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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 1,387 records · Page 77

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DOE OSTI2024

Nanoporous Materials Genome Center Final Technical Report

Nanoporous materials (NPMs), including zeolites/zeotypes, metal-organic frameworks (MOFs), covalent organic frameworks, polymers with intrinsic microporosity, and molecular cages, possess enormous potential in diverse areas relevant to the DOE Office of Science Basic Energy Sciences (BES) mission and objectives. The Nanoporous Materials Genome Center (NMGC) has developed exascale-ready software, computational/theoretical chemistry methods, and data-driven science approaches that enable (i) the de-novo design of functional NPMs for chemical separation and catalysis tasks of increasing complexity, (ii) the discovery of the most promising functional NPMs from databases of synthesized and hypothetical adsorbent structures and the optimization of process conditions for specific applications, and (iii) the microscopic-level understanding of the fundamental interactions underlying the function of NPMs including hierarchical architectures, composite materials, responsive frameworks that may undergo phase transitions or post-synthetic modifications, and materials containing defects, partial disorder, or interfaces. A pivotal part of the NMGC project has been a tight collaboration between leading experimental groups for synthesis and characterization of NPMs and of computational groups that allowed for iterative feedback. The NMGC project has resulted in the publication of more than 290 research and review articles including more than 60 publications in high-impact journals and more than 15 journal covers. NMGC publications have already received more than 20,000 citations (with more than 3,000 citations per year in 2021, 2022, and 2023) and contribute to an h-index of more than 72. The NMGC award has supported collaborative research involving 28 research groups and contributed to the training of more than 40 postdocs, more than 60 graduate students, and more than 20 undergraduate students with broad expertise in data-driven science approaches, computational chemistry methods, and high-performance computing, in addition to the skills to thrive in an integrated experimental and computational research environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Descriptors for thermal expansion in solids

Thermal expansion in materials can be accurately modeled with careful anharmonic phonon calculations within density functional theory. However, because of interest in controlling thermal expansion and the time consumed evaluating thermal expansion properties of candidate materials, either theoretically or experimentally, an approach to rapidly identifying materials with desirable thermal expansion properties would be of great utility. When the ionic bonding is important in a material, we show that the fraction of crystal volume occupied by ions, (based upon ionic radii), the mean bond coordination, and the deviation of bond coordination are descriptors that correlate with the room-temperature coefficient of thermal expansion for these materials found in widely accessible databases. Correlation is greatly improved by combining these descriptors in a multi-dimensional fit. This fit reinforces the physical interpretation that open space combined with low mean coordination and a variety of local bond coordinations leads to materials with lower coefficients of thermal expansion, materials with single-valued local coordination and less open space have the highest coefficients of thermal expansion.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Computational simulation of transition to turbulence through inverse modeling

The present investigation has focused on a computational methodology for the fundamental case of transition in channel flow, in which recently published experimental data are utilized both as a stimulus and as a measure of merit of the method. The research has proceeded along three avenues in parallel. The first task has consisted of the development and verification of a computer code which calculates the mean evolution of flow in a channel similar to the one employed experimentally by Blair and Anderson. An analytical test case was created for the dual purposes of code verification and of highlighting the interactions between the Reynolds stress and the mean velocity profile. This test case generated a Reynolds stress by the residue in the momentum equation which is produced by a typical analytical velocity profile. By a substitution of this Reynolds stress into the appropriate code module, the correctness of the code may be verified, along with the accuracy of the computational method. The second task pursued has involved the development of a triple layer model for the Reynolds stress profile, which was suggested and derived from experimental velocity profiles. It is demonstrated that the innermost length scale is based on the local friction velocity, the intermediate layer corresponds to the usual logarithmic law of the wall region in which the normalized Reynolds stress is approximately unity, and the outermost layer is represented by a closed mathematical form depending explicitly on the velocity profile in the wake region. The third task was comprised of scrutiny of the excellent databases developed by Blair and others, and the planning of its incorporation into the transition analysis. These extensive measurements indicate that turbulent statistics in the transition regime may be considered to alternate between laminar and fully turbulent types, the proportions of which are quantified by a measured intermittency function.

