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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Development of low temperature and high magnetic field X-ray diffraction facility

The current progress of materials science regarding multifunctional materials (MFM) has put forward the challenges to understand the microscopic origin of their properties. Most of such MFMs have magneto-elastic correlations. To investigate the underlying mechanism it is therefore essential to investigate the structural properties in the presence of magnetic field. Keeping this in view low temperature and high magnetic field (LTHM) powder x-ray diffraction (XRD), a unique state-of-art facility in the country has been developed at CSR Indore. This setup works on symmetric Bragg Brentano geometry using a parallel incident x-ray beam from a rotating anode source working at 17 kW. Using this one can do structural studies at non-ambient conditions i.e. at low- temperatures (2-300 K) and high magnetic field (+8 to −8 T). The available scattering angle ranges from 5° to 115° 2θ with a resolution better than 0.1°. The proper functioning of the setup has been checked using Si sample. The effect of magnetic field on the structural properties has been demonstrated on Pr{sub 0.5}Sr{sub 0.5}MnO{sub 3} sample. Clear effect of field induced phase transition has been observed. Moreover, the effect of zero field cooled and field cooled conditions is also observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Tune compensation in nearly scaling fixed field alternating gradient accelerators

In this paper, we investigate the stability of the particle trajectories in fixed field alternating gradient accelerators (FFAs) in the presence of field errors. The emphasis is on the scaling radial sector FFA type: A collaboration work is ongoing in view of better understanding the properties of the 150 MeV scaling FFA at Kyoto University Institute for Integrated Radiation and Nuclear Science in Japan and progress toward high-intensity operation. Analysis of certain types of field imperfections revealed some interesting features that required the development of an analytical model based on the scalloping angle of the orbits. This helped explain some of the experimental results as well as generalize the concept of a scaling FFA to a nonscaling one for which the tune variations obey a well-defined law. Based on this, a compensation scheme of tune variations in imperfect scaling FFAs is presented. This is the cornerstone of a novel concept of a fixed tune FFA in which the scaling is not achieved at every azimuthal position of the ring but rather in an average sense.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

The structure of the nucleon: Elastic electromagnetic form factors

Precise proton and neutron form factor measurements at Jefferson Lab, using spin observables, have recently made a significant contribution to the unraveling of the internal structure of the nucleon. Accurate experimental measurements of the nucleon form factors are a test-bed for understanding how the nucleon's static properties and dynamical behavior emerge from QCD, the theory of the strong interactions between quarks. There has been enormous theoretical progress, since the publication of the Jefferson Lab proton form factor ratio data, aiming at reevaluating the picture of the nucleon. We will review the experimental and theoretical developments in this field and discuss the outlook for the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Developing Materials Processing to Performance Modeling Capabilities and the Need for Exascale Computing Architectures (and Beyond)

Additive Manufacturing techniques are presenting the Department of Energy and the NNSA Laboratories with new opportunities to consider novel component production and repair processes, and to manufacture materials with tailored response and optimized performance characteristics. Additive Manufacturing technologies already are being applied to primary NNSA mission areas, including Nuclear Weapons. These mission areas are adapting to these new manufacturing methods, because of potential advantages, such as smaller manufacturing footprints, reduced needs for specialized tooling, an ability to embed sensing, novel part repair options, an ability to accommodate complex geometries, and lighter weight materials. To realize the full potential of Additive Manufacturing as a game-changing technology for the NNSA’s national security missions; however, significant progress must be made in several key technical areas. In addition to advances in engineering design, process optimization and automation, and accelerated feedstock design and manufacture, significant progress must be made in modeling and simulation. First and foremost, a more mature understanding of the process-structure-property-performance relationships must be developed. Because Additive Manufacturing processes change the nature of a material’s structure below the engineering scale, new models are required to predict materials response across the spectrum of relevant length scales, from the atomistic to the continuum. New diagnostics will be required to characterize materials response across these scales. And not just models, but advanced algorithms, next-generation codes, and advanced computer architectures will be required to complement the associated modeling activities. Based on preliminary work in each of these areas, a strong argument for the need for Exascale computing architectures can be made, if a legitimate predictive capability is to be developed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress

This report summarizes the progress on modeling hydrogen diffusivity in Zr-based alloys. The presence of hydrogen (H) can detrimentally affect the mechanical properties of many metals and alloys. To mitigate these detrimental effects requires fundamental understanding of the thermodynamics and kinetics governing H pickup and hydride formation. In this work, we focus on H diffusion in Zr-based alloys by studying the effects of alloying elements and stress, factors that have been shown to strongly affect H pickup and hydride formation in nuclear fuel claddings. A recently developed accelerated kinetic Monte Carlo method is used for the study. It is found that for the alloys considered here, H diffusivity depends weakly on composition, with negligible effect at high temperatures in the range of 600-1200 K. Therefore, the small variation in compositions of these alloys is likely not a major cause of the very different H pickup rates. In contrast, stress strongly affects H diffusivity. This effect needs to be considered for studying hydride formation and delayed hydride cracking.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Thermophysical property data and safety information

Precision measurements of the properties of oxygen over a wide range of temperature and pressure are complete. The primary remaining effort, which is in progress, is the representation of these data in the most usable format such as tables, equations, diagrams, and computer programs. In addition, safety data are essential to proper design, operation, and failure analysis. All of the available information on oxygen safety is being reviewed, evaluated and indexed for quick retrieval through the NASA Aerospace Safety Research and Data Institute program. The availability of data, where the major gaps in data occur, and retrieval of bibliographic information are discussed.

Kropschot, R. H.↗
NASA NTRS1982

Interstellar molecular hydrogen

Recent progress in the detection of H2 in the interstellar medium is reviewed. The hydrogen molecule is discussed in terms of properties, and collisional excitation and dissociation rates. Molecular hydrogen formation and cooling and heating by H2 are also discussed. Ultraviolet studies provided information for the study of the formation-destruction equilibrium of H2, the kinetic temperature of the cloud, the hydrogen particle density, and the ultraviolet radiation field. Infrared observations in Orion and the planetary nebula NGC 7027 reveal two detections of vibrationally excited H2. In addition, thermal and nonthermal excitation mechanisms are discussed. Finally, it is noted that increased ultraviolet sensitivity is necessary for thorough H2 studies.

Shull, J. M.↗
NASA NTRS2012

Online Assessment of Satellite-Derived Global Precipitation Products

Precipitation is difficult to measure and predict. Each year droughts and floods cause severe property damages and human casualties around the world. Accurate measurement and forecast are important for mitigation and preparedness efforts. Significant progress has been made over the past decade in satellite precipitation product development. In particular, products' spatial and temporal resolutions as well as timely availability have been improved by blended techniques. Their resulting products are widely used in various research and applications. However biases and uncertainties are common among precipitation products and an obstacle exists in quickly gaining knowledge of product quality, biases and behavior at a local or regional scale, namely user defined areas or points of interest. Current online inter-comparison and validation services have not addressed this issue adequately. To address this issue, we have developed a prototype to inter-compare satellite derived daily products in the TRMM Online Visualization and Analysis System (TOVAS). Despite its limited functionality and datasets, users can use this tool to generate customized plots within the United States for 2005. In addition, users can download customized data for further analysis, e.g. comparing their gauge data. To meet increasing demands, we plan to increase the temporal coverage and expanded the spatial coverage from the United States to the globe. More products have been added as well. In this poster, we present two new tools: Inter-comparison of 3B42RT and 3B42 Inter-comparison of V6 and V7 TRMM L-3 monthly products The future plans include integrating IPWG (International Precipitation Working Group) Validation Algorithms/statistics, allowing users to generate customized plots and data. In addition, we will expand the current daily products to monthly and their climatology products. Whenever the TRMM science team changes their product version number, users would like to know the differences by inter-comparing both versions of TRMM products in their areas of interest. Making this service available to users will help them to better understand associated changes. We plan to implement this inter-comparison in TRMM standard monthly products with the IPWG algorithms. The plans outlined above will complement and accelerate the existing and ongoing validation activities in the community as well as enhance data services for TRMM and the future Global Precipitation Mission (GPM).

