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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Study on the crystallographic orientation relationship and formation mechanism of reversed austenite in economical Cr12 super martensitic stainless steel

Effect of carbides and crystallographic orientation relationship on the formation mechanism of reversed austenite of economical Cr12 super martensitic stainless steel (SMSS) has been investigated mainly by transmission electron microscopy (TEM) and electron backscatter diffraction (EBSD). The results indicate that the M{sub 23}C{sub 6} precipitation and the formation of the reversed austenite have the interaction effect during tempering process in SMSS. The reversed austenite forms intensively at the sub-block boundary and the lath boundary within a misorientation range of 0–60°. M{sub 23}C{sub 6} has the same crystallographic orientation relationship with reversed austenite. There are two different kinds of formation modes for reversed austenite. One is a nondiffusional shear reversion; the other is a diffusion transformation. Both are strictly limited by crystallographic orientation relationship. The austenite variants are limited to two kinds within one packet and five kinds within one prior austenite grain. - Highlights: • Reversed austenite forms at martensite boundaries with misorientation of 0–60° • M{sub 23}C{sub 6} precipitation and reversed austenite formation have the interaction effect. • Two austenite variants with different orientations can be formed inside a packet. • Two reversed austenite formation modes: shear reversion; diffusion transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Microscopic vertical orientation of nano-interspaced graphene architectures in deposit films as electrodes for enhanced supercapacitor performance

This paper reported a novel two-step process to fabricate high-performance supercapacitor films that contain microscale domains of nano-interspaced, re-stacked graphene sheets oriented perpendicular to the surface of current collector substrate, i.e., carbon fiber paper. In the two-step process, we first used ligand molecules to modify the surface of graphene oxide (GO) sheets and manipulate the interspacing between the re-stacked GO sheets. The ligand-modified GOs, i.e., m-GOs, were then reduced to obtain more conductive graphene (m-rGO), where X-ray diffraction measurement results indicated well-controlled interlayer spacing between the restacked m-rGO sheets up to 1 nm. The typical lateral dimension of the restacked m-rGO sheets were ~40 µm. Then, electrical field was introduced during m-rGO slurry deposition process to induce the vertical orientation of the m-rGO sheets/stacks in the film deposit. The direct current electrical field induced the orientation of the domains of m-rGO stacks along the direction perpendicular to the surface of deposit film, i.e., direction of electric field. Also, the applied electric field increased the interlayer spacing further, which should enhance the diffusion and accessibility of electrolyte ions. As compared with the traditionally deposited “control” films, the field-processed film deposits that contain oriented structure of graphene sheets/stacks have shown up to ~1.6 times higher values in capacitance (430 F/g at 0.5 A/g) and ~67% reduction in equivalent series resistance. Finally, the approach of using electric field to tailor the microscopic architecture of graphene-based deposit films is effective to fabricate film electrodes for high performance supercapacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Toward Continuous, Oriented Covalent Organic Framework Membranes for Precise Molecular Separations

The goal of achieving energy-efficient, precise molecular separations has motivated interest in developing and employing porous crystalline frameworks as membrane materials. Covalent organic frameworks (COFs) are ordered crystalline matrices composed of covalently bonded organic monomers and are synthesized via reversible reticular chemistry. COFs possess high porosity, structural tunability, and chemical and thermal stability, making them ideally suited for emerging, high-value membrane separation processes, such as ion separations, organic solvent nanofiltration, and gas separations. Although a range of COF membranes have been fabricated and tested in the past decade, these membranes are primarily polycrystalline, weakly crystalline, and/or discontinuous, resulting in suboptimal performance. In this review, we identify the properties that make COFs well-suited as membrane materials, while critically outlining the shortcomings of existing disordered COF membranes. We then highlight the recent emergence of highly crystalline, continuous, oriented two-dimensional COF membranes as a promising path forward for highly selective molecular separations. These continuous, oriented COF membranes exhibit tunable one-dimensional nanochannels, allowing for ultrafast molecular transport and precise species selectivity, thereby expanding the set of separations that can be practically achieved with membrane systems. We discuss synthesis and modification techniques that result in continuous, oriented COF membranes and evaluate the performance of such membranes for a variety of molecular separations. We conclude by identifying ongoing challenges in the development of COF membranes and outlining the future of their applications in molecular separations, which will necessarily rely on advancements in the synthesis of continuous, oriented membranes.