Sepri, Paavo↗

NASA NTRS1998

Recent Results of NASA's Space Environments and Effects Program

The Space Environments and Effects (SEE) Program is a multi-center multi-agency program managed by the NASA Marshall Space Flight Center. The program evolved from the Long Duration Exposure Facility (LDEF), analysis of LDEF data, and recognition of the importance of the environments and environmental effects on future space missions. It is a very comprehensive and focused approach to understanding the space environments, to define the best techniques for both flight and ground-based experimentation, to update the models which predict both the environments and the environmental effects on spacecraft, and finally to ensure that this information is properly maintained and inserted into spacecraft design programs. Formal funding of the SEE Program began initially in FY95. A NASA Research Announcement (NRA) solicited research proposals in the following categories: 1) Engineering environment definitions; 2) Environments and effects design guidelines; 3) Environments and effects assessment models and databases; and, 4) Flight/ground simulation/technology assessment data. This solicitation resulted in funding for eighteen technology development activities (TDA's). This paper will present and describe technical results rom the first set of TDA's of the SEE Program. It will also describe the second set of technology development activities which are expected to begin in January 1998. These new technology development activities will enable the SEE Program to start numerous new development activities in support of mission customer needs.

Minor, Jody L.↗

NASA NTRS2004

Effects of Angle of Attack and Velocity on Trailing Edge Noise

Trailing edge (TE) noise measurements for a NACA 63-215 airfoil model are presented, providing benchmark experimental data for a cambered airfoil. The effects of flow Mach number and angle of attack of the airfoil model with different TE bluntnesses are shown. Far-field noise spectra and directivity are obtained using a directional microphone array. Standard and diagonal removal beamforming techniques are evaluated employing tailored weighting functions for quantitatively accounting for the distributed line character of TE noise. Diagonal removal processing is used for the primary database as it successfully removes noise contaminates. Some TE noise predictions are reported to help interpret the data, with respect to flow speed, angle of attack, and TE bluntness on spectral shape and peak levels. Important findings include the validation of a TE noise directivity function for different airfoil angles of attack and the demonstration of the importance of the directivity function s convective amplification terms.

Hutcheson, Florence V.↗

NASA NTRS2006

Effects of Angle of Attack and Velocity on Trailing Edge Noise

Hutcheson, Florence V.↗

NASA NTRS2015

On the Use of Fourier Transform Infrared (FT-IR) Spectroscopy and Synthetic Calibration Spectra to Quantify Gas Concentrations in a Fischer-Tropsch Catalyst System

One possible origin of prebiotic organic material is that these compounds were formed via Fischer-Tropsch-type (FTT) reactions of carbon monoxide and hydrogen on silicate and oxide grains in the warm, inner-solar nebula. To investigate this possibility, an experimental system has been built in which the catalytic efficiency of different grain-analog materials can be tested. During such runs, the gas phase above these grain analogs is sampled using Fourier transform infrared (FT-IR) spectroscopy. To provide quantitative estimates of the concentration of these gases, a technique in which high-resolution spectra of the gases are calculated using the high-resolution transmission molecular absorption (HITRAN) database is used. Next, these spectra are processed via a method that mimics the processes giving rise to the instrumental line shape of the FT-IR spectrometer, including apodization, self-apodization, and broadening due to the finite resolution. The result is a very close match between the measured and computed spectra. This technique was tested using four major gases found in the FTT reactions: carbon monoxide, methane, carbon dioxide, and water. For the ranges typical of the FTT reactions, the carbon monoxide results were found to be accurate to within 5% and the remaining gases accurate to within 10%. These spectra can then be used to generate synthetic calibration data, allowing the rapid computation of the gas concentrations in the FTT experiments.

