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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Optimized cryogenic setup for microwave loss characterization of superconducting coaxial cables

As superconducting quantum systems scale up to enable applications like large-scale quantum computing, challenges such as fabrication yield, wiring complexity, and microwave crosstalk drive the need for high-fidelity, low-loss, modular interconnects. In recent experiments, the performance of these interconnects is often limited by cable loss, a factor that becomes even more critical as we aim for higher fidelity operations and connect increasingly coherent modules. In this talk, we present our cryogenic microwave loss characterization setup, carefully designed to minimize losses external to the coaxial cables under test. We also share results for several commercially-available superconducting cables measured with this setup and briefly discuss our ongoing efforts to develop custom coaxial cables capable of achieving state-of-the-art performance.

Vallières, André [Northwestern U.]↗
DOE OSTI2026

Optimized cryogenic setup for microwave loss characterization of superconducting coaxial cables

As superconducting quantum systems scale up to enable applications like large-scale quantum computing, challenges such as fabrication yield, wiring complexity, and microwave crosstalk drive the need for high-fidelity, low-loss, modular interconnects. In recent experiments, the performance of these interconnects is often limited by cable loss, a factor that becomes even more critical as we aim for higher fidelity operations and connect increasingly coherent modules. In this talk, we present our cryogenic microwave loss characterization setup, carefully designed to minimize losses external to the coaxial cables under test. We also share results for several commercially-available superconducting cables measured with this setup and briefly discuss our ongoing efforts to develop custom coaxial cables capable of achieving state-of-the-art performance.

Vallières, André [Northwestern U.]↗
DOE OSTI2018

The Future of Software and Computing for HEP: Pushing the Boundaries of the Possible

The nature of computing is changing. Driven by the solid state physics of CPU technology, industry is moving to multi-core systems with less memory, power, and memory bandwidth per core. The result is that the pleasantly parallel HEP event processing paradigm has to adjust to this new reality. New techniques such as machine learning and algorithms capable of exploiting vector processors, will be needed. Advances in instrumentation enabling fine-granularity high-precision measurements, have driven a data revolution. In this paper I will capture the needs, and where we are in addressing these data and compute challenges.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Improved Microbial Community Characterization of 16S rRNA via Metagenome Hybridization Capture Enrichment

Environmental microbial diversity is often investigated from a molecular perspective using 16S ribosomal RNA (rRNA) gene amplicons and shotgun metagenomics. While amplicon methods are fast, low-cost, and have curated reference databases, they can suffer from amplification bias and are limited in genomic scope. In contrast, shotgun metagenomic methods sample more genomic regions with fewer sequence acquisition biases, but are much more expensive (even with moderate sequencing depth) and computationally challenging. Here, we develop a set of 16S rRNA sequence capture baits that offer a potential middle ground with the advantages from both approaches for investigating microbial communities. These baits cover the diversity of all 16S rRNA sequences available in the Greengenes (v. 13.5) database, with no sequence having <78% sequence identity to at least one bait for all segments of 16S. The use of our baits provide comparable results to 16S amplicon libraries and shotgun metagenomic libraries when assigning taxonomic units from 16S sequences within the metagenomic reads. We demonstrate that 16S rRNA capture baits can be used on a range of microbial samples (i.e., mock communities and rodent fecal samples) to increase the proportion of 16S rRNA sequences (average > 400-fold) and decrease analysis time to obtain consistent community assessments. Furthermore, our study reveals that bioinformatic methods used to analyze sequencing data may have a greater influence on estimates of community composition than library preparation method used, likely due in part to the extent and curation of the reference databases considered. Thus, enriching existing aliquots of shotgun metagenomic libraries and obtaining modest numbers of reads from them offers an efficient orthogonal method for assessment of bacterial community composition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Validation of time-dependent shift using the pulsed sphere benchmarks