COF modification↗
DOE OSTI2026

Atomic Alignment in PbS Nanocrystal Superlattices with Compact Inorganic Ligands via Reversible Oriented Attachment of Nanocrystals

Nanocrystals (NCs) serve as versatile building blocks for the creation of functional materials with NC self-assembly offering opportunities to enable novel material properties. Here, in this work, we demonstrate that PbS NCs functionalized with strongly negatively charged metal chalcogenide complex (MCC) ligands, such as Sn 2 S 6 4– and AsS 4 3– , can self-assemble into all-inorganic superlattices with both long-range superlattice translational and atomic-lattice orientational order. Structural characterizations reveal that the NCs adopt an unexpected edge-to-edge alignment, and numerical simulation clarifies that orientational order is thermodynamically stabilized by many-body ion correlations originating from the dense electrolyte. Furthermore, we show that the superlattices of Sn 2 S 6 4– -functionalized PbS NCs can be fully disassembled back into the colloidal state, which is highly unusual for orientationally attached superlattices with atomic-lattice alignment. The reversible oriented attachment of NCs, enabling their dynamic assembly and disassembly into effectively single-crystalline superstructures, offers a pathway toward designing reconfigurable materials with adaptive and controllable electronic and optoelectronic properties.

Landau-Ginzburg theory↗
DOE OSTI2016

Orientation epitaxy of Ge 1–x Sn x films grown on single crystal CaF 2 substrates

Ge 1–x Sn x films were grown via physical vapor deposition below the crystallization temperature of Ge on single crystal (111) and (100) CaF 2 substrates to assess the role of Sn alloying in Ge crystallization. By studying samples grown at several growth temperatures ranging from 250 °C to 400 °C we report temperature-dependent trends in several of the films' properties. X-ray diffraction theta vs. two-theta (θ/2θ) scans indicate single orientation Ge 1–x Sn x (111) films are grown on CaF 2 (111) substrates at each temperature, while a temperature-dependent superposition of (111) and (100) orientations are exhibited in films grown on CaF2(100) above 250 °C. This is the first report of (111) oriented Ge 1–x Sn x grown on a (100) oriented CaF 2 substrate, which is successfully predicted by a superlattice area matching model. These results are confirmed by X-ray diffraction pole figure analysis. θ/2θ results indicate substitutional Sn alloying in each film of about 5%, corroborated by energy dispersive spectroscopy. In addition, morphological and electrical properties are measured by scanning electron microscopy, atomic force microscopy and Hall mobility measurements and are also shown to be dependent upon growth temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Relationship between orientation factor of lead zirconate titanate nanowires and dielectric permittivity of nanocomposites

The relationship between the orientation of lead zirconate titanate (PZT) nanowires dispersed in nanocomposites and the resulting dielectric constants are quantified. The orientation of the PZT nanowires embedded in a polymer matrix is controlled by varying the draw ratio and subsequently quantified using Herman's Orientation Factor. Consequently, it is demonstrated that the dielectric constants of nanocomposites are improved by increasing the orientation factor of the PZT nanowires. This technique is proposed to improve the dielectric constant of the nanocomposites without the need for additional filler volume fraction since the nanocomposites are utilized in a wide range of high dielectric permittivity electronic components.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Second harmonic generation in photonic crystal cavities in (111)-oriented GaAs

We demonstrate second harmonic generation at telecommunications wavelengths in photonic crystal cavities in (111)-oriented GaAs. We fabricate 30 photonic crystal structures in both (111)- and (100)-oriented GaAs and observe an increase in generated second harmonic power in the (111) orientation, with the mean power increased by a factor of 3, although there is a large scatter in the measured values. We discuss possible reasons for this increase, in particular, the reduced two photon absorption for transverse electric modes in (111) orientation, as well as a potential increase due to improved mode overlap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Prediction of particle orientation in simple upsetting process of NdFeB magnets