Infrared Spectroscopy↗

NASA NTRSDate not supplied

Summary of the NASA Semi-Span High-Lift Common Research Model Wind Tunnel Test at the QinetiQ 5-Metre Low-Speed Facility

A summary and selected results from experimental testing of the NASA 10% scale semi-span High-Lift Common Research Model (CRM-HL) at the QinetiQ 5m (5mWT) pressurized low-speed wind tunnel are presented. There were many objectives of this test, the primary being to define a set of reference configurations for dissemination and use within the CRM-HL ecosystem, one in the landing configuration and one in the takeoff configuration. A database of force, moment, pressure and surface flow visualization data was collected to support several objectives: aerodynamic sensitivity to high-lift device positioning, Reynolds number effects on configuration selection, isolation of the effects of various components of the reference configuration e.g. landing gear, nacelle, horizontal tail, etc., and limited repeatability data for uncertainty quantification assessment. Some results were compared to limited data collected at the NASA Langley Research Center 14x22 wind tunnel to assess half-model effects and facility differences. Half-model effects were further studied with use of floor blowing to change boundary layer profile and assess effects on model aerodynamics. Flow visualization data were gathered with fluorescent mini-tufts and UV oil. Finally, test time was spend working on the development of new Particle Image Velocimetry (PIV) and Model Deformation Measurement (MDM) capabilities at the 5mWT facility.

Ashley Evans↗

NASA NTRS1989

Review and assessment of the database and numerical modeling for turbine heat transfer

The objectives of the NASA Hot Section Technology (HOST) Turbine Heat Transfer subproject were to obtain a better understanding of the physics of the aerothermodynamic phenomena and to assess and improve the analytical methods used to predict the flow and heat transfer in high-temperature gas turbines. At the time the HOST project was initiated, an across-the-board improvement in turbine design technology was needed. A building-block approach was utilized and the research ranged from the study of fundamental phenomena and modeling to experiments in simulated real engine environments. Experimental research accounted for approximately 75 percent of the funding while the analytical efforts were approximately 25 percent. A healthy government/industry/university partnership, with industry providing almost half of the research, was created to advance the turbine heat transfer design technology base.

H J Gladden↗

NASA NTRS2011

ARES I Aerodynamic Testing at the NASA Langley Unitary Plan Wind Tunnel

Small-scale force and moment and pressure models based on the outer mold lines of the Ares I design analysis cycle crew launch vehicle were tested in the NASA Langley Research Center Unitary Plan Wind Tunnel from May 2006 to September 2009. The test objectives were to establish supersonic ascent aerodynamic databases and to obtain force and moment, surface pressure, and longitudinal line-load distributions for comparison to computational predictions. Test data were obtained at low through high supersonic Mach numbers for ranges of the Reynolds number, angle of attack, and roll angle. This paper focuses on (1) the sensitivity of the supersonic aerodynamic characteristics to selected protuberances, outer mold line changes, and wind tunnel boundary layer transition techniques, (2) comparisons of experimental data to computational predictions, and (3) data reproducibility. The experimental data obtained in the Unitary Plan Wind Tunnel captured the effects of evolutionary changes to the Ares I crew launch vehicle, exhibited good agreement with predictions, and displayed satisfactory within-test and tunnel-to-tunnel data reproducibility.

Erickson, Gary E.↗

DOE OSTI2018

A New Radionuclide Sorption Database for Cementitious Materials Accounting for Geochemical Evolution - 18477

Cementitious materials are being widely used as solidification/stabilisation and barrier materials for a variety of radioactive wastes, due to their favourable retention properties for metals and radionuclides. The retention properties result from mineral phases in hydrated cement that (i) possess a high density and diversity of reactive sites for the fixation of radionuclides through a variety of sorption reactions, ranging from surface adsorption to incorporation and solid-solution formation, and (ii) buffer pH in the range 10- 13, depending on composition, which tends to limit the solubility of many metal ions. A quantitative database on the solid/liquid distribution behaviour ('sorption database') of 25 elements (Ag, Am, Be, C, Ca, Cl, Cs, H, I, Mo, Nb, Ni, Np, Pa, Pb, Pd, Pu, Ra, Se, Sn, Sr, Tc, Th, U, Zr) in hydrated cement systems is established on the basis of a consistent review and re-evaluation of literature data. Effects of geochemical evolution or ageing cements on sorption/incorporation processes are explicitly evaluated and quantified. In addition to recommended values, all underlying original experimental data and key experimental information are provided, which allows users to trace the given recommendations or to develop their own set of key values. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2011

