of hosts and the environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Database work for the new cross section standards evaluation

An effort is now underway to produce a new evaluation of the neutron standards. It is important to maintain experimental programs to increase the quality and extend the database for the neutron cross section standards in order to improve evaluations of them that will be used to convert cross section measurements made relative to those standards. Measurements have been made for most of the standard cross sections since the last evaluation of the standards. The improved database includes the cross sections for the H(n,n), 6Li(n,t), 10B(n,αγ), 10B(n,α), C(n,n), Au(n,γ), 235U(n,f) and 238U(n,f) standard reactions and ratios among them. The database also includes the 238U(n,γ) and 239Pu(n,f) cross sections in addition to the standard cross sections. Those data were included since there are many ratio measurements of those cross sections with the standards and absolute data are available for them.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Relative sensitivity of plastic scintillator: A comparative analysis with 60 Co gamma rays, deuterium–deuterium, and deuterium–tritium neutrons

A plastic scintillator has found extensive application in the realm of high-energy physics and national security science. Many applications in those fields often involve the simultaneous production of photons, neutrons, and charged particles, which makes the relative sensitivity information for these different radiation types important. In this study, we have adopted a multi-head detector comprised of a plastic scintillator and high gain phototubes, which provides a large dynamic range and linearity. A comparative study on the relative sensitivities of plastic scintillators was facilitated by adopting three distinct radiation calibration sources (i.e., 60 Co γ rays, DD neutrons, and DT neutrons). Neutrons from a DD source generate a comparable level of scintillation to gamma rays emitted by 60 Co (i.e., 60 Co-γ/DD-n = 0.92 ± 16%). DT neutrons induce ~3.5 times the scintillation observed with DD neutrons (i.e., DT-n/DD-n = 3.5 ± 28%). In addition, the Geant4 simulation granted us valuable insights into the relative sensitivity of the scintillator. This comparative study will provide a useful database for users in diverse applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Polarization observables 𝑇 and 𝐹 in the 𝛾⁢𝑝→𝜋 0 ⁢𝑝 reaction at CLAS

Pion photoproduction in the $\vec{γ}$$\vec{p}$ → π 0 p reaction has been measured in the FROzen Spin Target (FROST) experiment at the Thomas Jefferson National Accelerator Facility. In this experiment, circularly polarized photons with energies up to 3.082 GeV impinged on a transversely polarized frozen-spin target. Final-state protons were detected in the Continuous Electron Beam Accelerator Facility (CEBAF) Large Acceptance Spectrometer. The polarization observables T and F have been extracted for W from 1445 to 2525 MeV, of which the energy range is much broader, and the precision is better than the existing measurements in higher W ranges. The data generally agree with predictions of present partial-wave analyses but also show marked differences for higher W ranges. By incorporating the present data into the databases, the Scattering Analysis Interactive Data (SAID) fits have been improved with relatively small χ 2 and significant changes in the parameters of the (1910)1/2 + and N(2190)7/2 − have been found with the JüBo model.

particle production↗
DOE OSTI2023

FY22 CritView Status & Database Expansion [Slides]

This presentation covers Fiscal Year FY22 CritView Status & Database Expansion. This presentation Provide an update for progress and current status related to the CritView digital handbook for FY22/FY23. The lecture also covers a budget summary, FY22 highlights, CritView overview, and future work for FY23.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

Global root traits (GRooT) database

Motivation: Trait data are fundamental to the quantitative description of plant form and function. Although root traits capture key dimensions related to plant responses to changing environmental conditions and effects on ecosystem processes, they have rarely been included in large-scale comparative studies and global models. For instance, root traits remain absent from nearly all studies that define the global spectrum of plant form and function. Thus, to overcome conceptual and methodological roadblocks preventing a widespread integration of root trait data into large-scale analyses we created the Global Root Trait (GRooT) Database. GRooT provides readyto- use data by combining the expertise of root ecologists with data mobilization and curation. Specifically, we (a) determined a set of core root traits relevant to the description of plant form and function based on an assessment by experts, (b) maximized species coverage through data standardization within and among traits, and (c) implemented data quality checks. Main types of variables contained: GRooT contains 114,222 trait records on 38 continuous root traits. Spatial location and grain: Global coverage with data from arid, continental, polar, temperate and tropical biomes. Data on root traits were derived from experimental studies and field studies. Time period and grain: Data were recorded between 1911 and 2019. Major taxa and level of measurement: GRooT includes root trait data for which taxonomic information is available. Trait records vary in their taxonomic resolution, with subspecies or varieties being the highest and genera the lowest taxonomic resolution available. It contains information for 184 subspecies or varieties, 6,214 species, 1,967 genera and 254 families. Owing to variation in data sources, trait records in the database include both individual observations and mean values. Software format: GRooT includes two csv files. A GitHub repository contains the csv files and a script in R to query the database.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Energy-Community-Geo-Database

