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At least 469 records · Page 26

Transfer Tube Material Properties Obtained from Test Data

A series of tension and compression tests were performed on typical transfer tubes made of 304L corrosion-resistant steel. The results were compiled and converted to true stress and true plastic strain for comparison to numerical models. The parameters of a Johnson-Cook constitutive model and fracture criterion were calibrated to mimic the test data. Comparisons were made between the converted data and the empirical formulas in the Johnson-Cook model. Simulations were performed to evaluate the implementation of the formula in finite element analysis, and the parameters were adjusted to improve the correlation.

36 MATERIALS SCIENCE↗

A Full-Stack Exploration of Language-Based Parallelism in Fortran 2023

This poster explores native parallel features in Fortran 2023 through the lens of supporting applications with libraries, compilers, and parallel runtimes. The language revision informally named Fortran 2008 introduced parallelism in the form of Single Program Multiple Data (SPMD) execution with two broad feature sets: (1) loop-level parallelism via do concurrent and (2) a Partitioned Global Address Space (PGAS) comprised of distributed “coarray” data structures. Fortran’s native parallelism has demonstrated high performance [1] and reduced the burden of inserting what sometimes amounts to more directives than code. Several compilers support both feature sets, typically by translating do concurrent into serial do loops annotated by parallel directives and by translating SPMD/PGAS features into direct calls to a communication library. Our research focuses primarily on two questions: (1) can the compiler’s parallel runtime library be developed in the language being compiled (Fortran) and (2) can we define an interface to the runtime that liberates compilers from being hardwired to one runtime and vice versa. We are answering these questions by developing the Parallel Runtime Interface for Fortran (PRIF) [2] and the Co-Array Fortran Framework of Efficient Interfaces to Network Environments (Caffeine) [3]. Caffeine is initially targeting adoption by LLVM Flang, a new open-source Fortran compiler developed by a broad community in industry, academia, and government labs. We are also exploring the use of these features in Inference-Engine, a deep learning library designed to facilitate neural network training and inference for high-performance computing applications written in modern Fortran.

Rasmussen, Katherine↗

Domain-Specific Type-Safe APIs for Hierarchical Scientific Data with Modern C++

General-purpose library application programming interfaces (APIs) for self-describing hierarchical scientific data storage, such as the HDF5 and NetCDF libraries, are traditionally of runtime nature. Runtime errors for entry existence and data types are typically caught later in the development process of higher-level application-specific APIs. In this paper, we propose exploiting modern C++ metaprogramming features to add compile-time type-safety to improve the interaction with a well-defined metadata-rich scientific schema in domain-specific hierarchical datasets. We tackle two aspects of common use: (i) direct data access, (ii) flexible “in-memory” index models for efficient search and data processing. The proposed APIs use C++17’s template type auto deduction features, C++11’s enum class for type-safety and C-style preprocessor macros for generative templated code. We showcase the pros and cons of our initial work on the standard NeXus schema used for annotating and storing experimental neutron scattering data at several facilities around the world on top of HDF5. Extendable compile-time type-safe APIs are a desirable feature that could be indexed by any modern integrated development environment (IDE). Hence, such APIs can help ease the learning curve for domain scientists using a less error-prone software interaction to enhance the findability of their data without resorting to a domain-specific language (DSL).

Godoy, William↗

A Multi-criteria CCUS Screening Evaluation of the Gulf of Mexico, USA - Supplementary Data

The Wendt et al. study aims to incorporate multiple and disparate carbon capture, utilization, and storage (CCUS) decision-making criteria into a systematic, quantitative analytical approach to help identify areas with potentially high suitability to serve as offshore CO2 storage or EOR regions. Spatially-distributed data from publicly-available sources within the Gulf of Mexico (GOM) study area (limited to federal waters; state waters were not evaluated) was compiled using the U.S. Department of Energy's (DOE) National Energy Technology Laboratory (NETL) Cumulative Spatial Impact Layers™ (CSIL) tool to easily aggregate data based on evenly-distributed grids across the study region set at a resolution of approximately 25 square miles (65 square kilometers). The data included in this Microsoft Excel™ workbook provide the aggregated scores for each grid point across the study domain as well the weighting for each criterion under the four scenarios evaluated.