The detailed behavior of neutrons in a rapidly changing time-dependent physical system is a challenging computational physics problem, particularly when using Monte Carlo methods on heterogeneous high-performance computing architectures. A small number of algorithms and code implementations have been shown to be performant for time-independent (fixed source and k-eigenvalue) Monte Carlo, and there are existing simulation tools that successfully solve the time-dependent Monte Carlo problem on smaller computing platforms. To bridge this gap, a time-dependent version of ORNL’s Shift code has been recently developed. Shift’s history-based algorithm on CPUs, and its event-based algorithm on GPUs, have both been observed to scale well to very large numbers of processors, which motivated the extension of this code to solve time-dependent problems. The validation of this new capability requires a comparison with time-dependent neutron experiments. Lawrence Livermore National Laboratory’s (LLNL) pulsed sphere benchmark experiments were simulated in Shift to validate both the time-independent as well as new time-dependent features recently incorporated into Shift. A suite of pulsed-sphere models was simulated using Shift and compared to the available experimental data and simulations with MCNP. Overall results indicate that Shift accurately simulates the pulsed sphere benchmarks, and that the new time-dependent modifications of Shift are working as intended. Validated exascale neutron transport codes are essential for a wide variety of future multiphysics applications.

Palmer, Camille J.↗
DOE OSTI2017

Collaborative Geodesign and Spatial Optimization for Fragmentation-Free Land Allocation

Demand for agricultural food production is projected to increase dramatically in the coming decades, putting at risk our clean water supply and prospects for sustainable development. Fragmentation-free land allocation (FF-LA) aims to improve returns on ecosystem services by determining both space partitioning of a study area and choice of land-use/land-cover management practice (LMP) for each partition under a budget constraint. In the context of large-scale industrialized food production, fragmentation (e.g., tiny LMP patches) discourages the use of modern farm equipment (e.g., 10- to 20-m-wide combine harvesters) and must be avoided in the allocation. FF-LA is a computationally challenging NP-hard problem. We introduce three frameworks for land allocation planning, namely collaborative geodesign, spatial optimization and a hybrid model of the two, to help stakeholders resolve the dilemma between increasing food production capacity and improving water quality. A detailed case study is carried out at the Seven Mile Creek watershed in the midwestern US. The results show the challenges of generating near-optimal solutions through collaborative geodesign, and the potential benefits of spatial optimization in assisting the decision-making process.

Xie, Yiqun↗
DOE OSTI2015

Longitudinal Antigenic Sequences and Sites from Intra-Host Evolution (LASSIE) identifies immune-selected HIV variants

Within-host genetic sequencing from samples collected over time provides a dynamic view of how viruses evade host immunity. Immune-driven mutations might stimulate neutralization breadth by selecting antibodies adapted to cycles of immune escape that generate within-subject epitope diversity. Comprehensive identification of immune-escape mutations is experimentally and computationally challenging. With current technology, many more viral sequences can readily be obtained than can be tested for binding and neutralization, making down-selection necessary. Typically, this is done manually, by picking variants that represent different time-points and branches on a phylogenetic tree. Such strategies are likely to miss many relevant mutations and combinations of mutations, and to be redundant for other mutations. Longitudinal Antigenic Sequences and Sites from Intrahost Evolution (LASSIE) uses transmitted founder loss to identify virus “hot-spots” under putative immune selection and chooses sequences that represent recurrent mutations in selected sites. LASSIE favors earliest sequences in which mutations arise. Here, with well-characterized longitudinal Env sequences, we confirmed selected sites were concentrated in antibody contacts and selected sequences represented diverse antigenic phenotypes. Finally, practical applications include rapidly identifying immune targets under selective pressure within a subject, selecting minimal sets of reagents for immunological assays that characterize evolving antibody responses, and for immunogens in polyvalent “cocktail” vaccines.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