Liu, Zhong↗
NASA NTRS2012

Assessing Spectral Shortwave Cloud Observations at the Southern Great Plains Facility

The Atmospheric Radiation Measurement (ARM) program (now Atmospheric System Research) was established, in part, to improve radiation models so that they could be used reliably to compute radiation fluxes through the atmosphere, given knowledge of the surface albedo, atmospheric gases, and the aerosol and cloud properties. Despite years of observations, discrepancies still exist between radiative transfer models and observations, particularly in the presence of clouds. Progress has been made at closing discrepancies in the spectral region beyond 3 micron, but the progress lags at shorter wavelengths. Ratios of observed visible and near infrared cloud albedo from aircraft and satellite have shown both localized and global discrepancies between model and observations that are, thus far, unexplained. The capabilities of shortwave surface spectrometry have been improved in recent years at the Southern Great Plains facility (SGP) of the ARM Climate Research Facility through the addition of new instrumentation, the Shortwave Array Spectroradiometer, and upgrades to existing instrumentation, the Shortwave Spectroradiometer and the Rotating Shadowband Spectroradiometer. An airborne-based instrument, the HydroRad Spectroradiometer, was also deployed at the ARM site during the Routine ARM Aerial Facility Clouds with Low Optical Water Depths (CLOWD) Optical Radiative Observations (RACORO) field campaign. Using the new and upgraded spectral observations along with radiative transfer models, cloud scenes at the SGP are presented with the goal of characterizing the instrumentation and the cloud fields themselves.

McBride, P. J.↗
NASA NTRS2020

Atomic Data for Plasma Spectroscopy: The CHIANTI Database, Improvements and Challenges

CHIANTI is an atomic database and software package for modeling emission lines and continua from hot astrophysical plasmas. It is freely available to all researchers and has been widely used in the Heliophysics and Astrophysics communities for almost 25 years. In this review, we summarize the properties of the current version of the database and give an overview of the relevant atomic processes. We also discuss progress towards a complete implementation of collisional-radiative modeling, simultaneously solving for atomic level and ion populations for individual elements.

A&M databases↗
DOE OSTI2024

Micro-tensile Properties of Fueled Irradiated AGR-2 TRISO-coated Particle Buffer, IPyC, and SiC Interlayer Regions

Tristructural isotropic (TRISO) coated nuclear fuel particles are proving to be a versatile fuel form for new reactor designs. Understanding the bounding strength and failure mode of each coating interface is important to both fuel quality evaluation and failure prediction. A mechanism of key significance is failure of the silicon carbide (SiC) layer to retain fission products due to incomplete tearing of the buffer layer. This is a two-step mechanism involving both mechanical failure in the buffer and inner pyrolytic carbon (IPyC) layers and degradation of the SiC layer through palladium silicides at the IPyC-SiC interface. However, the mechanical properties of TRISO particle coating layers have yet to be fully characterized due to the small dimension of TRISO fuel particles and high radioactivity. To investigate this mechanism, in situ micro-tensile properties of the buffer, IPyC, SiC, buffer-IPyC, and IPyC-SiC interlayer regions of fueled TRISO particles have been tested at both as-fabricated and irradiated conditions. Determination of the mechanical properties of these TRISO particle regions will lead to a better understanding of the SiC layer failure mechanism and enable progress towards TRISO fuel qualification.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Laser Powder Directed Energy Deposition of Steels for Nuclear Applications