CCUS↗

Measuring success for a future vision: Defining impact in science gateways/virtual research environments

Scholars worldwide leverage science gateways/virtual research environments (VREs) for a wide variety of research and education endeavors spanning diverse scientific fields. Evaluating the value of a given science gateway/VRE to its constituent community is critical in obtaining the financial and human resources necessary to sustain operations and increase adoption in the user community. In this article, we feature a variety of exemplar science gateways/VREs and detail how they define impact in terms of, for example, their purpose, operation principles, and size of user base. Further, the exemplars recognize that their science gateways/VREs will continuously evolve with technological advancements and standards in cloud computing platforms, web service architectures, data management tools and cybersecurity. We also present a number of technology advances that could be incorporated in next-generation science gateways/VREs to enhance their scope and scale of their operations for greater success/impact. The exemplars are selected from owners of science gateways in the Science Gateways Community Institute (SGCI) clientele in the United States, and from the owners of VREs in the International Virtual Research Environment Interest Group (VRE-IG) of the Research Data Alliance. Thus, community-driven best practices and technology advances are compiled from diverse expert groups with an international perspective to envisage futuristic science gateway/VRE innovations.

97 MATHEMATICS AND COMPUTING↗

Universal correlation for falling film evaporation heat transfer coefficients of water and seawater

Horizontal falling film evaporators are widely utilized in desalination industries to increase fresh water supply. However, universal correlations for seawater falling film evaporation under varied operational and geometrical conditions are simply unavailable in open literature. Thus, this study aims to develop such a universal correlation for both plain and enhanced tubes. The detailed heat transfer mechanisms are reviewed, and rational parameters are incorporated to develop the universal correlation. A dataset of 994 data points from 9 sources covering a wide range of conditions was compiled. These conditions include Reynolds numbers from 10 to 7235, heat fluxes from 7.7 to 208 kW/m -2 , saturation temperatures from 278 to 401 K, salinities from 0 to 60 gsalt kg -1 water, tube diameters from 15.8 to 50.8 mm, and liquid feeder height to diameter ratios from 1 to 2.25. Upon analysis, it was found that most of the recommended existing correlations exhibited poor predictive accuracy, as evidenced by larger MADs. The developed correlation in this study demonstrated the best predictive accuracy for the entire dataset, yielding a MAD of 16.8 % and an R 2 of 0.82. Furthermore, the performance of the new correlation was individually assessed across a broader spectrum of operational and design conditions, reflecting the individual conditions’ influences with an overall MAD of 20 %.

42 ENGINEERING↗

Circuit-Based Leakage-to-Erasure Conversion in a Neutral-Atom Quantum Processor

Atom-loss errors are a major limitation of current state-of-the-art neutral-atom quantum computers and pose a significant challenge for scalable systems. In a quantum processor with cesium atoms, we demonstrate proof-of-principle circuit-based conversion of this form of leakage error to erasure errors via leakage-detection units (LDUs), which nondestructively map information about the presence or absence of the qubit onto the state of an ancilla. We benchmark the performance of the LDU using a three-outcome low-loss state-detection method and find that the LDU detects atom-loss errors with approximately 93.4% accuracy, limited by technical imperfections of our apparatus. We further compile and execute a SWAP LDU, wherein the roles of the original data atom and ancilla atom are exchanged under the action of the LDU, providing “free refilling” of atoms in the case of atom loss. This circuit-based leakage-to-erasure error conversion is a critical component of a neutral-atom quantum processor where the quantum information may significantly outlive the lifetime of any individual atom in the quantum register. Finally, we demonstrate that LDUs may also be used to handle other forms of leakage errors where population moves to states outside of the computational subspace.

