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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Report of the 2014 Programming Models and Environments Summit

Programming models and environments play the essential roles in high performance computing of enabling the conception, design, implementation and execution of science and engineering application codes. Programmer productivity is strongly influenced by the effectiveness of our programming models and environments, as is software sustainability since our codes have lifespans measured in decades, so the advent of new computing architectures, increased concurrency, concerns for resilience, and the increasing demands for high-fidelity, multi-physics, multi-scale and data-intensive computations mean that we have new challenges to address as part of our fundamental R&D requirements. Fortunately, we also have new tools and environments that make design, prototyping and delivery of new programming models easier than ever. The combination of new and challenging requirements and new, powerful toolsets enables significant synergies for the next generation of programming models and environments R&D. This report presents the topics discussed and results from the 2014 DOE Office of Science Advanced Scientific Computing Research (ASCR) Programming Models & Environments Summit, and subsequent discussions among the summit participants and contributors to topics in this report.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

COMAP Early Science. V. Constraints and Forecasts at z ~ 3

We present the current state of models for the z ~ 3 carbon monoxide (CO) line intensity signal targeted by the CO Mapping Array Project (COMAP) Pathfinder in the context of its early science results. Our fiducial model, relating dark matter halo properties to CO luminosities, informs parameter priors with empirical models of the galaxy–halo connection and previous CO (1–0) observations. The Pathfinder early science data spanning wavenumbers k = 0.051–0.62 Mpc –1 represent the first direct 3D constraint on the clustering component of the CO (1–0) power spectrum. Our 95% upper limit on the redshift-space clustering amplitude A clust ≲ 70 μK 2 greatly improves on the indirect upper limit of 420 μK 2 reported from the CO Power Spectrum Survey (COPSS) measurement at k ~ 1 Mpc –1 . The COMAP limit excludes a subset of models from previous literature and constrains interpretation of the COPSS results, demonstrating the complementary nature of COMAP and interferometric CO surveys. Using line bias expectations from our priors, we also constrain the squared mean line intensity–bias product, ${\left\langle {Tb}\right\rangle }_{2}$ ≲ 50 μK 2 , and the cosmic molecular gas density, ρ H2 < 2.5 × 10 8 M ⊙ Mpc –3 (95% upper limits). Based on early instrument performance and our current CO signal estimates, we forecast that the 5 yr Pathfinder campaign will detect the CO power spectrum with overall signal-to-noise ratio of 9–17. Between then and now, we also expect to detect the CO–galaxy cross-spectrum using overlapping galaxy survey data, enabling enhanced inferences of cosmic star formation and galaxy evolution history.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Blending Education and Polymer Science: Semiautomated Creation of a Thermodynamic Property Database

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The vast majority of these databases have been generated manually, through decades of labor-intensive harvesting of information from the literature, yet while there are many examples of commonly used databases, a significant number of important properties remain locked within the tables, figures, and text of publications. The question addressed in our work is whether and to what extent the process of data collection can be automated. Students of the physical sciences and engineering are often confronted with the challenge of finding and applying property data from the literature, and a central aspect of their education is to develop the critical skills needed to identify such data and discern their meaning or validity. To address shortcomings associated with automated information extraction while simultaneously preparing the next generation of scientists for their future endeavors, we developed a novel course-based approach in which students develop skills in polymer chemistry and physics and apply their knowledge by assisting with the semiautomated creation of a thermodynamic property database.

Collaborative/Cooperative Learning↗
DOE OSTI2025

DMTN-277: The Monster: A reference catalog with synthetic ugrizy-band fluxes for the Vera C. Rubin observatory

In order to facilitate bootstrap photometric calibrations of early Rubin Observatory data we have created an all sky reference catalog called The Monster. This reference catalog uses a rank-ordered set of other reference catalogs to generate synthetic ugrizy-band fluxes that can be used calibrate images processed with the LSST science pipelines. This document describes the methodology used to create The Monster, documents the input external reference catalogs, and performs basic data validation of the first version of The Monster.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Diamond sensors and polycapillary lenses for X-ray absorption spectroscopy

Diamond sensors are evaluated as incident beam monitors for X-ray absorption spectroscopy experiments. These single crystal devices pose a challenge for an energy-scanning experiment using hard X-rays due to the effect of diffraction from the crystalline sensor at energies which meet the Bragg condition. This problem is eliminated by combination with polycapillary lenses. The convergence angle of the beam exiting the lens is large compared to rocking curve widths of the diamond. A ray exiting one capillary from the lens meets the Bragg condition for any reflection at a different energy from the rays exiting adjacent capillaries. This serves to broaden each diffraction peak over a wide energy range, allowing linear measurement of incident intensity over the range of the energy scan. Extended X-ray absorption fine structure data are measured with a combination of a polycapillary lens and a diamond incident beam monitor. These data are of comparable quality to data measured without a lens and with an ionization chamber monitoring the incident beam intensity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

