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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Roosevelt County 027 - A low-shock ureilite with interstitial silicates and high noble gas concentrations

The RC027 lightly-shocked ureilite contains less than 1 percent of a fine-grained interstitial silicate that has an igneous texture indicating crystallization from an interstitial liquid. RC027 is also noted to exhibit the strongest olivine preferred-orientation thus far observed in a ureilite; its fabric is characteristic of fabrics formed by tabular minerals in a fluid laminar flow regime, and is unlike those formed by synectonic recrystallization and plastic flow. The elemental and isotopic compositions of noble gases in RC027 are typical of previously analyzed ureilites.

Goodrich, Cyrena Anne↗
DOE OSTI2022

Metal stack templates for suppressing secondary grains in sca1n

A metal stack for templating the growth of AlN and ScAlN films is disclosed. The metal stack comprises one, two, or three layers of metal, each of which is compatible with CMOS post-processing. The metal stack provides a template that promotes the growth of highly textured c-axis {002} AlN and ScAlN films. The metal stacks include one or more metal layers with each metal layer having either a hexagonal {002} orientation or a cubic {111} orientation. If the metal stack includes two or more metal layers, the layers can alternate between hexagonal {002} and cubic {111} orientations. The use of ScAlN results in a higher piezoelectric constant compared to that of AlN for ScAlN alloys up to approximately 44% Sc. The disclosed metal stacks resulted in ScAlN films having XRD FWHM values of less than approximately 1.1° while significantly reducing the formation of secondary grains in the ScAlN films.

Esteves, Giovanni↗
DOE OSTI2025

Overcoming Secondary Nucleation of Misoriented Domains during Wafer-Scale Epitaxy of Single-Crystal Graphene on Ge(110)

The wafer-scale synthesis of single-crystal graphene on technologically important substrates is a major challenge inhibiting the development of next-generation devices that harness the exceptional electronic, thermal, and mechanical properties of single-crystal graphene. Here, in this work, the factors controlling the domain orientation of graphene grown epitaxially on Ge(110) are elucidated, and this insight is utilized to produce graphene with minimal polycrystallinity. In the early stages of growth, most graphene islands have unidirectionally aligned lattices. However, we discover a secondary nucleation phenomenon in which misoriented graphene domains nucleate near/from the island edges, introducing defective grain boundaries and significantly increasing polycrystallinity throughout growth. We find that secondary nucleation occurs when islands grow over Ge steps, which form because of an interplay between the island growth and Ge surface topography evolution. Strategies for suppressing secondary nucleation are developed, enabling the synthesis of graphene in which the predominant crystal orientation has high coverage >99% and low rotational spread <0.6°. This work overcomes the irreproducibility of graphene epitaxy on Ge(110) reported in the literature, providing a route toward the large-area synthesis of single-crystal graphene on technologically useful semiconductors.

chemical vapor deposition↗
DOE OSTI2026

Nanoionics Drastically Accelerating Mass Transfer at Elevated Temperatures over 750 °C

Nanoionics were previously considered thermally unstable and infeasible for devices operating above 500 °C. Here, we elucidate the design principle for establishing stable nanoionics from various oxides. We utilized reversible solid oxide cells (SOCs) as the test bed and implemented nanoionics using atomic layer deposition (ALD). We demonstrate a straightforward, interface-controlled, practical approach to render a conformal, ∼15 nm thick ALD film, which initially thermodynamically favors the formation of a solid solution with the substrate into surface nanoionics with single or double layers of nanograins with random crystal orientations. The nanoionics exhibited conductivity estimated to be 7 orders of magnitude higher than that of their bulk-scale counterpart. They demonstrated conformability with uniform grain sizes of ∼15 nm, even after electrochemical operation for ∼500 h at 750 °C and 1000 h at 850 °C. The thermal stability and conductivity of such nanoionics represent a conceptual and technological framework in nanoionics.