Chow, Matthew N. H. [Sandia National Laboratories ↗

Floating Offshore Wind US Manufacturing and Commercialization: Cooperative Research and Development (Final Report)

NREL assessed the supply chain and workforce considerations for the OCG-Wind floater technology, a floating semi-submersible offshore wind substructure, as well sharing vessel needs to inform their installation strategy. This technical assistance was in support of the FLoating Offshore Wind ReadINess (FLOWIN) Prize Phase 2 submission. NREL provided an assessment of domestic supplier capabilities for the main components of their floating offshore wind platform design and analyzed US regional and national supply chain constraints and gaps. Thirteen interviews with companies including steel distributors, forges, foundries, ports, large component fabricators, subcomponent fabricators, and secondary suppliers provided key insights such as 1) assembly ports are the key infrastructure barrier standing in the way of unlocking the domestic assembly and component fabrication for steel-based FOW platforms, 2) domestic steel producers can supply the types and quantities of steel necessary for FOW platforms, and 3) coordination between stakeholders will be a vital part of successfully developing the supply chain and infrastructure needed to domestically produce FOW platforms. In the workforce assessment, NREL documented a step-by-step approach to conduct a place-based assessment of the foundational workforce consideration for recruiting, upskilling, and retaining a workforce, such as supportive local and state policy, nearby education and training programs, and existing relevant industry. This approach was applied to Tacoma, Washington. Tacoma was indicated to have the potential be a successful location for fabrication and assembly of floating offshore wind energy in terms of workforce development. To share data on vessel requirements to install the OCG-Wind floater, NREL compiled resources that help answer the questions related to anchor handling tug vessels, shared a database of cable laying vessels, and answered questions on complying with the Jones Act.

17 WIND ENERGY↗

HT Model Dataset

This website contains the dataset that was used for writing the manuscript "HT Model: Using the Molecular Transformer for predicting hydrotreating reactions" (PNNL-SA-186589) The dataset includes a collection of hydrotreating reactions compiled from 41 peer-reviewed literature sources. These sources contain experimental data related to hydrotreating reactions. These reactions involve the reaction of chemical compounds with hydrogen gas in the presence of a catalyst to remove heteroatoms or to convert specific functional groups. The dataset contains reactions both with and without reaction conditions. Reaction conditions refer to the specific parameters under which the reaction takes place, such as temperature and pressure. For each reaction, the dataset includes both SMILES and SELFIES representations. SMILES (Simplified Molecular Input Line Entry System) and SELFIES (SELF-referencIng Embedded Strings) are two popular notations used to represent chemical structures in a compact and standardized format. The dataset was created with the aim of training a predictive model, specifically using the Molecular Transformer architecture.

bioprocessing, hydrotreating, deep learning algori↗

Parsnip Parser Creation Application

Parsnip has three parts. The first part is the front-end user experience. The front end will be a graphical representation of the intermediate language. Once a user is satisfied with the information on the front end, Parsnip translates the data from the visual application into the second part of Parsnip - the intermediate language. More advanced users may skip the front end and generate their own intermediate language files. The final part is the backend which takes the intermediate language files and generates Zeek and Spicy code. Parsnip will not completely replace parser developers. Many protocols have unique challenges requiring manual effort; however, the goal of Parsnip is to automate at least 90% of the development that largely consists of repetitive tasks. Parsnip output will compile a functioning parser but may not include all PDU types or parse all data.

Huddleston, TimothyA.↗

The Dark Energy Survey: Cosmology Results with ∼1500 New High-redshift Type Ia Supernovae Using the Full 5 yr Data Set

