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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Compact forced simple-shear sample for studying shear localization in materials

In this paper, a new specimen geometry, the compact forced-simple-shear specimen (CFSS), has been developed as a means to achieve simple shear testing of materials over a range of temperatures and strain rates. The stress and strain state in the gage section is designed to produce essentially “pure” simple shear, mode II in-plane shear, in a compact-sample geometry. The 2-D plane of shear can be directly aligned along specified directional aspects of a material's microstructure of interest; i.e., systematic shear loading parallel, at 45°, and orthogonal to anisotropic microstructural features in a material such as the pancake-shaped grains typical in many rolled structural metals, or to specified directions in fiber-reinforced composites. Finally, the shear-stress shear-strain response and the damage evolution parallel and orthogonal to the pancake grain morphology in 7039-Al are shown to vary significantly as a function of orientation to the microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Helical spin ordering in room-temperature metallic antiferromagnet Fe 3 Ga 4

Metallic Fe 3 Ga 4 displays a complex magnetic phase diagram that supports an intermediate antiferromagnetic (AFM) helical spin structure (HSS) state at room temperature which lies between two ferromagnetic (FM) phases. Here, magnetic measurements along the three crystallographic axes were performed in order to develop a model for the temperature and field dependence of the HSS state. These results show that the AFM state is a helically ordered spiral propagating along the c-axis with the magnetic moments rotating in the ab-plane. Under applied magnetic field, the AFM state exhibits a metamagnetic transition to conical ordering before entering a fully field-polarized FM state at high fields. The conical ordering in the AFM state is anisotropic even within the ab-plane and may gives rise to Berry phase effects in transport measurements. Metallic conductivity from density of states computations was confirmed through resistivity measurements and no anomalous behavior was observed through the various magnetic transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Twin-mediated crystal growth: an enigma resolved

During crystal growth, faceted interfaces may be perturbed by defects, leading to a rich variety of polycrystalline growth forms. One such defect is the coherent Σ3 {111} twin boundary, which is widely known to catalyze crystal growth. These defects have a profound effect on the properties of many materials: for example, electron-hole recombination rates strongly depend on the character of the twin boundaries in polycrystalline Si photovoltaic cells. However, the morphology of the twinned interface during growth has long been a mystery due to the lack of four-dimensional (i.e., space and time resolved) experiments. Many controversial mechanisms have been proposed for this process, most of which lack experimental verification. Here, we probe the real-time interfacial dynamics of polycrystalline Si particles growing from an Al-Si-Cu liquid via synchrotron-based X-ray tomography. Our novel analysis of the time evolution of the interfacial normals allows us to quantify unambiguously the habit plane and grain boundary orientations during growth. This, when combined with direct measurements of the interfacial morphology provide the first confirmation of twin-mediated growth, proposed over 50 years ago. Using the insights provided by these experiments, we have developed a unified picture of the phenomena responsible for the dynamics of faceted Si growth.

Science & Technology - Other Topics↗
DOE OSTI2016

Characterization of Tubing from Advanced ODS alloy (FCRD-NFA1)

Fabrication methods are being developed and tested for producing fuel clad tubing of the advanced ODS 14YWT and FCRD-NFA1 ferritic alloys. Three fabrication methods were based on plastically deforming a machined thick-wall tube sample of the ODS alloys by pilgering, hydrostatic extrusion or drawing to decrease the outer diameter and wall thickness and increase the length of the final tube. The fourth fabrication method consisted of the additive manufacturing approach involving solid-state spray deposition (SSSD) of ball milled and annealed powder of 14YWT for producing thin-wall tubes. Of the four fabrication methods, two methods were successful at producing tubing for further characterization: production of tubing by high-velocity oxy-fuel spray forming and production of tubing using high-temperature hydrostatic extrusion. The characterization described shows through neutron diffraction the texture produced during extrusion while maintaining the beneficial oxide dispersion. In this research, the parameters for innovative thermal spray deposition and hot extrusion processing methods have been developed to produce the final nanostructured ferritic alloy (NFA) tubes having approximately 0.5 mm wall thickness. Effect of different processing routes on texture and grain boundary characteristics has been investigated. It was found that hydrostatic extrusion results in combination of plane strain and shear deformations which generate rolling textures of α- and γ-fibers on {001}<110> and {111}<110> together with a shear texture of ζ-fiber on {011}<211> and {011}<011>. On the other hand, multi-step plane strain deformation in cross directions leads to a strong rolling textures of θ- and ε-fiber on {001}<110> together with weak γ-fiber on {111}<112>. Even though the amount of the equivalent strain is similar, shear deformation leads to much lower texture indexes compared to the plane strain deformations. Moreover, while 50% of hot rolling brings about a large number of high-angle grain boundaries (HAB), 44% of shear deformation results in large amount of low-angle boundaries (LAB) showing the incomplete recrystallization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Subgrid Treatment of Spacer Grids in the 2D/1D Subplane Approach