atomic layer deposition↗
DOE OSTI2025

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren [B. E. Warren, Acta Crystallogr. 6, 803 (1953)]. We compare the predictions of our model with femtosecond x-ray diffraction patterns gathered from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density instrument of the European X-Ray Free-Electron Laser facility and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

Crystal lattices↗
NASA NTRS1994

A new titanium-bearing calcium aluminosilicate phase. 1: Meteoritic occurrences and formation in synthetic systems

A new titanium-bearing calcium aluminosilicate mineral has been identified in coarse-grained calcium-aluminum-rich inclusions (CAIs) from carbonaceous chondrites. The formula for this phase, which we have temporarily termed 'UNK,' is Ca3Ti(Al,Ti)2(Si,Al)3O14, and it is present in at least 8 of the 20 coarse-grained CAIs from the Allende CV3 chondrite examined as part of this project. The phase occurs in Types A and B1 inclusions as small tabular crystal oriented along two mutually perpendicular planes in melilite. UNK crystallizes from melts in dynamic crystallization experiments conducted in air from four bulk compositions modeled after Types A, B1, B2 and C inclusions. Cooling rates resulting in crystallization of UNK ranged from 0.5 to 200 C/h from maximum (initial) temperatures of 1375 to 1580 C. Only below 1190 C does UNK itself begin to crystallize. To first order, the presence or absence of UNK from individual experiments can be understood in terms of the compositions of residual melts and nucleation probabilities. Compositions of synthetic and meteoritic UNK are very similar in terms of major oxides, differing only in the small amounts of trivalent Ti(7-13% of total Ti) in meteoritic samples. UNK crystallized from the Type A analog is similar texturally to that found in CAIs, although glass, which is typically associated with synthetic UNK, is not observed in the meteoritic occurrences. A low Ti end-member of UNK ('Si-UNK') with a composition near that of Ca3Al2Si4O14 was produced in a few samples from the Type B1 analog. This phase has not been found in the meteoritic inclusions.

Paque, Julie M.↗
NASA NTRS1994

A New Titanium-Bearing Calcium Aluminosilicate Phase: Meteoritic Occurrences and Formation in Synthetic Systems - 1

A new titanium-bearing calcium aluminosilicate mineral has been identified in coarse-grained calcium-aluminum-rich inclusions (CAIs) from carbonaceous chondrites. The formula for this phase, which we have temporarily termed "UNK," is Ca3Ti(AlTi)2(Si,Al)3O14, and it is present in at least 8 of the 20 coarse-grained CAIs from the Allende CV3 chondrite examined as part of this project. The phase occurs in Types A and B1 inclusions as small tabular crystals oriented along two mutually perpendicular planes in melilite. UNK crystallizes from melts in dynamic crystallization experiments conducted in air from four bulk compositions modeled after Types A, B1, B2 and C inclusions. Cooling rates resulting in crystallization of UNK ranged from 0.5 to 200 C/h from maximum (initial) temperatures of 1375 to 1580 C. Only below 1190 C does UNK itself begin to crystallize. To first order, the presence or absence of UNK from individual experiments can be understood in terms of the compositions of residual melts and nucleation probabilities. Compositions of synthetic and meteoritic LINK are very similar in terms of major oxides, differing only in the small amounts of trivalent Ti (7-13% of total Ti) in meteoritic samples. UNK crystallized from the Type A analog is similar texturally to that found in CAls, although glass, which is typically associated with synthetic UN& is not observed in meteoritic occurrences. A low Ti end-member of UNK ("Si-UNK") with a composition new that of Ca3Al2Si4O14 was produced in a few samples from the Type B1 analog. This phase has not been found in the meteoritic inclusions.