This comprehensive investigation examines the structure–property relationships in two nuclear alloy systems—Alloy 709 (A709) austenitic stainless steel and Grade 92 (G-92) ferritic/martensitic (F/M) steel—manufactured via directed energy deposition (DED) for sodium-cooled fast reactor applications. This study establishes the fundamental mechanisms for controlling microstructures for optimizing the mechanical performance of additively manufactured nuclear materials through systematic heat treatment optimization and multiscale characterization. As-deposited A709 steel develops a complex multiscale strengthening architecture consisting of a fine cellular solidification structure with diameter of 2-3 µm within10–50 µm grains, elevated dislocation densities from rapid thermal cycling, and grain boundary precipitates that activate concurrent Hall–Petch, dislocation, and precipitation hardening mechanisms to achieve exceptional properties [yield strength (YS): 603 MPa, ultimate tensile strength (UTS): 844 MPa, Vickers hardness: 220 HV] that achieve a 44% superior strength compared to that of the wrought material. Heat treatments produce different results. Solution annealing (SA) dissolves the cellular structure and reduces the hardness to 190 HV. Precipitation treatment (PT) keeps the cellular structure but adds carbides, allowing the hardness to reach 205 HV. The best approach combines both treatments (SA+PT) and creates uniform precipitate distributions with M 23 C 6 carbides at the grain boundaries and MX carbonitrides in the matrix, achieving a hardness of 195 HV. However, directional differences persist, with a 12%–15% strength variation between orientations due to the inherited layered microstructural architecture that survives aggressive heat treatment. While tensile testing at 550°C demonstrates 40%–50% thermal softening with dynamic strain aging, DED A709 steel still maintains a 71% higher YS than that of the wrought material. Ion irradiation studies (100–400 dpa) of DED A709 steel reveal progressive radiation damage with increasing void density and radiation-induced segregation causing nickel enrichment and chromium depletion, which will ultimately compromise mechanical properties. As-deposited G-92 exhibits exceptional strength (UTS: 1650–1700 MPa, 430 HV) through a complex microstructure containing both ferrite and martensite phases, a high geometrically necessary dislocation (GND) density (17.04×10 14 /m 2 ), and fine carbides. Heat treatments create distinct changes. Normalizing produces fresh martensite with the highest hardness (460 HV) and an increased GND density (20.23×10 14 /m 2 ). Tempering develops dual precipitation systems and reduces the hardness to 290 HV. The optimal approach uses sequential normalizing plus tempering, achieving balanced properties with the lowest hardness (250 HV) and a reduced GND density (11.01×10 14 /m 2 ). A processing-dependent anisotropy is observed: horizontal specimens achieve superior ductile behavior, while vertical specimens exhibit brittle failure. A tempering heat treatment successfully mitigates this anisotropic behavior by transforming the hard martensitic as-deposited structure into tempered martensite enabling both horizontal and vertical specimens to exhibit similar stress–strain characteristics with visible necking behavior. Remarkably, testing at 550°C reveals a reversal in the anisotropy, where as-deposited specimens achieve near isotropy with superior thermal stability (a 15%–20% strength reduction), while tempered specimens develop an orientation dependence with a 25%–30% strength reduction. Both alloy systems demonstrate that DED processing creates specimens with a superior strength through refined microstructural features, though with distinct strengthening mechanisms—austenitic through cellular structures and precipitates versus F/M through phase transformations and precipitates. Heat treatment optimization requires alloy-specific approaches, with A709 benefiting from controlled precipitation while G-92 requires careful phase transformation control. The results show that DED manufacturing can produce nuclear materials with exceptional performance, but directional effects and temperature-dependent behavior must be carefully considered for reactor component design and qualification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Combinatorial alloying improves bismuth vanadate photoanodes via reduced monoclinic distortion

Improving the efficiency of solar-powered oxygen evolution is both critical for development of solar fuels technologies and challenging due to the broad set of properties required of a solar fuels photoanode. Bismuth vanadate, in particular the monoclinic clinobisvanite phase, has received substantial attention and has exhibited the highest radiative efficiency among metal oxides with a band gap in the visible range. Efforts to further improve its photoelectrochemical performance have included alloying one or more metals onto the Bi and/or V sites, with progress on this frontier stymied by the difficulty in computational modelling of substitutional alloys and the high dimensionality of co-alloying composition spaces. Since substitutional alloying concurrently changes multiple materials properties, understanding the underlying cause for performance improvements is also challenging, motivating our application of combinatorial materials science techniques to map photoelectrochemical performance of 948 unique bismuth vanadate alloy compositions comprising 0 to 8% alloys of P, Ca, Mo, Eu, Gd, and W along with a variety of compositions from each pairwise combination of these elements. Upon identification of substantial improvements in the (Mo,Gd) co-alloying space, structural mapping was performed to reveal a remarkable correlation between performance enhancement and a lowered monoclinic distortion. Lastly, first-principles density functional theory calculations indicate that the improvements are due to a lowered hole effective mass and hole polaron formation energy, and collectively, our results identify the monoclinic distortion as a critical parameter in the optimization and understanding of bismuth vanadate-based photoanodes.