LINE BROADENING AND THE SOLAR OPACITY PROBLEM

The calculation of line widths constitutes theoretical and computational challenges in the calculation of opacities of hot, dense plasmas. Opacity models use line broadening approximations that are untested at stellar interior conditions. Moreover, calculations of atomic spectra of the Sun indicate a large discrepancy in the K-shell line widths between several atomic codes and the Opacity-Project (OP). In this work, the atomic code STAR is used to study the sensitivity of solar opacities to line broadening. Variations in the solar opacity profile due to an increase of the Stark widths resulting from discrepancies with OP, are compared, in light of the solar opacity problem, with the required opacity variations of the present day Sun, as imposed by helioseismic and neutrino observations. The resulting variation profile is much larger than the discrepancy between different atomic codes, agrees qualitatively with the missing opacity profile, recovers about half of the missing opacity nearby the convection boundary, and has a little effect in the internal regions. Since it is hard to estimate quantitatively the uncertainty in the Stark widths, we show that an increase of all line widths by a factor of about ∼100 recovers quantitatively the missing opacity. These results emphasize the possibility that photoexcitation processes are not modeled properly, and more specifically, highlight the need for a better theoretical characterization of the line broadening phenomena at stellar interior conditions, and of the uncertainty due to the way it is implemented by atomic codes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

ν bhlight : Radiation GRMHD for Neutrino-driven Accretion Flows

The 2017 detection of the in-spiral and merger of two neutron stars was a landmark discovery in astrophysics. We now know that such mergers are central engines of short gamma-ray bursts and sites of r-process nucleosynthesis, where the heaviest elements in our universe are formed. In the coming years, we expect many more such mergers. Modeling such systems presents a significant computational challenge along with the observational one. To meet this challenge, we present $\nu {\mathtt{bhlight}}$, a scheme for solving general relativistic magnetohydrodynamics with energy-dependent neutrino transport in full (3 + 1) dimensions, facilitated by Monte Carlo methods. We present a suite of tests demonstrating the accuracy, efficacy, and necessity of our scheme. Here, we demonstrate the potential of our scheme by running a sample calculation in a domain of interest—the dynamics and composition of the accretion disk formed by a binary neutron star merger.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The Outer Rim Simulation: A Path to Many-core Supercomputers

Herein we describe the Outer Rim cosmological simulation, one of the largest high-resolution N-body simulations performed to date, aimed at promoting science to be carried out with large-scale structure surveys. The simulation covers a volume of (4.225 Gpc) 3 and evolves more than one trillion particles. It was executed on Mira, a BlueGene/Q system at the Argonne Leadership Computing Facility. We discuss some of the computational challenges posed by a system such as Mira, a many-core supercomputer, and how the simulation code, Hardware/Hybrid Accelerated Cosmology Code, has been designed to overcome these challenges. We have carried out a large range of analyses on the simulation data and we report on the results as well as the data products that have been generated. The full data set generated by the simulation totals more than 5 PB of data, making curation and handling of the data a large challenge in itself. The simulation results have been used to generate synthetic catalogs for large-scale structure surveys, including Dark Energy Spectroscopic Instrument and eBOSS, as well as experiments on the cosmic microwave background. A detailed catalog for the data challenges of the Large Synoptic Survey Telescope Dark Energy Science Collaboration has been created as well. We publicly release some of the Outer Rim halo catalogs, downsampled particle information, and lightcone data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Capturing the interactions between ice sheets, sea level and the solid Earth on a range of timescales: a new “time window” algorithm