Paque, Julie M.↗
DOE OSTI2026

KRAS4a and KRAS4b show distinct lipid-dependent regulation of RAS-RAF membrane dynamics

KRAS4a and KRAS4b are important regulators of signaling, and their interactions with the plasma membrane are dynamic and influenced by lipid composition. KRAS 4a and 4b have nearly identical globular domains but differ in their membrane-associated hyper variable region (HVR). The functional distinctions between these isoforms remain unclear, particularly with regards to their dependence on specific lipids and the membrane environment. Previous work showed that the membrane orientation of KRAS4b affects its ability to bind to RAF kinase RBDCRD and that the KRAS–RBDCRD complex adopts different poses on the membrane as well as influences the size and composition of the lipid environment. To model differences between KRAS 4a and 4b protein–lipid interactions, we extended the Multiscale Machine-Learned Modeling Infrastructure (MuMMI) to incorporate continuum simulations in the grand canonical ensemble, enabling sampling across macroscopic, coarse-grained, and all-atom resolutions. Using this framework, we systematically altered PIP2 concentrations, KRAS 4a versus 4b, and RAF RBDCRD complexation to assess impacts on membrane–protein interactions and dynamics. Our results reveal that reducing PIP2 shifts and broadens the membrane orientational preference of both KRAS 4b and 4a, with stronger effects on 4b HVR localization versus 4a. We demonstrate that with depletion of the strong negatively charged PIP2 lipid, the less charged phosphatidylserine replaces PIP2. Our findings highlight similarities and distinctions in the dynamics and lipid dependency of KRAS isoforms and suggest that ordering of the local lipid composition by HVRs is a shared property and key modulator of RAS-mediated signaling at the plasma membrane.

Biological and medical sciences↗
DOE OSTI2021

Predicting Fracture Network Development in Crystalline Rocks

The geometric properties of fractures influence whether they propagate, arrest, or coalesce with other fractures. Thus, quantifying the relationship between fracture network characteristics may help predict fracture network development, and perhaps precursors to catastrophic failure. To constrain the relationship and predictability of fracture characteristics, we deform eight one centimeter tall rock cores under triaxial compression while acquiring in situ X-ray tomograms. The tomograms reveal precise measurements of the fracture network characteristics above the spatial resolution of 6.5 µm. We develop machine learning models to predict the value of each characteristic using the other characteristics, and excluding the macroscopic stress or strain imposed on the rock. The models predict fracture development more accurately in the experiments performed on granite and monzonite, than the experiments on marble. Fracture network development may be more predictable in these igneous rocks because their microstructure is more mechanically homogeneous than the marble, producing more systematic fracture development that is not strongly impeded by grain contacts and cleavage planes. The varying performance of the models suggest that fracture volume, length, and aperture are the most predictable of the characteristics, while fracture orientation is the least predictable. Orientation does not correlate with length, as suggested by the idea that the orientation evolves with increasing differential stress and thus fracture length. This difference between the observed and expected relationship between orientation and length highlights the influence of mechanical heterogeneities and local stress perturbations on fracture growth as fractures propagate, link, and coalesce.

58 GEOSCIENCES↗
DOE OSTI2023

Twin suppression effect of dihydroxy-benzene isomers during the secondary growth of b -oriented zeolite MFI nanosheet films

In this study, the presence of MFI twin crystals on b-axis oriented zeolite MFI nanosheet films was suppressed by adding dihydroxy-benzene isomers in the synthesis mixture. The resulting nanosheet films exhibit good intergrowth and a small grain thickness of 30–45 nm within a relatively short synthesis time (hours). The possible twin suppression mechanisms for the three isomers are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