Recent efforts have focused on improving the performance of the 2D/1D subplane implementation in MPACT. One of the developments recently added, presented here, focuses on treating spacer grids using a subgrid approach within each subplane, avoiding the extra computation and potentially improving stability issues that can be present by explicitly modeling the spacer grid with a separate MOC plane. From the cases analyzed, it seems that the approach does a sufficient job of maintaining the accuracy of explicitly meshing the spacer grid (<10 pcm and <1% max pin power error) while offering relatively modest performance gains. Overall, the success of the approach with spacer grids opens up possibilities to apply similar approaches to other structural components, particularly those in the axial reflectors to reduce the number of MOC planes and overall computational burden.

Stimpson, Shane G.↗
DOE OSTI2018

Z-Pinning Approach for Reducing Mechanical Anisotropy of 3D Printed Parts

The mechanical strength of extrusion-based printed parts is often greatly reduced (25-50%) in the build direction (z-direction) compared to the in-plane strength due to poor bonding between successively deposited layers. This effect can be magnified (75-90% difference) when depositing fiber-reinforced materials or larger print areas with long layer times. Therefore, a patent-pending approach has been developed that deposits material into intentionally aligned voids in the zdirection, allowing continuous material to span multiple layers. The “z-pinning” approach can be applied to several concepts for improving the interlaminar strength of extrusion-based 3D printed parts as well as techniques for applying the technology across a broad spectrum of deposition platforms and material systems. Initial experimental results demonstrate a significant improvement (>3x) in mechanical strength and (>8x) toughness for fiber reinforced components.

Duty, Chad↗
DOE OSTI2022

Unravelling the Nature of the Intrinsic Complex Structure of Binary‐Phase Na‐Layered Oxides

Abstract The layered sodium transition metal oxide, NaTMO 2 (TM = transition metal), with a binary or ternary phases has displayed outstanding electrochemical performance as a new class of strategy cathode materials for sodium‐ion batteries (SIBs). Herein, an in‐depth phase analysis of developed Na 1− x TMO 2 cathode materials, Na 0.76 Ni 0.20 Fe 0.40 Mn 0.40 O 2 with P2‐ and O3‐type phases (NFMO‐P2/O3) is offered. Structural visualization on an atomic scale is also provided and the following findings are unveiled: i) the existence of a mixed‐phase intergrowth layer distribution and unequal distribution of P2 and O3 phases along two different crystal plane indices and ii) a complete reversible charge/discharge process for the initial two cycles that displays a simple phase transformation, which is unprecedented. Moreover, first‐principles calculations support the evidence of the formation of a binary NFMO‐P2/O3 compound, over the proposed hypothetical monophasic structures (O3, P3, O′3, and P2 phases). As a result, the synergetic effect of the simultaneous existence of P‐ and O‐type phases with their unique structures allows an extraordinary level of capacity retention in a wide range of voltage (1.5–4.5 V). It is believed that the insightful understanding of the proposed materials can introduce new perspectives for the development of high‐voltage cathode materials for SIBs.

Paidi, Anil K.↗
DOE OSTI2021

Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions

Preconditioning is the most widely used and effective way for treating ill-conditioned linear systems in the context of classical iterative linear system solvers. We introduce a quantum primitive called fast inversion, which can be used as a preconditioner for solving quantum linear systems. The key idea of fast inversion is to directly block encode a matrix inverse through a quantum circuit implementing the inversion of eigenvalues via classical arithmetics. We demonstrate the application of preconditioned linear system solvers for computing single-particle Green's functions of quantum many-body systems, which are widely used in quantum physics, chemistry, and materials science. We analyze the complexities in three scenarios: the Hubbard model, the quantum many-body Hamiltonian in the plane-wave-dual basis, and the Schwinger model. We also provide a method for performing Green's function calculation in second quantization within a fixed-particle manifold and note that this approach may be valuable for simulation more broadly. Aside from solving linear systems, fast inversion also allows us to develop fast algorithms for computing matrix functions, such as the efficient preparation of Gibbs states. Furthermore, we introduce two efficient approaches for such a task, based on the contour-integral formulation and the inverse transform, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS 2

Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. In this paper, we present the growth of dispersed nanoscale gold islands on single layer MoS 2 , prepared on an inert SiO 2 /Si support by chemical vapor deposition. This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at submicron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS 2 . In particular, we find the gold density of states in Au/MoS 2 /SiO 2 /Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS 2 -support interactions within the nanometer-scale gold cluster. Theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5d z 2 symmetry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Development of a compact magnetic proton recoil spectrometer for measurement of deuterium-tritium neutrons

A new compact magnetic proton recoil (MPR) neutron spectrometer has been designed for precise measurement of deuterium-tritium (DT) neutrons. This design is presented emphasizing the magnetic analyzing system, which is based on a compact quadrupole-dipole (QD) electromagnet. The focal plane detector (FPD) is also discussed with respect to application for the next step. The characteristics of the MPR spectrometer were calculated by using Monte Carlo simulation. A preliminary experiment was performed to test the magnetic analyzing system and the proton images of the FPD. Since the QD electromagnet design allows for a larger foil thickness and solid angle to be utilized, the MPR spectrometer defined in this paper can achieve neutron detection efficiency more than 5 × 10{sup −7} at an energy resolution of 1.5% for measuring DT neutrons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

SU-F-I-49: Vendor-Independent, Model-Based Iterative Reconstruction On a Rotating Grid with Coordinate-Descent Optimization for CT Imaging Investigations

Purpose: Iterative reconstruction methods show promise for improving image quality and lowering the dose in helical CT. We aim to develop a novel model-based reconstruction method that offers potential for dose reduction with reasonable computation speed and storage requirements for vendor-independent reconstruction from clinical data on a normal desktop computer. Methods: In 2012, Xu proposed reconstructing on rotating slices to exploit helical symmetry and reduce the storage requirements for the CT system matrix. Inspired by this concept, we have developed a novel reconstruction method incorporating the stored-system-matrix approach together with iterative coordinate-descent (ICD) optimization. A penalized-least-squares objective function with a quadratic penalty term is solved analytically voxel-by-voxel, sequentially iterating along the axial direction first, followed by the transaxial direction. 8 in-plane (transaxial) neighbors are used for the ICD algorithm. The forward problem is modeled via a unique approach that combines the principle of Joseph’s method with trilinear B-spline interpolation to enable accurate reconstruction with low storage requirements. Iterations are accelerated with multi-CPU OpenMP libraries. For preliminary evaluations, we reconstructed (1) a simulated 3D ellipse phantom and (2) an ACR accreditation phantom dataset exported from a clinical scanner (Definition AS, Siemens Healthcare). Image quality was evaluated in the resolution module. Results: Image quality was excellent for the ellipse phantom. For the ACR phantom, image quality was comparable to clinical reconstructions and reconstructions using open-source FreeCT-wFBP software. Also, we did not observe any deleterious impact associated with the utilization of rotating slices. The system matrix storage requirement was only 4.5GB, and reconstruction time was 50 seconds per iteration. Conclusion: Our reconstruction method shows potential for furthering research in low-dose helical CT, in particular as part of our ongoing development of an acquisition/reconstruction pipeline for generating images under a wide range of conditions. Our algorithm will be made available open-source as “FreeCT-ICD”. NIH U01 CA181156; Disclosures (McNitt-Gray): Institutional research agreement, Siemens Healthcare; Past recipient, research grant support, Siemens Healthcare; Consultant, Toshiba America Medical Systems; Consultant, Samsung Electronics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Automated contact angle estimation for three-dimensional X-ray microtomography data

Multiphase flow in capillary regimes is a fundamental process in a number of geoscience applications. The ability to accurately define wetting characteristics of porous media can have a large impact on numerical models. In this paper, a newly developed automated three-dimensional contact angle algorithm is described and applied to high-resolution X-ray microtomography data from multiphase bead pack experiments with varying wettability characteristics. The algorithm calculates the contact angle by finding the angle between planes fit to each solid/fluid and fluid/fluid interface in the region surrounding each solid/fluid/fluid contact point. Results show that the algorithm is able to reliably compute contact angles using the experimental data. The in situ contact angles are typically larger than flat surface laboratory measurements using the same material. Furthermore, wetting characteristics in mixed-wet systems also change significantly after displacement cycles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Formation of an 18R long-period stacking ordered structure in rapidly solidified Mg{sub 88}Y{sub 8}Zn{sub 4} alloy

