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At least 1,621 records · Page 90

Intermediate phases in sodium intercalation into MoS 2 nanosheets and their implications for sodium-ion batteries

Alkali metal ion intercalation into layered transition-metal dichalcogenide structures is a promising approach to make next generation rechargeable batteries for energy storage. It has been noted that the number of Na-ions which can be reversibly intercalated and extracted per MoS 2 is limited, and the chemical and electrochemical processes/mechanisms remain largely unknown, especially for nano-sized materials. Here, in this study, sodiation of MoS 2 nanosheets are studied by in-situ electron diffraction and the phase transformations in sodiation are identified with the aid of DFT calculations to reveal the reaction mechanism. Several thermodynamically stable/metastable structures are identified in the sodiation pathway of MoS 2 nanosheets, previously unnoticed in bulk MoS 2 . The gradual reduction of Mo 4+ upon Na-ion intercalation leads to a transition of the Mo-S polyhedron from a trigonal prism to an octahedron around 0.375 Na per MoS 2 inserted (i.e. Na 0.375 MoS 2 ). When the intercalated Na-content is larger than 1.75 per MoS 2 structural unit (i.e. Na 1.75 MoS 2 ), the MoS 2 layered structure collapses and the intercalation reaction is replaced by an irreversible conversion reaction with the formation of Na 2 S and metal Mo nanoparticles. The calculated sodiation pathways reproduce the experimental sodiation voltages. The current observations provide useful insights in developing sodium-ion batteries with high cycling stability.

25 ENERGY STORAGE↗

Development of sputtered techniques for thrust chambers

Techniques and materials were developed and evaluated for the fabrication and coating of advanced, long life, regeneratively cooled thrust chambers. Materials were analyzed as fillers for sputter application of OFHC copper as a closeout layer to channeled inner structures; of the materials evaluated, aluminum was found to provide the highest bond strength and to be the most desirable for chamber fabrication. The structures and properties were investigated of thick sputtered OFHC copper, 0.15 Zr-Cu, Al2O3,-Cu, and SiC-Cu. Layered structures of OFHC copper and 0.15 Zr-Cu were investigated as means of improving chamber inner wall fatigue life. The evaluation of sputtered Ti-5Al-2.5Sn, NASA IIb-11, aluminum and Al2O3-Al alloys as high strength chamber outer jackets was performed. Techniques for refurbishing degraded thrust chambers with OFHC copper and coating thrust chambers with protective ZrO2 and graded ZrO2-copper thermal barrier coatings were developed.

Mullaly, J. R.↗

The effect of a shallow low-viscosity zone on the mantle flow, the geoid anomalies and the geoid and depth-age relationships at fracture zones

A two-dimensional FEM is used to investigate the flow driven by the horizontal temperature gradient at a fracture zone and to calculate the resulting geoid and topography anomalies. Using a three-layered viscosity structure for the upper mantle, results are presented for the effects of varying: (1) the viscosity contrast between the fluid layers: (2) the Rayleigh number based on the viscosity of the bottom layer; and (3) the thickness of the low-viscosity channel. Good agreement is obtained with the results of geoid anomalies over the Udintsev fracture zone when the viscosity of the top layer is greater than one order of magnitude less than post-glacial rebound values.

Robinson, Elizabeth M.↗

Organometallic chemical vapor deposition and characterization of ZnGeP2/GaP multiple heterostructures on GaP substrates

The growth of ZnGeP2/GaP double and multiple heterostructures on GaP substrates by organometallic chemical vapor deposition is reported. These epitaxial films were deposited at a temperature of 580 C using dimethylzinc, trimethylgallium, germane, and phosphine as source gases. With appropriate deposition conditions, mirror smooth epitaxial GaP/ZnGeP2 multiple heterostructures were obtained on (001) GaP substrates. Transmission electron microscopy (TEM) and secondary ion mass spectroscopy (SIMS) studies of the films showed that the interfaces are sharp and smooth. Etching study of the films showed dislocation density on the order of 5x10(exp 4)cm(sup -2). The growth rates of the GaP layers depend linearly on the flow rates of trimethylgallium. While the GaP layers crystallize in zinc-blende structure, the ZnGeP2 layers crystallize in the chalcopyrite structure as determined by (010) electron diffraction pattern. This is the first time that multiple heterostructures combining these two crystal structures were made.

