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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 55 records · Page 3

Gaseous hydrogen-induced cracking of Ti-5Al-2.5Sn.

Study of the kinetics of hydrogen-induced cracking in the Ti-5Al-2.5Sn titanium alloy, which has a structure of acicular alpha platelets in a beta matrix. The crack-growth rate at low stress-intensity levels was found to be exponentially dependent on stress intensity but essentially independent of temperature. The crack-growth rate at intermediate stress-intensity levels was found to be independent of stress intensity but dependent on temperature in such a way that crack-growth rate was controlled by a thermally activated mechanism having an activation energy of 5500 cal/mole and varied as the square root of the hydrogen pressure. The crack-growth rate at stress-intensity levels very near the fracture toughness is presumed to be independent of environment. The results are interpreted to suggest that crack growth at high stress intensities is controlled by normal, bulk failure mechanisms such as void coalescence and the like. At intermediate stress-intensity levels the transport of hydrogen to some interaction site along the alpha-beta boundary is the rate-controlling mechanism. The crack-growth behavior at low stress intensities suggests that the hydrogen interacts at this site to produce a strain-induced hydride which, in turn, induces crack growth by restricting plastic flow at the crack tip.

Williams, D. P.↗

Scaling effects of defects in fiber-reinforced composites

Material defects may be introduced willingly or unwillingly during material manufacturing and structural component fabrication stages. Their presence in the material plays a dominant role in determining the material's strength and the associate failure mechanisms. In the sense that the size and the number of defects may increase with the volume of the material, the effect of dimensional scaling may manifest itself in the dependence of material strength on volume. Or, alternatively, there may exist a scaling effect of material defects. In fiber-reinforced composites, manufacturing or fabrication defects may come in several forms: matrix voids, matrix microcracks, fiber misalignment, broken fibers, or interface disbonds, just to mention a few. These are interacting and competing defects in the sense that one type of defect may become dominant under one stress condition and another type of defect may become dominant under a different stress condition. This happens because the fiber reinforcement network, together with the distribution of defects, constitutes the prime microstructure of the composite, and there exist continued interactions between the evolving microstructure and the distribution of defects. In the process, the scaling effects of defects are complicated by this interaction. In this presentation, the scaling effects of defects in fiber-reinforced composites will be briefly discussed with the introduction of the concept of effective defects. It is then shown with the aid of some actual experimental and analysis results that the scaling effects are very much present, but they are regulated by the characteristic dimension of the composite microstructure due to the aforementioned microstructure-defect interaction effect.

Wang, A. S. D.↗

Observations of moon-plasma interactions by orbital and surface experiments

Extensive magnetic field observations together with crucial plasma measurements by the Explorer 35 lunar orbiter and Apollo surface and orbital experiments have established the basic nature of the moon's interaction with the solar wind and interplanetary magnetic field. The effective absorption of the incident solar wind by the moon creates a plasma void or cavity behind the moon. The cavity-associated magnetic signature is characterized by an enhancement in magnetic field magnitude B within the cavity as compared with the mean level of B in the surrounding interplanetary plasma and dips or decreases in B near the cavity boundaries with the solar wind. Apollo particle and field measurements on the lunar surface have provided evidence of a regional interaction of the highly conducting solar wind with lunar remanent magnetic fields. Simultaneous plasma and magnetic field data, from the spectrometer and the lunar surface magnetometer at the Apollo 12 location, show the compression of the local remanent field by large solar wind and magnetosheath plasma dynamic pressures.

Schubert, G.↗

Metal/silicon interface formation - The Ni/Si and Pd/Si systems

The valence level spectra of the Ni/Si and Pd/Si systems have been investigated using high resolution X-ray photoelectron spectroscopy. Temperature dependence studies for Ni deposited on thin thermal SiO2 demonstrate the importance of metal aggregation effects in the interpretation of binding energies as chemical shifts. Temperature studies for the Ni/Si system indicate that substantial chemical interaction occurs at the interface at temperatures as low as 100 K. These studies also show the presence of Ni in interstitial voids in the Si near the interface. A comparative study of the core and valence band features for the Ni and Pd silicides provides many valuable insights and a self-consistent picture of the attendent valence charge redistribution and its influence on the observed chemical shifts.