The formation of the long-period stacking ordered structure (LPSO) in a Mg{sub 88}Y{sub 8}Zn{sub 4}(at%) ribbon produced by melt spinning was studied using high energy X-ray synchrotron radiation diffraction during in-situ isochronal heating and transmission electron microscopy. The microstructure of the rapidly solidified ribbons is characterised by fine magnesium grains with yttrium and zinc in solid solution and primary 18R LPSO-phase segregated at grain boundaries. Using differential scanning calorimetry, a strong exothermal peak was observed around 300 °C which was associated with the development of the 18R-type LPSO-phase in the magnesium grains. The apparent activation energy calculated using the Kissinger model was 125 KJmol{sup −1} and it is related to simultaneous diffusion of Y and Zn through magnesium basal plane. - Highlights: •The formation of the LPSO phase in rapidly solidified ribbons was studied. •The formation of the 18R LPSO starts at around 300 °C. •LPSO formation have to steps: Stacking faults along basal plane and then growth of 18R structure along the c direction.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Textured Nanoporous Mo:BiVO4 Photoanodes with High Charge Transport and Charge Transfer Quantum Efficiencies for Oxygen Evolution

We have developed a simple spin coating method to make high-quality nanoporous photoelectrodes of monoclinic BiVO4 and studied the ability of these electrodes to transport photogenerated carriers to oxidize sulfite and water. Samples containing molybdenum and featuring [001] out-of-plane crystallographic texture show a photocurrent and external quantum efficiency (EQE) for sulfite oxidation as high as 3.1 mA cm-2 and 60%, respectively, at 1.23 V versus reversible hydrogen electrode. By using an optical model of the electrode stack to accurately determine the fraction of electrode absorptance due to the BiVO4 active layer, we estimate that on average 70 +/- 5% of all photogenerated carriers escape recombination. A comparison of internal quantum efficiency as a function of film processing, illumination direction, and film thickness shows that electron transport is efficient and hole transport limits the photocurrent (hole diffusion length <40 nm). We find that Mo addition primarily improves electron transport and texturing mostly improves hole transport. Mo enhances electron transport by thinning the surface depletion layer or passivating traps and recombination centers at grain boundaries and interfaces, while improved hole transport in textured films may result from more efficient lateral hole extraction due to the texturing itself or the reduced density of deep gap states observed in photoemission measurements. Photoemission data also reveal that the films have bismuth-rich, vanadium- and oxygen-deficient surface layers, while ion scattering spectroscopy indicates a Bi-V-O surface termination. Without added catalysts, the plain BiVO4 electrodes oxidized water with an initial photocurrent and peak EQE of 1.7 mA cm-2 and 30%, respectively, which equates to a hole transfer efficiency to water of >64% at 1.23 V. The electrodes quickly photocorrode during water oxidation but show good stability during sulfite oxidation and indefinite stability in the dark. By improving the hole transport efficiency and coating these nanoporous BiVO4 films with an appropriate protective layer and oxygen evolution catalyst, it should be possible to achieve highly efficient and stable water oxidation at a practical pH.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Alternate InP synthesis with aminophosphines: solution–liquid–solid nanowire growth

Indium phosphide nanowires are important components in high-speed electronics and optoelectronics, including photodetectors and photovoltaics. However, most syntheses either use high-temperature and costly vapor-phase methodology or highly toxic and pyrophoric tris(trimethylsilyl)phosphine. To expand on the success of the aminophosphine-based InP colloidal quantum dot synthesis, we developed a synthesis for thin (~11 nm) zinc blende InP nanowires at 180 °C using indium tris(trifluoroacetate) and tris(diethylamino)phosphine. A flat nanoribbon morphology was identified by transmission electron and atomic force microscopy analysis, with the stoichiometric (110) lattice plane exposed. Nanowire growth proceeded through a solution–liquid–solid mechanism from in situ-formed indium metal nanoparticles. Molecular byproducts of tris(oleylamino)phosphine oxide and N-oleyltrifluoroacetamide observed by 31 P and 19 F NMR spectroscopy inform a proposed mechanism of indium reduction by the aminophosphine. Morphological control over the nanowire product was achieved by varying the phosphorus injection to control the aspect ratio, the In : P ratio to toggle between nanowires and multipods, and the pre-hot injection evacuation step to favor a quantum dot product. Furthermore, replacing the indium precursor with indium tris(trifluoromethanesulfonate) was found to make bulk zinc blende InP nanowires with an average diameter of >250 nm and tens of microns in length.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Development of an Integrated Multidiagnostic to Assess the High-Z Impurity Fluxes in the Metallic Environment of WEST Using IMAS