Xing, G. C.↗

Low-Outgassing Photogrammetry Targets for Use in Outer Space

A short document discusses an investigation of materials for photogrammetry targets for highly sensitive optical scientific instruments to be operated in outer space and in an outer-space-environment- simulating thermal vacuum chamber on Earth. A key consideration in the selection of photogrammetry-target materials for vacuum environments is the need to prevent contamination that could degrade the optical responses of the instruments. Therefore, in addition to the high levels and uniformity of reflectivity required of photogrammetry-target materials suitable for use in air, the materials sought must exhibit minimal outgassing. Commercially available photogrammetry targets were found to outgas excessively under the thermal and vacuum conditions of interest; this finding prompted the investigators to consider optically equivalent or superior, lower-outgassing alternative target materials. The document lists several materials found to satisfy the requirements, but does not state explicitly whether the materials can be used individually or must be combined in the proper sequence into layered target structures. The materials in question are an aluminized polyimide tape, an acrylic pressure- sensitive adhesive, a 500-A-thick layer of vapor-deposited aluminum, and spherical barium titanate glass beads having various diameters from 20 to 63 microns..

Gross, Jason N.↗

A case study of cumulus formation beneath a stratocumulus sheet: Its structure and effect on boundary layer budgets

On several occasions during the FIRE Marine Stratocumulus IFO off the California coast, small cumulus were observed to form during the morning beneath the main stratocumulus (Sc) deck. This occurs in the type of situation described by Turton and Nicholls (1987) in which there is insufficient generation of turbulent kinetic energy (TKE) from the cloudtop or the surface to sustain mixing throughout the layer, and a separation of the surface and cloud layers occurs. The build up of humidity in the surface layer allows cumuli to form, and the more energetic of these may penetrate back into the Sc deck, reconnecting the layers. The results presented were collected by the UKMO C-130 aircraft flying in a region where these small cumulus had grown to the extent that they had penetrated into the main Sc deck above. The structure of these penetrative cumulus are examined and their implications on the layer flux and radiation budget discussed.

Barlow, Roy W.↗

Structure of Cu/Ni Nanowires Obtained by Matrix Synthesis

The structure of layered Cu/Ni nanowires obtained by template synthesis in 100-nm channels of track membranes has been investigated by transmission and scanning electron microscopy. The phase composition and main structural features of individual nanowires are determined. It is shown that nanowires consist of alternating Ni (Fm3m) and Cu (Fm3m) layers with grains up to 100 nm in size. It is found that nanowires contain also copper oxide crystallites up to 20 nm in size. The elemental composition of individual layers and their mutual arrangement are determined.

36 MATERIALS SCIENCE↗

Use of passive scalar tagging for the study of coherent structures in the plane mixing layer

Data obtained from the numerical simulation of a 2-D mixing layer were used to study the feasibility of using the instantaneous concentration of a passive scalar for detecting the typical coherent structures in the flow. The study showed that this technique works quite satisfactorily and yields results similar to those that can be obtained by using the instantaneous vorticity for structure detection. Using the coherent events educed by the scalar conditioning technique, the contribution of the coherent events to the total turbulent momentum and scalar transport was estimated. It is found that the contribution from the typical coherent events is of the same order as that of the time-mean value. However, the individual contributions become very large during the pairing of these structures. The increase is particularly spectacular in the case of the Reynolds shear stress.

Ramaprian, B. R.↗

Optical sensor employing a refractive index engineered metal oxide material

An optical sensor device includes an optical waveguide portion having a core, the core having a first refractive index, and a functional material layer coupled to the optical fiber portion, the functional material layer being made of a metal oxide material, the functional material layer being structured to have a second refractive index, the second refractive index being less than the first refractive index. The functional material layer may be a nanostructure material comprising the metal oxide material with a plurality of holes or voids formed therein such that the functional material layer is caused to have the second refractive index.

36 MATERIALS SCIENCE↗

Optical sensor employing a refractive index engineered metal oxide material

An optical sensor device includes an optical waveguide portion having a core, the core having a first refractive index, and a functional material layer coupled to the optical fiber portion, the functional material layer being made of a metal oxide material, the functional material layer being structured to have a second refractive index, the second refractive index being less than the first refractive index. The functional material layer may be a nanostructure material comprising the metal oxide material with a plurality of holes or voids formed therein such that the functional material layer is caused to have the second refractive index.