Grunthaner, P. J.↗

Fragme∩t: An Open‐Source Framework for Multiscale Quantum Chemistry Based on Fragmentation

Fragment-based quantum chemistry offers a means to circumvent the nonlinear computational scaling of conventional electronic structure calculations, by partitioning a large calculation into smaller subsystems then considering the many-body interactions between them. Variants of this approach have been used to parameterize classical force fields and machine learning potentials, applications that benefit from interoperability between quantum chemistry codes. However, there is a dearth of software that provides interoperability yet is purpose-built to handle the combinatorial complexity of fragment-based calculations. To fill this void we introduce “Fragme∩t”, an open-source software application that provides a tool for community validation of fragment-based methods, a platform for developing new approximations, and a framework for analyzing many-body interactions. Fragme∩t includes algorithms for automatic fragment generation and structure modification, and for distance- and energy-based screening of the requisite subsystems. Checkpointing, database management, and parallelization are handled internally and results are archived in a portable database. Interfaces to various quantum chemistry engines are easy to write and exist already for Q-Chem, PySCF, xTB, Orca, CP2K, MRCC, Psi4, NWChem, GAMESS, and MOPAC. Applications reported here demonstrate parallel efficiencies around 96% on more than 1000 processors but also showcase that the code can handle large-scale protein fragmentation using only workstation hardware, all with a codebase that is designed to be usable by non-experts. Fragme∩t conforms to modern software engineering best practices and is built upon well established technologies including Python, SQLite, and Ray. The source code is available under the Apache 2.0 license.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kinetic Monte Carlo simulations of aging in δ -Pu

We have developed a first-passage kinetic Monte Carlo approach for materials aging to investigate the sensitivity of void swelling to model parameters, including helium bubble density and size distribution. In addition to explicitly accounting for the spatial distribution of individual point defects, bubbles, and voids, our approach can simulate total doses equivalent to 100 years of natural aging on statistically representative volumes of materials. This technique enables us to study the effects on swelling and radiation damage evolution due to temperature and dose rate (as altered in artificially aged experiments), differences in effective interaction radii between vacancies and interstitials, and varying defect diffusion activation energies, while providing more detailed information than previous rate-equation based approaches. In conclusion, our results indicate that spatial effects that are not modeled in mean-field rate theories could play a significant role in void swelling initiation and growth for certain regimes of model parameters.

Actinides↗

Dust in Jupiter's magnetosphere - An Io source

The possibility of removing particles from Io by interactions with the Jovian magnetosphere has been investigated. It is found that dust grains of about 0.1 micron radius will rapidly become charged if exposed to the ambient Jovian plasma. For particles this size in Io's volcanic plumes, the Lorentz force can overcome Io's gravity and these particles can escape. Escaping dust will be controlled by the topology of the magnetosphere and it is suggested that Io-derived dust may be an important source of erosive impacts on large Jovian ring particles and destructive collisions with small particles. The ring particles themselves will interact with the Jovian plasma and it is suggested that Coulomb scattering of plasma particles by charged dust grains may produce a plasma gap or void in the vicinity of the rings.

Johnson, T. V.↗

A Coordinated X-Ray and Optical Campaign of the Nearest Massive Eclipsing Binary, Delta Orionis Aa. II. X-Ray Variability

We present time-resolved and phase-resolved variability studies of an extensive X-ray high-resolution spectral data set of the delta Ori Aa binary system. The four observations, obtained with Chandra ACIS (Advanced CCD Imaging Spectrometer) HETGS (High Energy Transmission Grating), have a total exposure time approximately equal to 479 kiloseconds and provide nearly complete binary phase coverage. Variability of the total X-ray flux in the range of 5-25 angstroms is confirmed, with a maximum amplitude of about plus or minus15 percent within a single approximately equal to125 kiloseconds observation. Periods of 4.76 and 2.04 days are found in the total X-ray flux, as well as an apparent overall increase in the flux level throughout the nine-day observational campaign. Using 40 kiloseconds contiguous spectra derived from the original observations, we investigate the variability of emission line parameters and ratios. Several emission lines are shown to be variable, including S (sub XV), Si (sub XIII), and Ne (sub IX). For the first time, variations of the X-ray emission line widths as a function of the binary phase are found in a binary system, with the smallest widths at phi = 0.0 when the secondary delta Ori Aa2 is at the inferior conjunction. Using 3D hydrodynamic modeling of the interacting winds, we relate the emission line width variability to the presence of a wind cavity created by a wind-wind collision, which is effectively void of embedded wind shocks and is carved out of the X-ray-producing primary wind, thus producing phase-locked X-ray variability.

X-ray flux↗

Spectra of galaxies in the Case Low-Dispersion Sky Survey in the direction of the Bootes void

A sample of 34 galaxies selected from the Case Low-Dispersion Northern Sky Survey in the direction of the Bootes void. Emission-line redshifts were obtained for 33 objects; the spectrum of the thirty-fourth galaxy contains no obvious features. Three of the emission-line galaxies are lcoated within the boundaries of the Bootes void, including one not previously reported. To date, all the galaxies discovered in the void have emission-line spectra. Although more than half the galaxies in the sample are fainter than M(B) = -21.0 mag, all five of the galaxies that were detected by IRAS are brighter than M(B) = 21.5 mag. The relative strengths of the emission lines in most of the galaxies, including those in the void, indicate the lines are excited by photoionization due to young, hot O and B stars. Possible causes for the star formation occurring in these galaxies include interaction with nearby galaxies, star formation induced by nuclear activity, and/or recent development of physical conditions required for star formation.