CROCUS Dual Polarization Ceilometer Data at Northeastern Illinois University Rooftop

This dataset is from the Department of Energy Office of Science funded project, CROCUS Urban Integrated Field Laboratory (https://crocus-urban.org/). The dual-polarization ceilometer (Vaisala CL61) is an autonomous lidar system operating at 910 nm wavelength, providing valuable measurements for understanding atmospheric boundary layer evolution, air quality, and cloud-aerosol interactions. The CL61 measures the backscattered signal intensity alternating between parallel- and cross-polarization signals. The unique depolarization measurement capability improves discrimination between different particle types, such as liquid droplets, ice crystals, and aerosols. The depolarization is highly dependent on the scatterer shape and orientation (spherical vs non-spherical particles), with the linear depolarization ratio providing a measure of dominant backscatter signal component from atmospheric particles at various heights, essentially allowing discrimination between liquid and solid particles. With its efficient optical system, CL61’s improved signal-to-noise ratio compared to traditional ceilometers allows studying detailed vertical profiles of aerosols and clouds up to 15 km height.Datasets are stored in a netCDF data format, and we we encourage users to make use of the associated toolkits available from Unidata (https://www.unidata.ucar.edu/software/netcdf/), Project Pythia (https://foundations.projectpythia.org/core/data-formats/netcdf-cf.html), and our “Instrument Cookbooks” (https://crocus-urban.github.io/instrument-cookbooks) for more information on how to process the metadata-rich datasets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Analysis of aerosol cloud interactions with a consistent signal of meteorology and other influencing parameters

Quantifying the impact of aerosols on cloud micro/macro physical properties and estimating the signature of Aerosol Cloud Interactions (ACI) is one of the challenging tasks in atmospheric sciences. The Moderate Resolution Imaging Spectroradiometer and the European Centre for Medium-Range Weather Forecasts ERA-5 reanalysis data are employed to systematically study the ACI over the monsoon region in Pakistan. Based on the monsoon occurrence and rainfall intensity, the whole region is divided into three sub-regions labeled as highly intensive (R1), moderately intensive (R2) and weak (R3) monsoon region. The results indicate that the monthly mean Aerosol Optical Depth (AOD) peaks in the summer monsoon months (Jun, Jul, Aug, Sep). Here, the well-known Twomey effect whereby the Cloud Droplet Radius (CDR) decreases with increasing AOD holds only over R3; the opposite effects (Anti-Twomey effect) are found over R1 and R2, all passing the test of statistical significance (p<0.05). The multi-year AOD is found to be positively correlated with Cloud Liquid Water Path (CLWP) and Cloud Optical Depth (COD) over R1 and R2, suggesting that thicker clouds containing more water droplets are formed in polluted atmosphere. Over R3, decreases in CLWP and COD are found with increasing AOD only when AOD is less than~0.325. The analysis of ACI over R1 and R2 during the winter months shows similar but stronger responses of CDR, CLWP and COD to the variation in AOD. The weaker responses during the summer monsoon season may attributed to the occurrence of high level cloud and unstable atmospheric condition. Further investigation of the influences of Relative Humidity and pressure vertical velocity on the CDR-AOD relationships shows that although the magnitude of the CDR-AOD correlations change with meteorological conditions, the sign of correlations remain unchanged with meteorological conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

A Novel Approach to β-delayed Neutron Spectroscopy Using the Beta-decay Paul Trap

A new approach to β-delayed neutron spectroscopy has been demonstrated that circumvents the many limitations associated with neutron detection by instead inferring the decay branching ratios and energy spectra of the emitted neutrons by studying the nuclear recoil. Using the Beta-decay Paul Trap, fission-product ions were trapped and confined to within a 1-mm{sup 3} volume under vacuum using only electric fields. Results from recent measurements of {sup 137}I{sup +} and plans for development of a dedicated ion trap for future experiments using the intense fission fragment beams from the Californium Rare Isotope Breeder Upgrade (CARIBU) facility at Argonne National Laboratory are summarized. The improved nuclear data that can be collected is needed in many fields of basic and applied science such as nuclear energy, nuclear astrophysics, and stockpile stewardship.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Template for estimating uncertainties of measured neutron-induced fission cross-sections