Fundamental to understanding evolving infrastructure and technology is understanding the drivers for energy communities that affect where and how infrastructure is placed and used. An Energy Community Geo Database aligned to carbon storage systems will aid stakeholders in decision making around key future infrastructure (e.g., CCS injection locations) placement while helping contextualize these analyses against past and present-day social and environmental attributes. Much of the data required to support analyses are available from authoritative, largely governmental sources, but at present are disparate and require time-consuming acquisition, integration, and upkeep for currency. The CCS-EC-GB v2.0 integrates datasets from various federal agencies and authoritative sources to aid stakeholders and decision makers of the social and environmental factors that might impact the viability of CCS and energy related project implementation. There are 5 categories in the CCS-EC-GB v2 database. Most of the layers within each category have been updated in this version. As compared to the old database, there is 1 new category in the CCS-EC-GB v2 database: infrastructure. This is an evolving project and application will be updated periodically with new datasets and information. Notes for consideration: This database/web map will be updated with additional as new data and information becomes available and has been processed, reviewed, and approved for release. Additional state and federal entity data are planned to be integrated and included in future revisions. Summary layers provided in this application are derived from proprietary layers and do not always contain key features (age, status, or TVD) and therefore might not be shown when data are queried for those features.

CCS,Carbon capture and storage,Carbon storage,U.S.↗
DOE OSTI2021

MultiPhATE2: code for functional annotation and comparison of phage genomes

To address a need for improved tools for annotation and comparative genomics of bacteriophage genomes, we developed multiPhATE2. As an extension of multiPhATE, a functional annotation code released previously, multiPhATE2 performs gene finding using multiple algorithms, compares the results of the algorithms, performs functional annotation of coding sequences, and incorporates additional search algorithms and databases to extend the search space of the original code. MultiPhATE2 performs gene matching among sets of closely related bacteriophage genomes, and uses multiprocessing to speed computations. MultiPhATE2 can be re-started at multiple points within the workflow to allow the user to examine intermediate results and adjust the subsequent computations accordingly. In addition, multiPhATE2 accommodates custom gene calls and sequence databases, again adding flexibility. MultiPhATE2 was implemented in Python 3.7 and runs as a command-line code under Linux or MAC operating systems. Full documentation is provided as a README file and a Wiki website.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Improving five-year survival prediction via multitask learning across HPV-related cancers

Oncology is a highly siloed field of research in which sub-disciplinary specialization has limited the amount of information shared between researchers of distinct cancer types. This can be attributed to legitimate differences in the physiology and carcinogenesis of cancers affecting distinct anatomical sites. However, underlying processes that are shared across seemingly disparate cancers probably affect prognosis. The objective of the current study is to investigate whether multitask learning improves 5-year survival cancer patient survival prediction by leveraging information across anatomically distinct HPV related cancers. Furthermore, data were obtained from the Surveillance, Epidemiology, and End Results (SEER) program database. The study cohort consisted of 29,768 primary cancer cases diagnosed in the United States between 2004 and 2015. Ten different cancer diagnoses were selected, all with a known association with HPV risk. In the analysis, the cancer diagnoses were categorized into three distinct topography groups of varying specificity. The most specific topography grouping consisted of 10 original cancer diagnoses differentiated by the first two digits of the ICD-O-3 topography code. The second topography grouping consisted of cancer diagnoses categorized into six distinct organ groups. Finally, the third topography grouping consisted of just two groups, head-neck cancers and ano-genital cancers. The tasks were to predict 5-year survival for patients within the different topography groups using 14 predictive features which were selected among descriptive variables available in the SEER database. The information from the predictive features was shared between tasks in three different ways, resulting in three distinct predictive models: 1) Information was not shared between patients assigned to different tasks (single task learning); 2) Information was shared between all patients, regardless of task (pooled model); 3) Only relevant information was shared between patients grouped to different tasks (multitask learning). Prediction performance was evaluated with Brier scores. All three models were evaluated against one another on each of the three distinct topography-defined tasks. The results showed that multitask classifiers achieved relative improvement for the majority of the scenarios studied compared to single task learning and pooled baseline methods. In this study, we have demonstrated that sharing information among anatomically distinct cancer types can lead to improved predictive survival models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Active learning of ternary alloy structures and energies