The magnetic properties of NdFeB magnets are strongly affected by crystallographic texture which is highly associated with particle orientation. This study proposed a method for predicting the particle orientation in the simple upsetting process of NdFeB magnets. The method is based on finite element simulation with flow net analysis. The magnets in a cylindrical form were compressed by two flat dies in a chamber filled with argon at 750°C. Three forming speeds were taken into account in order to obtain flow stress curves used in simulations. The micrographs of the cross sections of the deformed magnets show that the particle deformation significantly increases with the compression. The phenomenon was also predicted by the proposed method. Both simulated and experimental results show that the inhomogeneity of the texture of the NdFeB magnets can be increased by the simple upsetting process. The predicted particle orientations were in a good agreement with those examined in the deformed magnets. The proposed method for predicting particle orientations can also be used in other forming processes of NdFeB magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Interfacial band alignment and structural properties of nanoscale TiO{sub 2} thin films for integration with epitaxial crystallographic oriented germanium

We have investigated the structural and band alignment properties of nanoscale titanium dioxide (TiO{sub 2}) thin films deposited on epitaxial crystallographic oriented Ge layers grown on (100), (110), and (111)A GaAs substrates by molecular beam epitaxy. The TiO{sub 2} thin films deposited at low temperature by physical vapor deposition were found to be amorphous in nature, and high-resolution transmission electron microscopy confirmed a sharp heterointerface between the TiO{sub 2} thin film and the epitaxially grown Ge with no traceable interfacial layer. A comprehensive assessment on the effect of substrate orientation on the band alignment at the TiO{sub 2}/Ge heterointerface is presented by utilizing x-ray photoelectron spectroscopy and spectroscopic ellipsometry. A band-gap of 3.33 ± 0.02 eV was determined for the amorphous TiO{sub 2} thin film from the Tauc plot. Irrespective of the crystallographic orientation of the epitaxial Ge layer, a sufficient valence band-offset of greater than 2 eV was obtained at the TiO{sub 2}/Ge heterointerface while the corresponding conduction band-offsets for the aforementioned TiO{sub 2}/Ge system were found to be smaller than 1 eV. A comparative assessment on the effect of Ge substrate orientation revealed a valence band-offset relation of ΔE{sub V}(100) > ΔE{sub V}(111) > ΔE{sub V}(110) and a conduction band-offset relation of ΔE{sub C}(110) > ΔE{sub C}(111) > ΔE{sub C}(100). These band-offset parameters are of critical importance and will provide key insight for the design and performance analysis of TiO{sub 2} for potential high-κ dielectric integration and for future metal-insulator-semiconductor contact applications with next generation of Ge based metal-oxide field-effect transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Numerical approach of the injection molding process of fiber-reinforced composite with considering fiber orientation

One of the most important challenges in the injection molding process of the short-glass fiber/thermoplastic composite parts is being able to predict the fiber orientation, since it controls the mechanical and the physical properties of the final parts. Folgar and Tucker included into the Jeffery equation a diffusive type of term, which introduces a phenomenological coefficient for modeling the randomizing effect of the mechanical interactions between the fibers, to predict the fiber orientation in concentrated suspensions. Their experiments indicated that this coefficient depends on the fiber volume fraction and aspect ratio. However, a definition of the fiber interaction coefficient, which is very necessary in the fiber orientation simulations, hasn't still been proven yet. Consequently, this study proposed a developed fiber interaction model that has been introduced a fiber dynamics simulation in order to obtain a global fiber interaction coefficient. This supposed that the coefficient is a sum function of the fiber concentration, aspect ratio, and angular velocity. The proposed model was incorporated into a computer aided engineering simulation package C-Mold. Short-glass fiber/polyamide-6 composites were produced in the injection molding with the fiber weight concentration of 30 wt.%, 50 wt.%, and 70 wt.%. The physical properties of these composites were examined, and their fiber orientation distributions were measured by micro-computed-tomography equipment μ-CT. The simulation results showed a good agreement with experiment results.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Transport driven plasma flows in the scrape-off layer of ADITYA Tokamak in different orientations of magnetic field