A template for estimating uncertainties (unc.) of measured neutron-induced fission, (n,f), cross-sections (cs) is presented. This preliminary template not only lists all expected unc. sources but also supplies ranges of unc., estimates for correlations between unc. of the same and different experiments which can be used if the information is nonexistent. If this template is applied systematically when estimating experimental covariances for an evaluation, it may help in pinpointing missing unc. for individual datasets, identifying unreasonably low unc., and estimating correlations between different experimental datasets. Thus, a detailed unc. estimate – usually, a time-intensive procedure – can be undertaken more consistently and efficiently. As an example, it is shown that unc. and correlations of 239 Pu(n,f) by Merla et al. [Proceedings of the Conference on Nuclear Data for Science and Technology 1991 Jülich (Springer-Verlag, Berlin, 1992) pp. 510–513], which are questionably low in the GMA database underlying the neutron cs standards evaluations, are distinctly larger at 14.7 MeV and more strongly correlated if this template is used for reestimating the associated covariances.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Roles of hot electrons in generating upper-hybrid waves in the earth's radiation belt

Electrostatic fluctuations near upper-hybrid frequency, which are sometimes accompanied by multiple-harmonic electron cyclotron frequency bands above and below the upper-hybrid frequency, are common occurrences in the Earth's radiation belt, as revealed through the twin Van Allen Probe spacecrafts. It is customary to use the upper-hybrid emissions for estimating the background electron density, which in turn can be used to determine the plasmapause locations, but the role of hot electrons in generating such fluctuations has not been discussed in detail. The present paper carries out detailed analyses of data from the Waves instrument, which is part of the Electric and Magnetic Field Instrument Suite and Integrated Science suite onboard the Van Allen Probes. Combined with the theoretical calculation, it is shown that the peak intensity associated with the upper-hybrid fluctuations might be predominantly determined by tenuous but hot electrons and that denser cold background electrons do not seem to contribute much to the peak intensity. This finding shows that upper-hybrid fluctuations detected during quiet time are not only useful for the determination of the background cold electron density but also contain information on the ambient hot electrons population as well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Scaling Graph Community Detection on the Tilera Many-core Architecture

In an era when power constraints and data movement are proving to be significant barriers for the application of high-end computing, the Tilera many-core architecture offers a low-power platform exhibiting many important characteristics of future systems, including a large number of simple cores, a sophisticated network-on-chip, and fine-grained control over memory and caching policies. While this emerging architecture has been previously studied for structured compute-intensive kernels, benchmarking the platform for data-bound, irregular applications present significant challenges that have remained unexplored. Community detection is an advanced prototypical graph-theoretic operation with applications in numerous scientific domains including life sciences, cyber security, and power systems. In this work, we explore multiple design strategies toward developing a scalable tool for community detection on the Tilera platform. Using several memory layout and work scheduling techniques we demonstrate speedups of up to 46x on 36 cores of the Tilera TileGX36 platform over the best serial implementation, and also show results that have comparable quality and performance to mainstream x86 platforms. To the best of our knowledge this is the first work addressing graph algorithms on the Tilera platform. This study demonstrates that through careful design space exploration, low-power many-core platforms like Tilera can be effectively exploited for graph algorithms that that embody all the essential characteristics of an irregular application.

community detection↗
DOE OSTI2016

Fission in a Plasma

A three-year theory project was undertaken to study the fission process in extreme astrophysical environments, such as the crust of neutron stars. In the first part of the project, the effect of electron screening on the fission process was explored using a microscopic approach. For the first time, these calculations were carried out to the breaking point of the nucleus. In the second part of the project, the population of the fissioning nucleus was calculated within the same microscopic framework. These types of calculations are extremely computer-intensive and have seldom been applied to heavy deformed nuclei, such as fissioning actinides. The results, tools and methodologies produced in this work will be of interest to both the basic-science and nuclear-data communities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Nonlinear Optimization Methods for Large-Scale Learning

Future advances in large-scale machine learning depend heavily on the availability of new and more powerful nonlinear optimization methods. The goal of this project is to address this challenge by designing new optimization algorithms that can deal with the scale, nonlinearity and stochasticity arising in machine learning models. Our research will provide the theoretical foundations for the new methods, and will involve intensive numerical testing on state-of-the-art machine learning systems. The project is organized into three interrelated projects that constitute a broad research agenda in the area of large-scale stochastic optimization for data science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Data Cards for Standardized Metadata Across DOE-Aligned Data Initiatives: Toward Transparent, Interoperable, and Governed Dataset Documentation