Chen, Peng↗

The Solar-Stellar Connection (NAG5-6124: SOHO Guest Investigator Program)

The following is a final report from the SOHO Guest Investigator program to use the SUMER far-UV spectrometer to obtain imaging spectroscopy in support of the goals of the so-called "solar-stellar connection." In particular, a major emphasis was utilization of the long-slit time-resolved maps of the solar surface in bright far-UV emission lines to deduce how particular aspects of the temporally and spatially averaged line profiles trace back to individual structural features of the magnetically disturbed outer atmosphere; to help interpret the unresolved line profiles from high quality stellar observations (say, with the Space Telescope Imaging Spectrograph). The researchers served two tours of duty in the SOHO Operations Center as SUMER planners, during which time we conducted an extensive series of observing programs. These can be divided into three general categories: surface mapping, translimb spectroscopy, and active region diagnostics. We have analyzed some of the large volumes of data to the point where we have presented them in poster papers, and in invited papers at national and international meetings. Listed below are the titles of the preliminary publications we have written, including brief abstracts to indicate the main results. (1) Chromospheric structure and Dynamics-- Observations -- The chromosphere is a highly structured dynamic 'layer' of the solar outer atmosphere. Here, not only are the effects of mechanical heating first evident (moving upward in altitude from the deep photosphere), but also the amount of nonradiative energy deposited is far greater than in the albeit much hotter overlying transition region and corona. Further, the chromosphere is by far the thickest zone of the solar atmosphere with respect to the pressure scale height. A major goal of stellar astrophysics is to understand how the chromosphere is heated and why it adopts its peculiar structure. A cursory examination of solar filtergrams and high-resolution movies demonstrates that much of the chromospheric "action" must be occurring on fine spatial scales and short times; particularly in the cell interior transient brightenings, but also in the longer-lived network fragments. That regime of investigation is far removed from what one usually associates with "synoptic" measurements. Nevertheless, synoptic observations of chromospheric indices, filtergrams, and globally-averaged profile parameters not only can provide important insight concerning the crucial role of the cycle-variable part of the solar magnetic field; but they also can forge a key link with analogous measurements of the stars, where often the phenomena can be significantly exaggerated from the solar case, but high spatial resolution reconnaissance is not even a remote possibility. In addition to discussing the synoptic aspects of chromospheric structure and dynamics, I summarized new insights into the general problem of the solar chromosphere that have been obtained recently with the SUMER far-ultraviolet spectrometer on SOHO. (2) CO and the Temperature Structure of the Solar Atmosphere -- The surface layers of the Sun provide a crucial boundary condition for many of the processes that occur in the deep interior. The stratification of the outer solar atmosphere once was thought to be well understood. However, studies of thermally sensitive molecular absorptions in the infrared revealed puzzling anomalies. Strong lines of the CO fundamental vibration-rotation bands near 5 microns showed very cool temperatures at the extreme limb, and remarkable off-limb emissions extending well into the supposedly hot chromosphere. The conflicting pictures of the photosphere/chromosphere interface, from the widely separated wavelength regimes, has raised suspicions that those "layers" of the atmosphere are much more inhomogeneous than previously suspected. One proposal is that the low chromosphere is dominated by cool gas, the "COmosphere," which is threaded by a network of persistent small-scale hot magnetic filaments and occasionally disrupted by localized acoustic disturbances. The COmosphere is capped by the merged fields of the network elements in the chromospheric "canopy." (3) Translimb Spectroscopy with SOHO/SUMER -- We have used SUMER to obtain deep exposures of the 1300-1400 A spectrum, at the extreme limb and off-limb. Previous "translimb" studies in the thermal infrared had revealed remarkable extensions of cold material (T is approximately equal to 3000 K)-traced by carbon monoxide emission lines-into the heart of the hot chromosphere. A main objective of our program was to search for corresponding far-UV signatures of the "thermally-bifurcated" low chromosphere; for example, radiatively fluoresced emissions of the CO A-X 4th-positive system (collisional excitation would be negligible in cold gas). We conducted two separate observing programs with SUMER. Both made use of the 1 inch-diameter circular aperture, translated across the limb in the minimum motor step increments of 0."375, along the central meridian in the Northern polar coronal hole. The first program executed for nine hours beginning 19UT 25 Oct 1996. The full wavelength range was 1340-1400 A. It was recorded in two overlapping segments, placing key regions of the spectrum alternately on the KBr and bare parts of the detector, to help isolate 2nd-order features. Each segment was integrated for 500 s, and 32 pairs were obtained to span a 12" swath centered on the optical limb. The second program was conducted 00-09UT 01 Dec 1996. It consisted of a single wavelength setting (1300-1340 A) with exposure time 500 s, but twice the spatial coverage of the earlier series: 64 steps, for a total displacement of 24". The strong chromospheric resonance lines of atomic oxygen (1302-1305 A) and ionized carbon (1334-1335 A) were observed on the bare part of the MCP camera.