WEST is an actively cooled, long-pulse tokamak with nearly all plasma-facing components (PFC) made of tungsten. One of the aims of WEST is to study plasma operations with tungsten PFCs in preparation for long-pulse operations on high-Z divertor devices, such as ITER. For long-pulse operation, the high-Z impurity content and transport to the core plasma are critical concerns that require further measurement and interpretation to improve plasma performance and PFC durability. This work details the impurity influxes in WEST during a series of discharges in which the lower hybrid (LH) injected power was incrementally increased. An analysis has been performed of measurements collected from an array of edge diagnostics. Visible spectroscopy was utilized to measure the spectral radiances generated by fuel particles (D) and impurities (W, O, and C) at the divertor and at the antennas with a newly developed spectral peak-fitting tool used to analyze the data in WEST. The scrape-off layer (SOL) plasma conditions (n e and T e ) measured at the divertor target with flush Langmuir probes and near the outer mid-plane (OMP) using reciprocating Langmuir probes (RCPs) are used to evaluate the number of ionizations per photons (S/XB) coefficients required to estimate the impurity fluxes obtained with the collisional-radiative model ColRadPy. Here, the array of edge diagnostics discussed in this work, coupled with SOL plasma modeling tools, represents a multidiagnostic interpretative modeling workflow that will continue to be applied to upcoming experimental campaigns on the WEST experiment to assess high-Z impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

A new method for isolating plasma interactions from those of the laser beam during plasma nitriding

Highlights: • Nitriding of titanium was studied using a laser sustained plasma (LSP) reactor, independent of the laser beam. • Nucleation and growth of faceted, dendritic, rectangular and particulate TiN morphologies was observed. • TiN layers up to 300 μm thick formed within 5 s - one of the most rapid TiN growth rates observed for LSP/laser nitriding. • LSP accessed novel microstructures compared to laser nitriding with or without surface-struck plasm plasma. - Abstract: A new method for separating the interactions of a laser plasma from those of a laser beam with a titanium substrate was developed. A laser-sustained plasma (LSP) was generated by striking the plasma on a titanium plate in a flowing nitrogen atmosphere at ambient pressure and subsequently removing the strike plate. The resultant nitrogen plasma was sustained indefinitely around the laser focal plane until the nitrogen gas flow and/or the laser power were switched off. The laser-sustained nitrogen plasma was then used as a “reactor” to study the effects of a nitrogen plasma, independent of the laser beam, when the plasma was brought into close proximity, (2 to 3 mm), parallel to a titanium substrate. There was no interaction of the parallel laser beam with the substrate. Heat, nitrogen and titanium were exchanged between the nitrogen LSP and substrate resulting in melting, nucleation and growth of faceted and dendritic TiN crystals, rectangular hollow TiN morphologies and particulate TiN deposits. Dense TiN layers up to 300 μm thick formed within 5 s. The results demonstrated that compositionally graded layers of nitrogen-enriched titanium, and titanium nitride could be formed very rapidly on model, commercially-pure titanium substrates, with promise for extension to commercial alloys such as Ti-6Al-4V.

36 MATERIALS SCIENCE↗
DOE OSTI2019

High-temperature superconductivity in monolayer Bi 2 Sr 2 CaCu 2 O 8+δ

Atomically-thin layered van der Waals crystals represent ideal material systems in the ultimate two-dimensional (2D) limit. The reduction in dimensionality fundamentally alters the electronic structure of the materials, often with profound consequences as best exemplified by the emergence of Dirac fermion in graphene. Vast opportunities exist in extending this top-down approach to other material systems. Among all layered materials, high-temperature superconductors stand out for their fundamental importance in material research, and for their potential impact on future technology. Experimental efforts obtaining intrinsic monolayers from bulk high-temperature superconductors, however, are faced with tremendous difficulties. Here, we developed a new fabrication process that enabled us to produce intrinsic monolayer crystals of high-temperature superconductor Bi 2 Sr 2 CaCu 2 O 8+δ (Bi-2212; here monolayer refers to a half unit cell that contains two CuO 2 planes). We discovered that the highest superconducting transition temperature, T c , of monolayer Bi-2212 is as high as that of optimally doped bulk. The lack of dimensionality effect on T c defies expectations from Mermin–Wagner theorem; it also sharply contrasts with much reduced T c in conventional superconductors in 2D limit. Being atomically thin, monolayer Bi-2212 offers unprecedented tunability over its doping and disorder level across the superconductor-insulator transition (SIT). Finite size scaling analysis at SIT reveals that the system belongs to two distinct universality classes, and provides a unified picture for disparate observations in cuprate systems. Finally, our results establish monolayer Bi-2212 as an ideal platform for studying high-temperature superconductivity (HTS) and other strongly correlated phenomena in 2D.

36 MATERIALS SCIENCE↗