Abstract We present cosmological constraints from the sample of Type Ia supernovae (SNe Ia) discovered and measured during the full 5 yr of the Dark Energy Survey (DES) SN program. In contrast to most previous cosmological samples, in which SNe are classified based on their spectra, we classify the DES SNe using a machine learning algorithm applied to their light curves in four photometric bands. Spectroscopic redshifts are acquired from a dedicated follow-up survey of the host galaxies. After accounting for the likelihood of each SN being an SN Ia, we find 1635 DES SNe in the redshift range 0.10 < z < 1.13 that pass quality selection criteria sufficient to constrain cosmological parameters. This quintuples the number of high-quality z > 0.5 SNe compared to the previous leading compilation of Pantheon+ and results in the tightest cosmological constraints achieved by any SN data set to date. To derive cosmological constraints, we combine the DES SN data with a high-quality external low-redshift sample consisting of 194 SNe Ia spanning 0.025 < z < 0.10. Using SN data alone and including systematic uncertainties, we find Ω M = 0.352 ± 0.017 in flat ΛCDM. SN data alone now require acceleration ( q 0 < 0 in ΛCDM) with over 5 σ confidence. We find ( Ω M , w ) = ( 0.264 − 0.096 + 0.074 , − 0.80 − 0.16 + 0.14 ) in flat w CDM. For flat w 0 w a CDM, we find ( Ω M , w 0 , w a ) = ( 0.495 − 0.043 + 0.033 , − 0.36 − 0.30 + 0.36 , − 8.8 − 4.5 + 3.7 ) , consistent with a constant equation of state to within ∼2 σ . Including Planck cosmic microwave background, Sloan Digital Sky Survey baryon acoustic oscillation, and DES 3 × 2pt data gives (Ω M , w ) = (0.321 ± 0.007, −0.941 ± 0.026). In all cases, dark energy is consistent with a cosmological constant to within ∼2 σ . Systematic errors on cosmological parameters are subdominant compared to statistical errors; these results thus pave the way for future photometrically classified SN analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

Dataset for "A primer on forest structure measurement with lidar for ecologists"

This repository includes data and code accompanying the case study included in the manuscript "A primer on forest structure measurement with lidar for ecologists" (submitted to Ecosphere). We compiled lidar datasets from multiple platforms in a common area to: 1. Demonstrate how differences in sensor characteristics influence density and resolution of lidar data. 2. Provide open-source, co-located datasets for users to further inspect differences in lidar data. 3. Provide example code to perform basic lidar analysis. This case study is meant to allow readers to get hands-on experience with real-world data from different platforms. This case study is not meant to be a rigorous comparison of derived ecological metrics among all sensors; such comparisons can be found throughout other publications referenced throughout the main manuscript. Code includes basic functions in R commonly used to visualize and manipulate lidar data accessible with a normal laptop computer; more sophisticated algorithms for advanced users are also referenced throughout the main manuscript. Terrestrial laser scanning (TLS), mobile laser scanning (MLS), UAS laser scanning (ULS), airborne laser scanning (ALS), and spaceborne laser scanning (SLS) data were collected within the Smithsonian Environmental Research Center (SERC) forest dynamics plot in Maryland, USA. TLS, MLS, and ALS data were collected within 1 month of the 2021 growing season; ULS data were collected in November 2020 (“leaf-off” data) and July 2022 (“leaf-on” data).

54 ENVIRONMENTAL SCIENCES↗

Application of Point Precipitation Frequency Estimates to Watersheds

This report documents work sponsored by the U.S. Nuclear Regulatory Commission (NRC) at the Oak Ridge National Laboratory (ORNL) as part of the RES project, “Application of Point Precipitation Frequency Estimates to Watersheds.” This project was implemented as part of the Probabilistic Flood Hazard Assessment (PFHA) Research Program. The objective of the PFHA Research Program is to develop tools and guidance on the use of PFHA methods to risk-inform NRC’s licensing of new facilities as well as licensing and oversight of currently operating facilities as they relate to flooding hazards. Many nuclear power plants (NPPs) are located on or near rivers so riverine flooding hazards need to be considered in their design and operation. Probabilistic riverine flood models are important tools for realistic assessment of flooding risks. However, these models require areal estimates of the depth, duration, and frequency of rainfall distributed over the watershed, which are not often available. Point precipitation frequency estimates are more widely available. For example, the National Oceanic and Atmospheric Administration (NOAA) has published NOAA Atlas 14, which provides point precipitation frequency estimates for 5-minute through 60-day durations at average recurrence intervals of 1-year through 1,000-year. The research documented in this report addresses areal reduction factors (ARFs), which can be used to convert the widely available point precipitation frequency estimates, to estimates of areal precipitation frequency over a watershed. The most widely used ARF source is Technical Paper 29 (TP-29) published by the then U.S. Weather Bureau in 1958. However, both the methods and the underlying precipitation data used to produce TP-29 are seriously out of date. For example, due to the small gauge network available at the time of TP-29’s compilation, ARF estimates developed are only for watersheds smaller than about 400 square miles. Due to the relatively short record lengths of precipitation data available, frequency considerations could not be accurately determined. Other factors such as regional climate and seasonality were not addressed. Several newer methods have been published since TP-29 was developed and both the type and quantity of precipitation data have increased significantly, along with computational resources and analytical tools such as geographic information systems. This report reviewed and assessed the available precipitation products and methods for conducting ARF analysis. The work applied up-to-date precipitation data products and analysis methods with a novel watershed-based approach to investigate how ARF estimates vary across different methods, data sources, geographical locations, return periods, and seasons. The overall findings reported here regarding basic ARF trends are in line with other recent studies showing that ARFs decrease with increasing area, increase with increasing duration, and decrease with increasing return period. This study found significant differences among the available ARF methods. This work also found a strong geographical variability across different US hydrologic regions, suggesting that the ARF are specific to regional climate patterns and geographical characteristics and should not be applied arbitrarily to other locations. The results also reveal the importance of data record length, especially for high return level ARFs. The work reported in NUREG/CR-7271 will assist NRC staff in assessing different classes of ARF methods in conjunction with available rainfall data sets. It will also support the development of guidance for application of point precipitation data in PFHAs. It should be noted that the ARF values presented in this report for any location or region were developed for the purposes of comparing methods and investigating the factors that influence ARFs. They should not be considered official and should not be used in leu of a site-specific analysis.