Ayres, Thomas R.↗

Layer-by-Layer Analysis of the Thickness Distribution of Silicon Dioxide in the Structure SiO{sub 2}/Si(111) by Inelastic Electron Scattering Cross-Section Spectroscopy

The SiO{sub 2}-concentration profile in the structure SiO{sub 2}/Si(111) is determined from experimental spectra of the cross section for the inelastic scattering of reflected electrons in the primary electron energy range from 300 to 3000 eV. The spectra are analyzed with the use of a proposed algorithm and developed computer program for simulating the spectra of the cross section for the inelastic scattering of reflected electrons for layered structures with an arbitrary number of layers, arbitrary thickness, and variable concentration of components in each layer. The best agreement between the calculated and experimental spectra is attained by varying the silicon dioxide and silicon concentrations in each layer. The results obtained can be used for profiling film-substrate structures with an arbitrary composition.

36 MATERIALS SCIENCE↗

Ambient‐Pressure Relithiation of Degraded Li x Ni 0.5 Co 0.2 Mn 0.3 O 2 (0 < x < 1) via Eutectic Solutions for Direct Regeneration of Lithium‐Ion Battery Cathodes

Abstract With the rapid growth of the lithium‐ion battery (LIBs) market, recycling and re‐use of end‐of‐life LIBs to reclaim lithium (Li) and transition metal (TM) resources (e.g., Co, Ni), as well as eliminating pollution from disposal of waste batteries, has become an urgent task. Here, for the first time the ambient‐pressure relithiation of degraded LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) cathodes via eutectic Li + molten‐salt solutions is successfully demonstrated. Combining such a low‐temperature relithiation process with a well‐designed thermal annealing step, NCM523 cathode particles with significant Li loss (≈40%) and capacity degradation (≈50%) can be successfully regenerated to achieve their original composition and crystal structures, leading to effective recovery of their capacity, cycling stability, and rate capability to the levels of the pristine materials. Advanced characterization tools including atomic resolution electron microscopy imaging and electron energy loss spectroscopy are combined to demonstrate that NCM523's original layered crystal structure is recovered. For the first time, it is shown that layer‐to‐rock salt phase change on the surfaces and subsurfaces of the cathode materials can be reversed if lithium can be incorporated back to the material. The result suggests the great promise of using eutectic Li + molten–salt solutions for ambient‐pressure relithiation to recycle and remanufacture degraded LIB cathode materials.

Shi, Yang↗

Electronic structure calculations of twisted multi-layer graphene superlattices

Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and studied, a systematic investigation of the properties of arbitrarily layered graphene assemblies is still lacking. We introduce theoretical concepts and methods for the processing of materials information, and as a case study, apply them to investigate the electronic structure of multi-layer graphene-based assemblies in a high-throughput fashion. We provide a critical discussion of patterns and trends in tight binding band structures and we identify specific layered assemblies using low-dispersion electronic bands as indicators of potentially interesting physics like strongly correlated behavior. A combination of data-driven models for visualization and prediction is used to intelligently explore the materials space. This work more generally aims to increase confidence in the combined use of physics-based and data-driven modeling for the systematic refinement of knowledge about 2D layered materials, with implications for the development of novel quantum devices.

36 MATERIALS SCIENCE↗

Nanostructure, structural stability, and diffusion characteristics of layered coatings for heat-assisted magnetic recording head media

The intense laser heating in heat-assisted magnetic recording (HAMR) has been a major hindrance to HAMR technology from becoming commercially viable. Thermal damage of the near-field transducer (NFT) and write pole (WP) embedded in the trailing edge of the magnetic head due to failure of the protective carbon overcoat after prolonged heating at an elevated temperature are major obstacles. Therefore, the main objective of this study was to develop an effective coating method for HAMR heads. This was accomplished by introducing a new class of layered coatings consisting of ultrathin amorphous carbon (a-C) overcoat, adhesion (SiN) layer, and buffer (NiCr or TaO x ) layer sequentially deposited onto Au and FeCo base layers to mimic the layer stacking of NFT and WP elements, respectively. The structural stability of the a-C overcoats and diffusion characteristics of each comprising layer under conditions of heating at 350°C for 30 min in an Ar atmosphere were investigated by high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), and electron energy loss spectroscopy (EELS). For most stacking configurations the HRTEM/STEM and EELS results generally revealed some layer intermixing and minute carbon atom rehybridization in the heated a-C overcoats. The findings of this investigation suggest that further optimization of the developed layered coatings can provide a viable solution to thermal damage of HAMR heads.