Weistrop, Donna↗

Real-Time Investigation of Solidification of Metal Matrix Composites

Casting of metal matrix composites can develop imperfections either as non- uniform distributions of the reinforcement phases or as outright defects such as porosity. The solidification process itself initiates these problems. To identify or rectify the problems, one must be able to detect and to study how they form. Until, recently this was only possible by experiments that employed transparent metal model organic materials with glass beads to simulate the reinforcing phases. Recent results obtained from a Space Shuttle experiment (using transparent materials) will be used to illustrate the fundamental physics that dictates the final distribution of agglomerates in a casting. We have further extended this real time investigation to aluminum alloys using X-ray microscopy. A variety of interface-particle interactions will be discussed and how they alter the final properties of the composite. A demonstration of how a solid-liquid interface is distorted by nearby voids or particles, particle pushing or engulfment by the interface, formations of wormholes, Aggregation of particles, and particle-induced segregation of alloying elements will be presented.

Kaukler, William↗

Global Cooperation in the Science of Sun-Earth Connection

The international space science community had recognized the importance of space weather more than a decade ago, which resulted in a number of international collaborative activities such as the International Space Weather Initiative (ISWI), the Climate and Weather of the Sun Earth System (CAWSES) by SCOSTEP and the International Living with a Star (ILWS) program. These programs have brought scientists together to tackle the scientific issues related to short and long term variability of the Sun and the consequences in the heliosphere. The ISWI program is a continuation of the successful International Heliophysical Year (IHY) 2007 program in focusing on science, observatory deployment, and outreach. The IHY/ISWI observatory deployment has not only filled voids in data coverage, but also inducted young scientists from developing countries into the scientific community. The ISWI schools and UN workshops are the primary venues for interaction and information exchange among scientists from developing and developed countries that lead to collaborative efforts in space weather. This paper presents a summary of ISWI activities that promote space weather science via complementary approaches in international scientific collaborations, capacity building, and public outreach.

Gopalswamy, Natchimuthuk↗

An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol γ

The replication accuracy of DNA polymerase gamma (Pol γ) is essential for mitochondrial genome integrity. Mutation of human Pol γ arginine-853 has been linked to neurological diseases. Although not a catalytic residue, Pol γ arginine-853 mutants are void of polymerase activity. To identify the structural basis for the disease, we determined a crystal structure of the Pol γ mutant ternary complex with correct incoming nucleotide 2'-deoxycytidine 5'-triphosphate (dCTP). Opposite to the wild type that undergoes open-to-closed conformational changes when bound to a correct nucleotide that is essential for forming a catalytically competent active site, the mutant complex failed to undergo the conformational change, and the dCTP did not base pair with its Watson-Crick complementary templating residue. Our studies revealed that arginine-853 coordinates an interaction network that aligns the 3'-end of primer and dCTP with the catalytic residues. Disruption of the network precludes the formation of Watson-Crick base pairing and closing of the active site, resulting in an inactive polymerase.

59 BASIC BIOLOGICAL SCIENCES↗

3d Particle Geometry Characterization of Apollo Regolith Samples Via Laser Diffraction and Dynamic Image Analysis

Establishing a fundamental understanding of regolith mechanics hinges on the characterization of the foundational physical parameters that dictate granular particle interactions both on micro- and macro-scales. Specifically, particle size distribution, particle geometry and grain density govern the geotechnical properties, including compressibility, shear strength, hydraulic conductivity (i.e., permeability), void ratio (i.e., porosity), and thermal conductivity of the lunar regolith. The absence of terrestrial geologic processes on the lunar surface, a lack of water, clay minerals, and organic material in lunar soils, and the narrow compositional range in terms of mineral diversity of the regolith produces a unique problem when attempting to project terrestrial soil mechanics concepts to the lunar surface. Additionally, the occurrence of agglutinates, exclusive to the lunar surface, further disassociates the physical behavior (e.g., particle crushability, flowability, etc.) of regolith from that observed in terrestrial soils.