True Load Balancing for Matricized Tensor Times Khatri-Rao Product

MTTKRP is the bottleneck operation in algorithms used to compute the CP tensor decomposition. For sparse tensors, utilizing the compressed sparse fibers (CSF) storage format and the CSF-oriented MTTKRP algorithms is important for both memory and computational efficiency on distributed-memory architectures. Existing intelligent tensor partitioning models assume the computational cost of MTTKRP to be proportional to the total number of nonzeros in the tensor. However, this is not the case for the CSF-oriented MTTKRP on distributed-memory architectures. We outline two deficiencies of nonzero-based intelligent partitioning models when CSF-oriented MTTKRP operations are performed locally: failure to encode processors' computational loads and increase in total computation due to fiber fragmentation. We focus on existing fine-grain hypergraph model and propose a novel vertex weighting scheme that enables this model encode correct computational loads of processors. We also propose to augment the fine-grain model by fiber nets for reducing the increase in total computational load via minimizing fiber fragmentation. In this way, the proposed model encodes minimizing the load of the bottleneck processor. In conclusion, parallel experiments with real-world sparse tensors on up to 1024 processors prove the validity of the outlined deficiencies and demonstrate the merit of our proposed improvements in terms of parallel runtimes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1974

Multicolor polarimetry of the night sky

Five-color observations of the linear polarization and single-color observations of the circular polarization are presented for the night sky. The pattern of orientations of the plane of vibration and the presence of the circular polarization in regions away from the galactic plane both imply that partially aligned nonspherical dust grains contribute substantially to the zodiacal light.

Wolstencroft, R. D.↗
NASA NTRS1984

The effect of anisotropic crystal-melt surface tension on grain boundary groove morphology

The shape of a stationary solid-liquid interface in a temperature gradient near a grain boundary in a pure material is calculated for anisotropic crystal-melt surface tension and equal thermal conductivities of crystal and melt. Results are compared with those for the well-known problem of the two-dimensional equilibrium shape of a crystal. For small anisotropy, the resulting interface shapes have continuously turning tangents but differ in detail from the grain boundary groove shapes that have been calculated for isotropic surface tension. For larger anisotropy, the interface shapes have discontinuities in slope as a result of missing orientations.

Voorhees, P. W.↗
NASA NTRS2014

Magnetite as Possible Template for the Synthesis of Chiral Organics in Carbonaceous Chondrites

The main goal of the Japanese Aerospace Ex-ploration Agency (JAXA) Hayabusa-2 mission is to visit and return to Earth samples of a C-type asteroid (162173) 1999 JU3 in order to understand the origin and nature of organic materials in the Solar System. Life on Earth shows preference towards the set of organics with particular spatial arrangements, this 'selectivity' is a crucial criterion for life. With only rare exceptions, life 'determines' to use the left- (L-) form over the right- (D-) form of amino acids, resulting in a L-enantiomeric excess (ee). Recent studies have shown that L-ee is found within the alpha-methyl amino acids in meteorites [1, 2], which are amino acids with rare terrestrial occurrence, and thus point towards a plausible abiotic origin for ee. One of the proposed origins of chiral asymmetry of amino acids in meteorites is their formation with the presence of asymmetric catalysts [3]. The catalytic mineral grains acted as a surface at which nebular gases (CO, H2 and NH3) were allowed to condense and react through Fisher Tropsch type (FTT) syntheses to form the organics observed in meteorites [4]. Magnetite is shown to be an effective catalyst of the synthesis of amino acids that are commonly found in meteorites [5]. It has also taken the form as spiral magnetites (a.k.a. 'plaquettes'), which were found in various carbonaceous chondrites (CCs), including C2s Tagish Lake and Esseibi, CI Orgueil, and CR chondrites [e.g., 6, 7, 8]. In addition, L-ee for amino acids are common in the aqueously altered CCs, as opposed to the unaltered CCs [1]. It seems possible that the synthesis of amino acids with chiral preferences is correlated to the alteration process experienced by the asteroid parent body, and related to the configuration of spiral magnetite catalysts. Since C-type asteroids are considered to be enriched in organic matter, and the spectral data of 1999 JU3 indicates a certain de-gree of aqueous alteration [9], the Hayabusa-2 mission serves as a perfect chance to attest this argument. In order to understand the distribution of spiral magnetites among different meteorite classes, as well as to investigate their spiral configurations and correlation to molecular asymmetry, we observed polished thin sections of CCs using scanning electron microscope (SEM) imaging. Individual magnetite grains were picked, embedded in epoxy, thin-sectioned using an ultra-microtome, and studied with electron backscatter diffraction (EBSD) in order to reconstruct the crystal orientation along the stack of magnetite disks.