Parallel plasma flows in the scrape-off layer of ADITYA tokamak are measured in two orientations of total magnetic field. In each orientation, experiments are carried out by reversing the direction of the toroidal magnetic field and the plasma current. The transport-driven component is determined by averaging flow Mach numbers, measured in two directions of the toroidal magnetic field and the plasma current for the same orientation. It is observed that there is a significant transport-driven component in the measured flow and the component depends on the field orientation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A study of the oriented composites with the conductive segregated structure obtained via solid-phase processing of the UHMWPE reactor powder mixed with the carbon nanofillers

Electrically conductive oriented polymer nano-composites of different compositions, based on the reactor powder of ultra-high-molecular-weight polyethylene (UHMWPE) with a special morphology, filled with particles of nanostructured graphite (NG), multi-walled carbon nanotubes (MWCNTs), and electrically conductive carbon black (CB), were investigated. Polymer composites were obtained via compaction of the mechanical mixture of the polymer and filler powder, followed by uniaxial deformation of the material under homogeneous shear (HS) conditions (all of the processing stages were conducted at room temperature). Resulted composites possess a high tensile strength, high level of the electrical conductivity and low percolation threshold, owing it to the formation of the segregated conductive structure, The influence of the type of nanosized carbon filler, degree of the deformation under HS condition, temperature and etc. on the electrical conductivity and mechanical properties of strengthened conductive composites oriented under homogeneous shear conditions was investigated. Changes in the electrical conductivity of oriented composite materials during reversible “tension–shrinkage” cycles along the orientation axis direction were studied. A theoretical approach, describing the process of transformation of the conductive system as a response on polymer phase deformation and volume change, was proposed, based on the data received from the analysis of the conductivity behavior during the uniaxial deformation and thermal treatment of composites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

TOWARD AN EMPIRICAL THEORY OF PULSAR EMISSION. XI. UNDERSTANDING THE ORIENTATIONS OF PULSAR RADIATION AND SUPERNOVA “KICKS”

Two entwined problems have remained unresolved since pulsars were discovered nearly 50 yr ago: the orientation of their polarized emission relative to the emitting magnetic field and the direction of putative supernova “kicks” relative to their rotation axes. The rotational orientation of most pulsars can be inferred only from the (“fiducial”) polarization angle of their radiation, when their beam points directly at the Earth and the emitting polar fluxtube field is ∥ to the rotation axis. Earlier studies have been unrevealing owing to the admixture of different types of radiation (core and conal, two polarization modes), producing both ∥ or ⊥ alignments. In this paper we analyze some 50 pulsars having three characteristics: core radiation beams, reliable absolute polarimetry, and accurate proper motions (PMs). The “fiducial” polarization angle of the core emission, we then find, is usually oriented ⊥ to the PM direction on the sky. The primary core emission is polarized ⊥ to the projected magnetic field in Vela and other pulsars where X-ray imaging reveals the orientation. This shows that the PMs usually lie ∥ to the rotation axes on the sky. Two key physical consequences then follow: first, to the extent that supernova “kicks” are responsible for pulsar PMs, they are mostly ∥ to the rotation axis; and, second, most pulsar radiation is heavily processed by the magnetospheric plasma such that the lowest altitude “parent” core emission is polarized ⊥ to the emitting field, propagating as the extraordinary (X) mode.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement

A new approach is presented that allows the efficient localization and orientation of heavy-atom cluster compounds used in experimental phasing by a molecular replacement procedure. This permits the calculation of meaningful phases up to the highest resolution of the diffraction data. Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradecabromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation

The energy-dispersive neutron spectra transmitted through single crystals are characterized by sharp Bragg dips at specific wavelengths, where Bragg's law is being fulfilled for certain crystallographic planes. This phenomenon allows for developing methods for crystal-orientation determination techniques similar to electron backscatter diffraction and X-ray diffraction microscopy. This work presents a new procedure to recover the orientation matrix for single crystals using transmission spectra recorded during rotation of a crystal about an axis perpendicular to a polychromatic neutron beam. The proposed method consists of an initial transformation of the as-collected wavelength–rotation maps to a wavevector $\textit{K}$ space, resulting in linear pseudo-Kossel lines that are suitable for analysis and indexing using image-processing procedures. Further, simulated neutron transmission spectra through a copper crystal with known orientations were used to set and prove the numerical approach. This technique may be expanded for cases where the neutron beam intersects multiple single-crystal grains with different orientations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Engineering Controlled Spalling in (100)-Oriented GaAs for Wafer Reuse

Controlled spalling offers a way to cleave thin, single-crystal films or devices from wafers, particularly if the fracture planes in the material are oriented parallel to the wafer surface. Unfortunately, misalignment between the favored fracture planes and the wafer surface preferred for photovoltaic growth in (100)-oriented GaAs produces a highly faceted surface when subject to controlled spalling. This highly faceted cleavage surface is problematic in several ways: (1) it can result in large variations of spall depth due to unstable crack propagation; (2) it may introduce defects into the device zone or underlying substrate; and (3) it consumes many microns of material outside of the device zone. We present the ways in which we have engineered controlled spalling for (100)-oriented GaAs to minimize these effects. We expand the operational window for controlled spalling to avoid spontaneous spalling, find no evidence of dislocation activity in the spalled film or the parent wafer, and reduce facet height and facet height irregularity. Resolving these issues provides a viable path forward for reducing III-V device cost through the controlled spalling of (100)-oriented GaAs devices and subsequent wafer reuse when these processes are combined with a high-throughput growth method such as Hydride Vapor Phase Epitaxy.

100 orientation↗
DOE OSTI2015

Growth of twin-free b-oriented YBa{sub 2}Cu{sub 3}O{sub 7} {sub −x} films

YBa{sub 2}Cu{sub 3}O{sub 7−x} films of b orientation have been grown on the surface of (100)SrLaGaO{sub 4} crystal. It is demonstrated that the films pass to the superconducting state at a temperature of 89 K. In the nonsuper-conducting region, the film resistance decreases linearly with a decrease in temperature at a rate of 30 Ω per 100°C. According to the X-ray diffraction data on the crystallographic structure of the YBa{sub 2}Cu{sub 3}O{sub 7−x} films, they are single-crystal and b-oriented. It is shown that the films contain no domains of other crystallographic orientations, including a-oriented domains. Therefore, the films are free of structural twins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Tailoring Vanadium Dioxide Film Orientation Using Nanosheets: a Combined Microscopy, Diffraction, Transport, and Soft X‐Ray in Transmission Study

Abstract Vanadium dioxide (VO 2 ) is a much‐discussed material for oxide electronics and neuromorphic computing applications. Here, heteroepitaxy of VO 2 is realized on top of oxide nanosheets that cover either the amorphous silicon dioxide surfaces of Si substrates or X‐ray transparent silicon nitride membranes. The out‐of‐plane orientation of the VO 2 thin films is controlled at will between (011) M1 /(110) R and (−402) M1 /(002) R by coating the bulk substrates with Ti 0.87 O 2 and NbWO 6 nanosheets, respectively, prior to VO 2 growth. Temperature‐dependent X‐ray diffraction and automated crystal orientation mapping in microprobe transmission electron microscope mode (ACOM‐TEM) characterize the high phase purity, the crystallographic and orientational properties of the VO 2 films. Transport measurements and soft X‐ray absorption in transmission are used to probe the VO 2 metal–insulator transition, showing results of a quality equal to those from epitaxial films on bulk single‐crystal substrates. Successful local manipulation of two different VO 2 orientations on a single substrate is demonstrated using VO 2 grown on lithographically patterned lines of Ti 0.87 O 2 and NbWO 6 nanosheets investigated by electron backscatter diffraction. Finally, the excellent suitability of these nanosheet‐templated VO 2 films for advanced lensless imaging of the metal–insulator transition using coherent soft X‐rays is discussed.

Le, Phu Tran Phong↗