R. Kovtun↗

Irradiation of TZM: Uranium dioxide fuel pin at 1700 K

A fuel pin clad with TZM and containing solid pellets of uranium dioxide was fission heated in a static helium-cooled capsule at a maximum surface temperature of 1700 K for approximately 1000 hr and to a total burnup of 2.0 percent of the uranium-235. The results of the postirradiation examination indicated: (1) A transverse, intergranular failure of the fuel pin occurred when the fuel pin reached 2.0-percent burnup. This corresponds to 1330 kW-hr/cu cm, where the volume is the sum of the fuel, clad, and void volumes in the fuel region. (2) The maximum swelling of the fuel pin was less than 1.5 percent on the fuel-pin diameter. (3) There was no visible interaction between the TZM clad and the UO2. (4) Irradiation at 1700 K produced a course-grained structure, with an average grain diameter of 0.02 centimeter and with some of the grains extending one-half of the thickness of the clad. (5) Below approximately 1500 K, the irradiation of the clad produced a moderately fine-grained structure, with an average grain diameter of 0.004 centimeter.

Mcdonald, G. E.↗

Micromechanically Based Constitutive Relations for Polycrystalline Solids

A basic method to estimate the overall mechanical response of solids which contain periodically distributed defects is presented. The method estimates the shape and growth pattern of voids periodically distributed over the grain boundaries in a viscous matrix. The relaxed moduli are obtained for a polycrytalline solid that undergoes relaxation by grain boundary sliding which accounts for the interaction effects. The overall inelastic nonlinear response at elevated temperatures in terms of a model which considers nonlinear power law creep within the grains, and linear viscous flow in the grain boundaries is discussed.

Nemat-Nasser, S.↗

Acid-Sulfate Weathering Environment at Shergottite Provenance on Mars

In some impact melt (IM) glasses in the shergottites such as EET79001, Shergotty and Tissint, recently showed that secondary mineral assemblages having large sulfur excesses cannot be produced in-situ by impact shock melting of the host rock constituents. Instead, these putative secondary minerals inferred to be present in IM glasses were produced somewhere else in the shergottite source region and were subsequently mobilized into the host rock voids (by lava erosion or aolian activity) prior to impact ejection. In this abstract, we examine the aqueous conditions (pH and water/rock ratios) under which the acid sulfate solutions could have interacted with the primary minerals in the basaltic rocks and precipitated the secondary minerals such as Fe-sulfates in some cases and Ca- and Al-sulfates in other cases under favorable conditions at the shergottite provenance on Mars.

Rao, M. N.↗

Non-solvents as physical blowing agents in printable silicone foams

Silicone foams were produced by dispersing an incompatible liquid phase (i.e. a non-solvent) into an uncured, liquid silicone. The formulation and processing parameters were varied to see the effect on porosity and pore morphology. Specifically, two fluorosilanes were added to stabilize the inclusion of fluorinated solvents as blowing agents. As the floruosilane content increased, the void content increased up to about 44 vol. % when the fluorosilane comprised 18 wt. % of the initial formulation. Fumed silica that was treated with a fluorinated silane was also used to try to stabilize the dispersed liquid. While the fumed silica content did not have a strong effect on the total void content, the morphology changed when silica content changed. Various fluorinated solvents with distinct chemical structures were used as the non-solvent and then removed after curing of the silicone. The interaction of the internal non-solvent phase and the silicone phase was expected to influence the porosity. These insights highlight how the manipulation of formulation and processing parameters, focusing on the inclusion of fluorosilanes and fluorinated solvents, contributes to the understanding of how incompatible liquid phases interact with silicone matrices to control porosity and pore morphology. Additionally, these interactions also influenced processability, leading to formulations that could be printed. Higher content of non-solvent inclusions could increase the yield stress and storage modulus of an uncured formulation, leading to the ability to tune intrastrand porosity while a 3D printed architecture could be modified to introduce porosity between the strands. Furthermore, in addition to fluorinated solvents, we also considered non-fluorinated solvents since these may be more industrially relevant in the future. Overall, this approach provides an alternative route to producing porous foams that can be 3D printed, which could be useful for applications like cushioning and protective gear.

physical blowing agent↗

Bodies in flowing plasmas - Laboratory studies

A brief review of early rudimentary laboratory studies of bodies in flowing, rarefied plasmas is presented (e.g., Birkeland, 1908), along with a discussion of more recent parametric studies conducted in steady plasma wind tunnels, which includes the study by Hall et al. (1964), in which a strong ion density enhancement in the center of the ion void created downstream from the body was observed. Good agreement was found between the experimental results and theoretical calculations which omit ion thermal motion. Examples in which in situ data on the interaction between satellites and the ionospheric plasma have been elucidated by the laboratory results are presented, and include evidence for a midwake axial ion peak, and ion current density in the near-wake region. The application of the ionospheric laboratory to basic space plasma physics is discussed, and its application to some types of solar system plasma phenomena is illustrated.

Stone, N. H.↗