modMine: flexible access to modENCODE data

In an effort to comprehensively characterize the functional elements within the genomes of the important model organisms Drosophila melanogaster and Caenorhabditis elegans, the NHGRI model organism Encyclopaedia of DNA Elements (modENCODE) consortium has generated an enormous library of genomic data along with detailed, structured information on all aspects of the experiments. The modMine database (http:// intermine.modencode.org) described here has been built by the modENCODE Data Coordination Center to allow the broader research community to (i) search for and download data sets of interest among the thousands generated by modENCODE; (ii) access the data in an integrated form together with non-modENCODE data sets; and (iii) facilitate fine-grained analysis of the above data. The sophisticated search features are possible because of the collection of extensive experimental metadata by the consortium. Interfaces are provided to allow both biologists and bioinformaticians to exploit these rich modENCODE data sets now available via modMine.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Laboratory Measurements of n >= 3 K-shell Transition Energies of Sulfur Ions from F-like S viii to Li-like S xiv

Inner-shell transitions are ubiquitous in nonequilibrium collisionally ionized plasmas, such as supernova remnants, and in photoionized plasmas, such as outflows from active galactic nuclei and X-ray binaries. Inner-shell X-ray emission can help determine key parameters of these systems, such as ionization time, τ, and ionization parameter, ξ. Despite their importance, only theoretical inner-shell transition energies are available for many ions. To provide experimental benchmarks, we have measured the dominant n → 1 K-shell transitions of sulfur ions where n ≥ 3 from Li-like S xiv to F-like S viii using LLNL’s SuperEBIT electron beam ion trap and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify over 30 spectral features and measure their energies with uncertainties in the ∼0.1–1 eV range. We compare these results to Flexible Atomic Code (FAC) and multireference Møller–Plesset (MR-MP) calculations and find differences between theory and experiment of ∼1 eV for FAC and <0.5 eV for most MR-MP calculations. We also compare these results to two widely used atomic databases, AtomDB and CHIANTI, and find discrepancies as high as 7 eV. Furthermore, many transitions are missing from these databases despite being prominent in our data.

Atomic data benchmarking↗

NASA NTRS2003

Evaluation of Production Cross Sections of Li, Be, B in CR

Accurate evaluation of the production cross section of light elements is important for models of cosmic ray (CR) propagation, galactic chemical evolution, and cosmological studies. However, the experimental spallation cross section data are scarce and often unavailable to CR community while semi-empirical systematics are frequently wrong by a significant factor. Running sophisticated nuclear codes is not an option of choice for everyone either. We use the Los Alamos versions of the Quark-Gluon String Model code LAQGSM and the improved Cascade-Exciton Model code CEM2k together with all available data from Los Alamos Nuclear Laboratory (LANL) nuclear database to produce evaluated production cross sections of isotopes of Li, Be, and B suitable for astrophysical applications. The LAQGSM and CEM2k models have been shown to reproduce well nuclear reactions and hadronic data in the range 0.01-800 GeV/nucleon.

Moskalenko, I. V.↗

DOE OSTI2017

Seventy-Five Years of Nuclear Criticality Safety Documents--A Bibliography

A collection of nuclear criticality documents was begun in the 1970s at the University of California’s Lawrence Livermore Laboratory (now Lawrence Livermore National Laboratory). Documents in this bibliography are dated as early as 1940. The early documents described experimental work that was of vital importance to the safe use of fissile materials at nuclear reactors, the facilities for preparing or transporting nuclear fuel, or its eventual storage. The experiments were of direct value to support safe operations with fissile materials, but they were also needed for validating early physics data and calculational methods and then for validating computational methods used in criticality safety evaluations. These documents provided information for our computerized bibliographic database. The bibliography was originally intended for use by Livermore staff members but criticality safety "pioneers” encouraged us to make the database available to the broader nuclear safety community and even shared copies of their bibliographies and reports. A publication of the bibliography is being prepared and a searchable database is available on the U.S. Department of Energy’s Nuclear Criticality Safety Program’s NCSP website. The NCSP website also includes links from the bibliography to many full-text documents. The database continues to expand--the information in this paper is based on a “snapshot” of its present status. The “vintage” hardcopy document collection is preserved and is being scanned into digital format.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Seventy-five years of nuclear criticality safety documents - a bibliography