Chan, Q. H. S.↗
DOE OSTI2021

Process-Structure-Property Relations for As-Deposited Solid-State Additively Manufactured High-Strength Aluminum Alloy

Solid-state additive manufacturing methods provide innovative solutions to circumvent problems associated with materials susceptible to hot cracking by avoiding liquid solid phase transformations. In this work, the process parameter influence on microstructural evolution and mechanical response of a fully dense aluminum alloy 7050 (AA7050) component manufactured via a rapid, solid-state additive manufacturing process known as Additive Friction Stir Deposition (AFS-D) was quantified for the first time. Three sections (starting dwell, transient, crossover of roads) of the deposition that exhibit differing thermomechanical processing histories were evaluated for the resulting microstructure and mechanical response. The microstructural characterization was performed on the as-deposited AA7050 via Electron Backscatter Diffraction (EBSD), TEM, optical microscopy, and Scanning Electron Microscopy (SEM). The microstructural characterization revealed refined constituent particles and grains throughout the as-deposited AA7050 microstructure. Furthermore, quasi-static tensile experiments were conducted in both the build and transverse directions, in order to quantify the orientation influence on tensile properties of the as-deposited AA7050 build. Spatially dependent tensile properties were observed in the material due to heat input variation coarsening of secondary phases towards the initial layers of the AFS-D build. Post-mortem analysis revealed that voids nucleated and coalesced from the overgrowth of the strengthening precipitates present in the material, resulting in fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Shear-Induced Conformations of Salt-Free Polyelectrolytes in Semidilute Solutions

Here, we present coarse-grained molecular dynamics simulations of salt-free polyelectrolyte chains in semidilute solutions under simple shear flow, with full hydrodynamic interactions and explicit dipolar solvent. At equilibrium, chain orientation statistics follow a pseudo-Voigt distribution, and the structural correlation length and chain end-to-end vector autocorrelation function exhibit scaling behavior consistent with theoretical predictions for polyelectrolytes. Under shear, chains transition from coiled to stretched states and the end-to-end vector autocorrelation function reveals oscillatory dynamics at high Weissenberg numbers. Analysis of the gyration tensor and shear strain distributions identified three distinct chain populations with directional alignment along and against the shear gradient. Compared with their neutral polymer counterparts, polyelectrolytes exhibit stronger shear thinning and enhanced chain alignment under the same Weissenberg number, which is attributed to electrostatic interactions and shear-induced counterion release. These findings provide molecular insight into the distinct flow response of charged polymers and have implications for tailoring the rheological properties of polyelectrolyte-based materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

The Plunge Phase of Friction Stir Welding

The many advantages of Friction Stir Welding have led to a relatively rapid acceptance in the often conservative welding community. Because the process is so different from traditional fusion welding, with which most investigators are most familiar, there remain many aspects of FSW for which there is no clear consensus. For example, the well known onion rings seen in transverse sections have been variously interpreted as grain size variations, variation in density of second phase particles and parts of the carousel of material rotating with the pin that have been shed from the carousel. Using Orientation Imaging Microscopy, Schneider has recently noted that the onion rings have a different orientation (and hence etch differently) than the surrounding material, and this orientation is consistent with slip plane orientations at the edge of the carousel. Likewise, the forces and torque exerted by the FSW tool on the work piece largely remain unaccounted for. Although these forces are routinely measured by investigators with commercial instrumented welders, they are rarely reported or even qualitatively analyzed. This paper will introduce a model based on a carousel or disk of material that rotates with the tool to estimate the torque and plunge force required to plunge a tool into the work piece. A stationary tool is modeled rather than the moving tool because effects such as thermal transients and metallurgical changes in the sample (primarily aging in aluminum) can be more easily accounted for. It is believed, however, that with some modifications the model should be applicable to a moving tool also.

McClure, John C.↗