Abstract Machine learning models with uncertainty quantification have recently emerged as attractive tools to accelerate the navigation of catalyst design spaces in a data-efficient manner. Here, we combine active learning with a dropout graph convolutional network (dGCN) as a surrogate model to explore the complex materials space of high-entropy alloys (HEAs). We train the dGCN on the formation energies of disordered binary alloy structures in the Pd-Pt-Sn ternary alloy system and improve predictions on ternary structures by performing reduced optimization of the formation free energy, the target property that determines HEA stability, over ensembles of ternary structures constructed based on two coordinate systems: (a) a physics-informed ternary composition space, and (b) data-driven coordinates discovered by the Diffusion Maps manifold learning scheme. Both reduced optimization techniques improve predictions of the formation free energy in the ternary alloy space with a significantly reduced number of DFT calculations compared to a high-fidelity model. The physics-based scheme converges to the target property in a manner akin to a depth-first strategy, whereas the data-driven scheme appears more akin to a breadth-first approach. Both sampling schemes, coupled with our acquisition function, successfully exploit a database of DFT-calculated binary alloy structures and energies, augmented with a relatively small number of ternary alloy calculations, to identify stable ternary HEA compositions and structures. This generalized framework can be extended to incorporate more complex bulk and surface structural motifs, and the results demonstrate that significant dimensionality reduction is possible in thermodynamic sampling problems when suitable active learning schemes are employed.

Chemistry↗
DOE OSTI2023

Quantitative differentiation of benign and misfolded glaucoma-causing myocilin variants on the basis of protein thermal stability

Accurate predictions of the pathogenicity of mutations associated with genetic diseases are key to the success of precision medicine. Inherited missense mutations in the myocilin (MYOC) gene, within its olfactomedin (OLF) domain, constitute the strongest genetic link to primary open-angle glaucoma via a toxic gain of function, and thus MYOC is an attractive precision-medicine target. However, not all mutations in MYOC cause glaucoma, and common variants are expected to be neutral polymorphisms. The Genome Aggregation Database (gnomAD) lists ~100 missense variants documented within OLF, all of which are relatively rare (allele frequency <0.001%) and nearly all are of unknown pathogenicity. To distinguish disease-causing OLF variants from benign OLF variants, we first characterized the most prevalent population-based variants using a suite of cellular and biophysical assays, and identified two variants with features of aggregation-prone familial disease variants. Next, we considered all available biochemical and clinical data to demonstrate that pathogenic and benign variants can be differentiated statistically based on a single metric: the thermal stability of OLF. Our results motivate genotyping MYOC in patients for clinical monitoring of this widespread, painless and irreversible ocular disease.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Paths Forward for Nuclear Energy: Using a Nationwide Post-Stratified Hierarchical Model to Facilitate Matching of New Nuclear Technologies to Receptive Host Communities

This project was a collaboration between the University of Oklahoma (OU) and the University of Michigan (UMich). The overall objective of the project was to address a critical problem facing the siting of nuclear facilities, where there is no mechanism for incorporating public attitudes at a state and local level into decision-making. Utilizing recent advances in data modeling over local spatial scales, the research team created a state and county level map of public attitudes towards nuclear energy. Current estimates for public acceptance of nuclear technologies primarily exists on a national level, and sub-national estimates of public opinion about reactor siting, research facilities, transport routes, or storage and disposal facilities are very scarce. Model results from this project provide a systematic basis for technology developers to evaluate public acceptance across alternative siting options as a critical component for weighing potential benefit-cost tradeoffs for alternative paths to deploy new nuclear facilities. The project utilized data from the largest database of nuclear attitudes in the US, coupled with Census and elections-related data as well as data on social vulnerability and proximity to current nuclear facilities. In addition to modeling public support, the team also developed an interactive map to showcase results, using an online tool called Public and Local Attitudes about Nuclear Energy Technologies (PLANET). The tool allows technology developers and stakeholders to interact with the model results and better understand variation in support for nuclear facility siting on a state and county level. The interactive nature of the tool also allows users to analyze results in a targeted way, by comparing levels of support across different states and/or counties as desired.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

SG50 Data-format Specifications Document for the Automatically Readable, Comprehensive, and Curated Experimental Reaction Database MEDUSAL

The aim of this document is to lay out a first draft of the specifications for the MEDUSAL database (Machine-readable Experimental Data User App & Library) that is being described by OECD/NEA/WPEC SG-50. The EXFOR database (Otuka et al., 2014) has a format that is based on code-value pairs, and a significant portion of the information in the EXFOR entry is contained in free text sections. Several high-level requirements for the MEDUSAL database, as laid out in the Use Cases and Requirements Working Paper (citation), relate to the definition of the specifications

Nuclear Criticality Safety Program (NCSP)↗
DOE OSTI2024

Metabolite, annotation, and gene integration system and method

Disclosed herein are systems and methods for associating metabolites with genes. In some embodiments, after potential metabolites are identified based on spectroscopy data of the content of an organism, possible reactions capable of producing the potential metabolites are determined. The possible reactions are compared to gene sequences in a database, and an association score for the likelihood that a gene sequence is related to the potential metabolites is calculated.

Erbilgin, Onur↗