Retreat and advance of ice sheets perturb the gravitational field, solid surface and rotation of the Earth, leading to spatially variable sea-level changes over a range of timescales $\textit{O}$ (10 0–6 years), which in turn feed back onto ice-sheet dynamics. Coupled ice-sheet–sea-level models have been developed to capture the interactive processes between ice sheets, sea level and the solid Earth, but it is computationally challenging to capture short-term interactions $\textit{O}$ (10 0–2 years) precisely within longer $\textit{O}$ (10 3–6 years) simulations. The standard forward sea-level modelling algorithm assigns a uniform temporal resolution in the sea-level model, causing a quadratic increase in total CPU time with the total number of input ice history steps, which increases with either the length or temporal resolution of the simulation. In this study, we introduce a new “time window” algorithm for 1D pseudo-spectral sea-level models based on the normal mode method that enables users to define the temporal resolution at which the ice loading history is captured during different time intervals before the current simulation time. Utilizing the time window, we assign a fine temporal resolution $\textit{O}$ (10 0–2 years) for the period of ongoing and recent history of surface ice and ocean loading changes and a coarser temporal resolution $\textit{O}$ (10 3–6 years) for earlier periods in the simulation. This reduces the total CPU time and memory required per model time step while maintaining the precision of the model results. We explore the sensitivity of sea-level model results to the model temporal resolution and show how this sensitivity feeds back onto ice-sheet dynamics in coupled modelling. We apply the new algorithm to simulate sea-level changes in response to global ice-sheet evolution over two glacial cycles and the rapid collapse of marine sectors of the West Antarctic Ice Sheet in the coming centuries and provide appropriate time window profiles for each application. The time window algorithm reduces the total CPU time by ~ 50 % in each of these examples and changes the trend of the total CPU time increase from quadratic to linear. This improvement would increase with longer simulations than those considered here. Our algorithm also allows for coupling time intervals of annual temporal scale for coupled ice-sheet–sea-level modelling of regions such as West Antarctica that are characterized by rapid solid Earth response to ice changes due to the thin lithosphere and low mantle viscosities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Applying corrective machine learning in the E3SM atmosphere model in C++ (EAMxx)

The Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) is the newest addition to the family of earth system models capable of explicitly resolving convective systems. SCREAM is a kilometer-scale configuration of the advanced E3SM Atmosphere Model (EAMxx), designed for heterogeneous computing architectures. While the enhanced accuracy of kilometer-scale modeling offers significant benefits, it comes with a substantial computational cost, limiting feasible simulation durations to only a few years to a few decades, even on the fastest supercomputers. Machine learning presents an opportunity for scientists to achieve the high accuracy of storm-resolving models at a significantly reduced cost. Building on the previous success of applying corrective machine learning (ML) to the FV3GFS earth system model, this study explores the effects of implementing corrective-ML in EAMxx-SCREAM. We also address the computational challenges of integrating our implementation of corrective-ML, which is written in Python, with the C++/Kokkos EAMxx driver, as well as potential reasons why this approach has not proved as effective for EAMxx-SCREAM as for FV3GFS.

Environmental sciences↗
DOE OSTI2024

Measuring Impact: Evaluating Thermal Zoning Simplification on Energy Efficiency Measures Analysis

Building Energy Modeling (BEM) is a versatile tool for designing, retrofitting, ensuring code compliance, obtaining certifications, qualifying for incentives, and enabling real-time building control. However, capturing all the details of building geometry for thermal zoning can be time-consuming, costly, and sometimes computationally challenging. As a result, modelers have been applying zoning simplification based on factors such as space functions and internal loads, as well as relying on their experience and judgment while adhering to zoning rules outlined in industry standards. Despite the prevalence of this common practice, a notable gap exists in the literature regarding studies quantifying the influence of simplified thermal zoning on the evaluation of Energy Efficiency Measures (EEMs). Recognizing this gap, this paper seeks to contribute to the field by enhancing the understanding of how the simplification of thermal zoning influences the evaluation of EEMs against a baseline design. The study utilized a medium office prototype model with a detailed floor plan featuring over 20 zones per floor covering diverse functional spaces with varying internal loads and occupancy schedules. A standard thermal zoning strategy outlined in ASHRAE Standard 90.1 Appendix G was employed as the simplified zoning method. This strategy condenses the zoning into a core zone and four perimeter zones per floor. It was compared with the detailed zoning approach, which involves one zone per space. Common Energy EEMs, such as enhanced envelope, high-efficiency appliances and equipment, and HVAC controls, were individually implemented and evaluated. The results indicate that the performance comparison between the two zoning methods varies depending on the type of measures considered. Basic measures, such as adding wall insulation, demonstrate similar energy impacts, while advanced HVAC control measures, such as static pressure reset, exhibit a more substantial difference that cannot be overlooked.