14 SOLAR ENERGY↗
DOE OSTI2015

Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-p K a Polar Moiety

Signaling pathways intersecting with the p21-activated kinases (PAKs) play important roles in tumorigenesis and cancer progression. By recognizing that the limitations of FRAX1036 (1) were chiefly associated with the highly basic amine it contained, we devised a mitigation strategy to address several issues such as hERG activity. The 5-amino-1,3-dioxanyl moiety was identified as an effective means of reducing pKa and logP simultaneously. When positioned properly within the scaffold, this group conferred several benefits including potency, pharmacokinetics, and selectivity. Mouse xenograft PK/PD studies were carried out using an advanced compound, G-5555 (12), derived from this approach. Overall, these studies concluded that dose-dependent pathway modulation was achievable and paves the way for further in vivo investigations of PAK1 function in cancer and other diseases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Morphological, structural and optical characterization of SnO2 nanotube arrays fabricated using anodic alumina (AAO) template-assisted atomic layer deposition

Highlights: • SnO{sub 2} nanotubes were fabricated by AAO template-assisted atomic layer deposition. • Bulk and surface structure of the SnO{sub 2} nanotubes (NTs) were studied in detail. • The SnO{sub 2} nanotube arrays emitted green light centered at around 520 nm. • PL properties of the SnO{sub 2} NTs depended on their morphology and surface structure. - Abstract: Self-aligned and equal-space SnO{sub 2} nanotubes (NTs) with external diameters ranging from ca. 124 to ca. 325 nm and wall thickness of around 30 nm were synthesized by AAO template-assisted atomic layer deposition. The bulk and surface structure of the SnO{sub 2} nanostructures were studied in detail by XRD and XPS techniques, respectively. The SnO{sub 2} NTs were polycrystalline with an average crystallite size of ca. 3 nm. The structure analysis has revealed that the SnO{sub 2} NTs are composed of the rutile-type SnO{sub 2}. The SnO{sub 2} nanotube arrays with the smaller external diameters emitted green light centered at around 520 nm. The emission was ascribed to the radiative recombination between electrons trapped in shallow donor levels and holes at the intrinsic surface states, associated with the oxygen deficient sites near surface region. The PL intensity diminished with the nanotube diameter and spacing. With increasing external diameter of the SnO{sub 2} nanotubes and decreasing the distance between the neighboring nanotubes, the emission become progressively weaker. The results demonstrate that the structure, morphology and arrangement of SnO{sub 2} nanotubes play an important role in their luminescent properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1994

Pdf modeling for premixed turbulent combustion based on the properties of iso-concentration surfaces

In premixed turbulent flames the presence of intense mixing zones located in front of and behind the flame surface leads to a requirement to study the behavior of iso-concentration surfaces defined for all values of the progress variable (equal to unity in burnt gases and to zero in fresh mixtures). To support this study, some theoretical and mathematical tools devoted to level surfaces are first developed. Then a database of direct numerical simulations of turbulent premixed flames is generated and used to investigate the internal structure of the flame brush, and a new pdf model based on the properties of iso-surfaces is proposed.

Vervisch, L.↗
DOE OSTI2019

NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90

The hsp90 chaperones govern the function of essential client proteins critical for normal cell function as well as cancer initiation and progression. Hsp90 activity is driven by ATP, which binds to the N-terminal domain and induces large conformational changes that are required for client maturation. Inhibitors targeting the ATP-binding pocket of the N-terminal domain have anticancer effects, but most bind with similar affinity to cytosolic Hsp90α and Hsp90β, endoplasmic reticulum Grp94, and mitochondrial Trap1, the four cellular hsp90 paralogs. Paralog-specific inhibitors may lead to drugs with fewer side effects. The ATP-binding pockets of the four paralogs are flanked by three side pockets, termed sites 1, 2, and 3, which differ between the paralogs in their accessibility to inhibitors. Previous insights into the principles governing access to sites 1 and 2 have resulted in development of paralog-selective inhibitors targeting these sites, but the rules for selective targeting of site 3 are less clear. Earlier studies identified 5'N-ethylcarboxamido adenosine (NECA) as a Grp94-selective ligand. Here we use NECA and its derivatives to probe the properties of site 3. We found that derivatives that lengthen the 5' moiety of NECA improve selectivity for Grp94 over Hsp90α. Crystal structures reveal that the derivatives extend further into site 3 of Grp94 compared with their parent compound and that selectivity is due to paralog-specific differences in ligand pose and ligand-induced conformational strain in the protein. These studies provide a structural basis for Grp94-selective inhibition using site 3.

59 BASIC BIOLOGICAL SCIENCES↗