54 ENVIRONMENTAL SCIENCES↗

Machine Learning of All Mycobacterium tuberculosis H37Rv RNA-seq Data Reveals a Structured Interplay between Metabolism, Stress Response, and Infection

Mycobacterium tuberculosis is one of the most consequential human bacterial pathogens, posing a serious challenge to 21st century medicine. A key feature of its pathogenicity is its ability to adapt its transcriptional response to environmental stresses through its transcriptional regulatory network (TRN). While many studies have sought to characterize specific portions of the M. tuberculosis TRN, and some studies have performed system-level analysis, few have been able to provide a network-based model of the TRN that also provides the relative shifts in transcriptional regulator activity triggered by changing environments. Here, we compiled a compendium of nearly 650 publicly available, high quality M. tuberculosis RNA-sequencing data sets and applied an unsupervised machine learning method to obtain a quantitative, top-down TRN. It consists of 80 independently modulated gene sets known as “iModulons,” 41 of which correspond to known regulons. These iModulons explain 61% of the variance in the organism’s transcriptional response. We show that iModulons (i) reveal the function of poorly characterized regulons, (ii) describe the transcriptional shifts that occur during environmental changes such as shifting carbon sources, oxidative stress, and infection events, and (iii) identify intrinsic clusters of regulons that link several important metabolic systems, including lipid, cholesterol, and sulfur metabolism. This transcriptome-wide analysis of the M. tuberculosis TRN informs future research on effective ways to study and manipulate its transcriptional regulation and presents a knowledge-enhanced database of all published high-quality RNA-seq data for this organism to date.

59 BASIC BIOLOGICAL SCIENCES↗

Efficient DNA sequence compression with neural networks

Abstract Background The increasing production of genomic data has led to an intensified need for models that can cope efficiently with the lossless compression of DNA sequences. Important applications include long-term storage and compression-based data analysis. In the literature, only a few recent articles propose the use of neural networks for DNA sequence compression. However, they fall short when compared with specific DNA compression tools, such as GeCo2. This limitation is due to the absence of models specifically designed for DNA sequences. In this work, we combine the power of neural networks with specific DNA models. For this purpose, we created GeCo3, a new genomic sequence compressor that uses neural networks for mixing multiple context and substitution-tolerant context models. Findings We benchmark GeCo3 as a reference-free DNA compressor in 5 datasets, including a balanced and comprehensive dataset of DNA sequences, the Y-chromosome and human mitogenome, 2 compilations of archaeal and virus genomes, 4 whole genomes, and 2 collections of FASTQ data of a human virome and ancient DNA. GeCo3 achieves a solid improvement in compression over the previous version (GeCo2) of $2.4\%$, $7.1\%$, $6.1\%$, $5.8\%$, and $6.0\%$, respectively. To test its performance as a reference-based DNA compressor, we benchmark GeCo3 in 4 datasets constituted by the pairwise compression of the chromosomes of the genomes of several primates. GeCo3 improves the compression in $12.4\%$, $11.7\%$, $10.8\%$, and $10.1\%$ over the state of the art. The cost of this compression improvement is some additional computational time (1.7–3 times slower than GeCo2). The RAM use is constant, and the tool scales efficiently, independently of the sequence size. Overall, these values outperform the state of the art. Conclusions GeCo3 is a genomic sequence compressor with a neural network mixing approach that provides additional gains over top specific genomic compressors. The proposed mixing method is portable, requiring only the probabilities of the models as inputs, providing easy adaptation to other data compressors or compression-based data analysis tools. GeCo3 is released under GPLv3 and is available for free download at https://github.com/cobilab/geco3.