As data-intensive research, advanced computing, and artificial intelligence become increasingly central to scientific and operational workflows, the need for consistent, transparent, and machine-actionable documentation has grown correspondingly. Multiple DOE-aligned communities—including Office of Science, Genesis Mission, American Science Cloud (AmSC), National Nuclear Security Administration (NNSA) stewardship and governance, and related cross-laboratory collaborations—have independently developed metadata practices to support discovery, access, reuse, repository deposit, and compliance.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2012

Radiation modeling using the Uintah heterogeneous CPU/GPU runtime system. In: XSEDE '12 Proceedings of the 1st Conference of the Extreme Science and Engineering Discovery Environment: Bridging from the eXtreme to the campus and beyond, Article No. 4

The Uintah Computational Framework was developed to provide an environment for solving fluid-structure interaction problems on structured adaptive grids on large-scale, long-running, data-intensive problems. Uintah uses a combination of fluid-flow solvers and particle-based methods for solids, together with a novel asynchronou task-based approach with fully automated load balancing. Uintah demonstrates excellent weak and strong scalability at full machine capacity on XSEDE resources such as Ranger and Kraken, and through the use of a hybrid memory approach based on a combination of MPI and Pthreads, Uintah now runs on up to 262k cores on the DOE Jaguar system. In order to extend Uintah to heterogeneous systems, with ever-increasing CPU core counts and additional on-node GPUs, a new dynamic CPU-GPU task scheduler is designed and evaluated in this study. This new scheduler enables Uintah to fully exploit these architectures with support for asynchronous, out-of-order scheduling of both CPU and GPU computational tasks. A new runtime system has also been implemented with an added multi-stage queuing architecture for efficient scheduling of CPU and GPU tasks. This new runtime system automatically handles the details of asynchronous memory copies to and from the GPU and introduces a novel method of pre-fetching and preparing GPU memory prior to GPU task execution. In this study this new design is examined in the context of a developing, hierarchical GPU-based ray tracing radiation transport model that provides Uintah with additional capabilities for heat transfer and electromagnetic wave propagation. The capabilities of this new scheduler design are tested by running at large scale on the modern heterogeneous systems, Keeneland and TitanDev, with up to 360 and 960 GPUs respectively. On these systems, we demonstrate significant speedups per GPU against a standard CPU core for our radiation problem.

Humphrey, Alan↗
DOE OSTI2025

PSTN-056: Survey Cadence Optimization Committee's Phase 3 Recommendations

We present the final planned comprehensive recommendation for Rubin Observatory the Legacy Survey of Space and Time (LSST) survey strategy ahead of the start of LSST. This recommendation is the product of a many-years-long iterative process where community recommendations to maximize the scientific impact of LSST across domains of astrophysics were reviewed, synthesized, aggregated, and merged to define the overall plan for 10 years of LSST observations. The current recommendation builds on Phase 1 (PSTN-053) and Phase 2 recommendations (PSTN-055) and, together, they define a 10-year plan for observing. Here we answer questions left open in PSTN-055, refine additional survey details, and describe the scope of future activities of the SCOC.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Petascale Application of a Coupled CPU-GPU Algorithm for Simulation and Analysis of Multiphase Flow Solutions in Porous Medium Systems, In: 2014 IEEE 28th International Parallel and Distributed Processing Symposium

Large-scale simulation can provide a wide range of information needed to develop and validate theoretical models for multiphase flow in porous medium systems. In this paper, we consider a coupled solution in which a multiphase flow simulator is coupled to an analysis approach used to extract the interfacial geometries as the flow evolves. This has been implemented using MPI to target heterogeneous nodes equipped with GPUs. The GPUs evolve the multiphase flow solution using the lattice Boltzmann method while the CPUs compute up scaled measures of the morphology and topology of the phase distributions and their rate of evolution. Our approach is demonstrated to scale to 4,096 GPUs and 65,536 CPU cores to achieve a maximum performance of 244,754 million-lattice-node updates per second (MLUPS) in double precision execution on Titan. In turn, this approach increases the size of systems that can be considered by an order of magnitude compared with previous work and enables detailed in situ tracking of averaged flow quantities at temporal resolutions that were previously impossible. Furthermore, it virtually eliminates the need for post-processing and intensive I/O and mitigates the potential loss of data associated with node failures.

Computer Science↗