Xie, Jiarong↗
DOE OSTI2024

Predicting metabolic modules in incomplete bacterial genomes with MetaPathPredict

The reconstruction of complete microbial metabolic pathways using ‘omics data from environmental samples remains challenging. Computational pipelines for pathway reconstruction that utilize machine learning methods to predict the presence or absence of KEGG modules in incomplete genomes are lacking. Here, we present MetaPathPredict, a software tool that incorporates machine learning models to predict the presence of complete KEGG modules within bacterial genomic datasets. Using gene annotation data and information from the KEGG module database, MetaPathPredict employs deep learning models to predict the presence of KEGG modules in a genome. MetaPathPredict can be used as a command line tool or as a Python module, and both options are designed to be run locally or on a compute cluster. Benchmarks show that MetaPathPredict makes robust predictions of KEGG module presence within highly incomplete genomes.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1987

Robust statistical methods for automated outlier detection

The computational challenge of automating outlier, or blunder point, detection in radio metric data requires the use of nonstandard statistical methods because the outliers have a deleterious effect on standard least squares methods. The particular nonstandard methods most applicable to the task are the robust statistical techniques that have undergone intense development since the 1960s. These new methods are by design more resistant to the effects of outliers than standard methods. Because the topic may be unfamiliar, a brief introduction to the philosophy and methods of robust statistics is presented. Then the application of these methods to the automated outlier detection problem is detailed for some specific examples encountered in practice.

Jee, J. R.↗
NASA NTRS1989

Analysis of selected data from the triservice missile data base

An extremely large, systematic, axisymmetric-body/tail-fin data base has been gathered through tests of an innovative missile model design which is described herein. These data were originally obtained for incorporation into a missile aerodynamics code based on engineering methods (Program MISSILE3), but these data are also valuable as diagnostic test cases for developing computational methods because of the individual-fin data included in the data base. Detailed analyses of four sample cases from these data are presented to illustrate interesting individual-fin force and moment trends. These samples quantitatively show how bow shock, fin orientation, fin deflection, and body vortices can produce strong, unusual, and computationally challenging effects on individual fin loads. Flow-visualization photographs are examined to provide physical insight into the cause of these effects.

Allen, Jerry M.↗
NASA NTRS1992

Multidisciplinary computational aerosciences

By combining CFD with the computational state-of-the-art in structural mechanics, propulsion, aeroacoustics, electromagnetics, etc., multidisciplinary computational aerosciences (MCAS) poses a formidable computational challenge requiring the use of massively parallel machines. Research efforts must accordingly be directed to three areas: (1) parallel architectures, (2) systems software, and (3) applications software; attention is presently given to the last of these, in view of developments at NASA-Ames in solution methodology, physical modeling, and multidisciplinary validation experiments.

Kutler, P.↗
NASA NTRS1995

Collection Efficiency and Ice Accretion Calculations for a Sphere, a Swept MS(1)-317 Wing, a Swept NACA-0012 Wing Tip, an Axisymmetric Inlet, and a Boeing 737-300

Collection efficiency and ice accretion calculations have been made for a sphere, a swept MS(1)-317 wing, a swept NACA-0012 wing tip, an axisymmetric inlet, and a Boeing 737-300 inlet using the NPARC flow solver and the NASA Lewis LEWICE3D grid based ice accretion code. Euler flow solutions for the geometries were generated using the NPARC flow solver. The LEWICE3D grid based ice accretion program was used to calculate the impingement efficiencies and ice shapes. Ice shapes specifying rime and mixed icing conditions were generated for a 30 minute hold condition. All calculations were performed on an SGI Model Power Challenge Computer. The results have been compared to experimental flow and impingement data. In general, the calculated flow and collection efficiencies compared well with experiment, and the ice shapes looked reasonable and appeared representative of the rime and mixed icing conditions for which they were calculated.

Bidwell, Colin S.↗