Silva, Milton↗

A Random Forest Approach to Identifying Young Stellar Object Candidates in the Lupus Star-forming Region

The identification and characterization of stellar members within a star-forming region are critical to many aspects of star formation, including formalization of the initial mass function, circumstellar disk evolution, and star formation history. Previous surveys of the Lupus star-forming region have identified members through infrared excess and accretion signatures. We use machine learning to identify new candidate members of Lupus based on surveys from two space-based observatories: ESA’s Gaia and NASA’s Spitzer. Astrometric measurements from Gaia's Data Release 2 and astrometric and photometric data from the Infrared Array Camera on the Spitzer Space Telescope, as well as from other surveys, are compiled into a catalog for the random forest (RF) classifier. The RF classifiers are tested to find the best features, membership list, non-membership identification scheme, imputation method, training set class weighting, and method of dealing with class imbalance within the data. We list 27 candidate members of the Lupus star-forming region for spectroscopic follow-up. Most of the candidates lie in Clouds V and VI, where only one confirmed member of Lupus was previously known. These clouds likely represent a slightly older population of star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluation of LLVM Flang for Production HPC Applications and Modern Fortran Features

In 2025, LLVM released its first Flang Fortran compiler version considered ready for widespread evaluation. We know of no published assessment of Flang compiling a workload- derived portfolio of high-performance computing (HPC) applications. We address this gap using workload data from the National Energy Research Scientific Computing Center (NERSC), which supports more than 10,000 scientists on approximately 1,000 projects. The NERSC workload analyses identify many Fortran components in heavily used applications. We selected 10 such packages with available source code. We compiled them with Flang 22.1.3 on NERSC’s Perlmutter system. Six compiled without code modifications, though some required build-system changes. Three compiled after minor source edits, mostly to address Fortran standard violations. One built only without OpenMP enabled. We evaluated seven additional packages selected for their use of, or enablement of, standard Fortran parallel features: multi-image execution and do concurrent. Six such codes compiled with most or all unit tests passing.

Rasmussen, Katherine↗

Reconstructing the Universe: Testing the Mutual Consistency of the Pantheon and SDSS/eBOSS BAO Data Sets with Gaussian Processes

We test the mutual consistency between the baryon acoustic oscillation measurements from the eBOSS SDSS final release and the Pantheon supernova compilation in a model-independent fashion using Gaussian process regression. We also test their joint consistency with the ΛCDM model in a model-independent fashion. We also use Gaussian process regression to reconstruct the expansion history that is preferred by these two data sets. While this methodology finds no significant preference for model flexibility beyond ΛCDM, we are able to generate a number of reconstructed expansion histories that fit the data better than the best-fit ΛCDM model. These example expansion histories may point the way toward modifications to ΛCDM. We also constrain the parameters Ω{sub k} and H {sub 0} r {sub d} both with ΛCDM and with Gaussian process regression. We find that H {sub 0} r {sub d} = 10,030 ± 130 km s{sup −1} and Ω{sub k} = 0.05 ± 0.10 for ΛCDM and that H {sub 0} r {sub d} = 10,040 ± 140 km s{sup −1} and Ω{sub k} = 0.02 ± 0.20 for the Gaussian process case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