Science & Technology - Other Topics↗

Investigation of Coincidence Counting for Improving Minimal Detectable Activity of 110m Ag in Single Particle Gamma Analysis

Post-irradiation examination (PIE) of fuel particles from the fourth Advanced Gas Reactor Fuel Development and Qualification (AGR) Program irradiation (AGR-5/6/7) is being performed at Oak Ridge National Laboratory (ORNL). Tristructural isotropic (TRISO)-coated particles and associated compacts for the AGR-5/6/7 experiment fabricated by BWX Technologies Nuclear Operations Group were formed into a graphite matrix compact and irradiated at the Advanced Test Reactor at Idaho National Laboratory. At ORNL, particles are deconsolidated from the graphite matrix compact and individually scanned for emitted gamma rays with the Irradiated Microsphere Gamma Analyzer (IMGA). The IMGA system comprises a single high purity germanium (HPGe) detector, an automated particle handling vacuum system, and an ORTEC DSPEC-50 digital spectrometer for gamma ray analysis. IMGA quantifies gamma ray-emitting fission product inventories of individual TRISO particles, and these inventories can be compared with the measured average inventories per particle and radionuclide inventories predicted by AGR-5/6/7 physics calculations to determine if a particle experienced radionuclide release. Details on IMGA data collection methods can be found in the literature. The TRISO particle’s SiC layer provides structural support, as well as a barrier for fission product release during irradiation or subsequent safety testing. A weakened or compromised SiC layer can be identified by the release of radionuclides, such as 137 Cs, which is detected by IMGA. However, select radionuclides, such as 90 Sr, 110 mAg, and 154 Eu have been shown to migrate through an intact SiC layer. Measurement of the radionuclide 110 mAg is significant as its release has been shown to be particularly sensitive to in-reactor conditions (e.g., temperature) with broad variable particle to-particle release behaviors observed within a single compact. As such, 110 mAg activity is often used for particle selection for comprehensive PIE as bounding 110 mAg retention particles are hypothesized to represent limits in particle behaviors within a compact. As TRISO particle fuel PIE activities continue over time, IMGA measurements of the 110 mAg inventory are eventually hindered because of its relatively short half-life (~250 days). As the fuel ages from its end of irradiation (EOI) date, the measurement uncertainty and minimum detectable activity (MDA) of 110m Ag increase because the detector background continuum begins to dominate. For particles from the second AGR irradiation experiment (AGR-2), the 110m Ag MDA was above 20% of the calculated average particle inventory after approximately five half-lives, and 110m Ag activity was no longer measurable with IMGA after approximately seven half-lives. Therefore, coincidence counting approaches have been explored to determine feasibility of leveraging new approaches to overcome limitations associated with increasing MDA over time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Collapsible Cryogenic Storage Vessel Project

Collapsible cryogenic storage vessels may be useful for future space exploration missions by providing long-term storage capability using a lightweight system that can be compactly packaged for launch. Previous development efforts have identified an 'inflatable' concept as most promising. In the inflatable tank concept, the cryogen is contained within a flexible pressure wall comprised of a flexible bladder to contain the cryogen and a fabric reinforcement layer for structural strength. A flexible, high-performance insulation jacket surrounds the vessel. The weight of the tank and the cryogen is supported by rigid support structures. This design concept is developed through physical testing of a scaled pressure wall, and through development of tests for a flexible Layered Composite Insulation (LCI) insulation jacket. A demonstration pressure wall is fabricated using Spectra fabric for reinforcement, and burst tested under noncryogenic conditions. An insulation test specimens is prepared to demonstrate the effectiveness of the insulation when subject to folding effects, and to examine the effect of compression of the insulation under compressive loading to simulate the pressure effect in a nonrigid insulation blanket under the action atmospheric pressure, such as would be seen in application on the surface of Mars. Although pressure testing did not meet the design goals, the concept shows promise for the design. The testing program provides direction for future development of the collapsible cryogenic vessel concept.

Fleming, David C.↗

A Design Methodology for Optimizing and Integrating Composite Materials in Gear Structures

The application of composite materials to gear structures is complex because of the gear shape, the need for precise dimensional tolerances, and the complex dynamic load condition. Methods are presented in this work to design and optimize an integrated composite hub-web structure that can be used as part of a hybrid composite-steel gear. The composite hub-web structure is a planar structure with a large decrease in thickness from the hub to the rim. Methods for design and optimization of this variable-thickness structure are presented along with a method for forming braided prepreg material to conform to the shape of this structure. A layered approach is presented that integrates cut plies or filler materials for thickness buildup with continuous-fiber layers for the primary load path. An additional gear design concept is presented that has an axially extended continuous-fiber composite structure that can be combined with the planar structure. A proposed optimization methodology is introduced where an optimized design is output for each type of optimization simulation. Through this process, composite knowledge can be incorporated in the optimization, and more control is given over the design during the process. The methods in this study provide a tool for designing and optimizing composite structures for gears and other high-power-density applications.

optimization↗