A collection of nuclear criticality documents was begun in the 1970's at the University of California's Lawrence Livermore Laboratory (now Lawrence Livermore National Laboratory). Documents in this bibliography are dated as early as 1940. The early documents described experimental work that was of vital importance to the safe use of fissile materials at nuclear reactors, the facilities for preparing or transporting nuclear fuel, or its eventual storage. The experiments were of direct value to support safe operations with fissile materials but they were also needed for validating early physics data and calculational methods and then for validating computational methods used in criticality safety evaluations. These documents provided information for our computerized bibliographic database. The bibliography was originally intended for use by Livermore staff members but criticality safety 'pioneers' encouraged us to make the database available to the broader nuclear safety community and even shared copies of their bibliographies and reports. A publication of the bibliography is being prepared and a searchable database is available on the U.S. Department of Energy's Nuclear Criticality Safety Program's NCSP web site. The NCSP web site also includes links from the bibliography to many full-text documents. The database continues to expand--the information in this paper is based on a 'snapshot' of its present status. The 'vintage' hardcopy document collection is preserved and is being scanned into digital format. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Seventy-five years of nuclear criticality safety documents - A bibliography, part II - Links to full-text documents

A collection of nuclear criticality documents was begun in the 1970's at the University of California's Lawrence Livermore Laboratory (now Lawrence Livermore National Laboratory). Documents in this bibliography are dated as early as 1940. The early documents described experimental work that was of vital importance to the safe use of fissile materials at nuclear reactors, the facilities for preparing or transporting nuclear fuel, or its eventual storage. The experiments were of direct value to support safe operations with fissile materials but they were also needed for validating early physics data and calculational methods and then for validating computational methods used in criticality safety evaluations. These documents provided information for our computerized bibliographic database which was originally published in hard-copy format. Our original 'vintage' hardcopy document collection is preserved and is being scanned into digital format. The bibliography is available online as 'LLNL Database' within the U.S. Department of Energy's Nuclear Criticality Safety Program's NCSP web site. Bibliographic information and full-text documents continue to be downloaded from online databases. The online bibliography now contains close to 23,000 records. Links are available to over 3600 full-text documents within NCSP. This capability will be demonstrated at this conference. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Efficient Synthesis of Graph Methods: a Dynamically Scheduled Architecture

RDF databases naturally map to a graph representation and employ languages, such as SPARQL, that implements queries as graph pattern matching routines. Graph methods exhibit an irregular behavior: they present unpredictable, fine-grained data accesses, and are synchronization inten- sive. Graph data structures expose large amounts of dy- namic parallelism, but are difficult to partition without gen- erating load unbalance. In this paper, we present a novel ar- chitecture to improve the synthesis of graph methods. Our design addresses the issues of these algorithms with two com- ponents: a Dynamic Task Scheduler (DTS), which reduces load unbalance and maximize resource utilization, and a Hi- erarchical Memory Interface controller (HMI), which pro- vides support for concurrent memory operations on multi- ported/multi-banked shared memories. We evaluate our ap- proach by generating the accelerators for a set of SPARQL queries from the Lehigh University Benchmark (LUBM). We first analyze the load unbalance of these queries, showing that execution time among tasks can differ even of order of magnitudes. We then synthesize the queries and com- pare the performance of the resulting accelerators against the current state of the art. Experimental results show that our solution provides a speedup over the serial implementa- tion close to the theoretical maximum and a speedup up to 3.45 over a baseline parallel implementation. We conclude our study by exploring the design space to achieve maximum memory channels utilization. The best design used at least three of the four memory channels for more than 90% of the execution time.

architecture↗