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At least 1,153 records · Page 64

Optimized Al Doping Improves Both Interphase Stability and Bulk Structural Integrity of Ni-Rich NMC Cathode Materials

Ni-rich layered transition metal oxide (NMC, LiNi1-x-yMxCoyO2, 1 – x – y = 0.6) is promising for high-energy-density lithium-ion batteries, but its large-scale application is still hindered by several technical challenges, including secondary particle cracking, interfacial instability, and cell degassing during cycling. Here, we report a facile wet-chemical method to modify both the surface and the bulk of the LiNi0.76Mn0.14Co0.10O2 (NMC76) cathode with Al doping to effectively improve the structural/interfacial stability of the cathode, and hence its long-term cycling capability. With only 1 mol% Al doping, the Al-NMC76 electrode delivers a good capacity retention of 79.2% after 500 cycles at a high voltage limit of 4.5 V, which is far better than those of undoped NMC76 under the similar condition. The enhanced performance can be attributed to the Al doping in the NMC76, which not only strengthens the bulk structural stability through doping into the lattice, but also suppresses acidic attack from the electrolyte through altered surface structure of NMC76.

Al doping, capacity retention, high voltage, elect↗

Erratum: Review—Materials Science Predictions of Thermal Runaway in Layered Metal-Oxide Cathodes: A Review of Thermodynamics [ J. Electrochem. Soc. , 167, 090543 (2020)]

It was found that corrections are required for the published article cited in the title of this document. A revised Table VII is shown below, in which the values for S (entropy of the liquid solvents) have been corrected for consistency with the original sources. No corrections were required for the enthalpies, but they are included for completeness. The cited references and table footnotes found in the originally published version of Table VII remain applicable.

Shurtz, Randy C. [Sandia National Laboratories (SN↗

Building Artificial Layered Solids from the Bottom-up: Materials by Design to Enable New Energy Technologies

This final technical report summarizes the key accomplishments on this DOE Early Career Program award received by PI Guihua Yu at the University of Texas at Austin. The main goal of this ECP award was to develop synthetic methodologies, self-assembly approaches towards structurally controlled nanosheets-like solids from the bottom up, and to understand and characterize their chemical/physical characteristics for the design of future-generation energy devices with novel functions and properties, that will have direct implications for energy science and technologies such as energy storage and conversion, and catalysis. The project accomplished these goals by completing the following objectives: • Rational design, synthesis, and self-assembly of structurally-controlled molecular ‘nanosheets’ materials. Moving beyond conventional van der Waals two-dimensional crystals, this project enables new synthesis and processing strategies to develop ultrathin nanosheets materials, from inorganic transition-metal oxides-based, to hybrid organic-inorganic nanomaterials, with structural factors such as facet, thickness and pore structure being well controlled during synthesis or assembly processes. • Fundamental understanding and electrochemical characterization of these assembled molecular ‘nanosheets’ materials via charge/mass transport studies through electrochemical intercalation of different metal ions for next-generation energy storage, as well as electrocatalytic studies using this new material platform for understanding catalytic reaction kinetics and the roles of surface functionalization and interface interactions owing to atomic thickness, nanoscale porosity, and other structural factors.

36 MATERIALS SCIENCE↗

The Surface Structure of Ground Metal Crystals

The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).

Boas, W.↗

Chiral Topological Surface States on a Finite Square Photonic Crystal Bounded by Air

Chiral, topologically protected, photonic surface states can be found at the boundary between gyrotropic photonic crystals where a changing magnetic field induces different topology across the interface. Typically, photonic crystals with either a suitable band structure on both sides of the interface to provide a band gap and evanescent decay of the surface states away from the interface, or an outer layer with engineered material properties is required. In this paper, we show the emergence of topological, unidirectional surface states at the termination of finite gyrotropic photonic crystals with a simple square lattice and C 4 rotational symmetry bounded by a vacuum, eliminating the need for an outside layer to enable chiral surface modes. Here, we start from an infinite, time-reversal-symmetry-breaking photonic crystal with a band gap associated with bands with nonzero Chern numbers, different from all-zero Chern numbers in air. We then modify the photonic crystal to move this band gap below the light line, while maintaining the Chern-number discontinuities. Band-structure calculations for a supercell approximating a photonic crystal finite in the direction normal to the surface demonstrate the existence, dispersion, and chirality of the surface mode. Extensive direct scattering calculations for a point source and spatial Fourier analysis further reveal a unidirectional free-space topological surface state, which propagates counterclockwise around the surface of a finite photonic crystal, providing a nearly foolproof way to cross-check the surface-mode band structure unaffected by backscattering from local defects. Additionally, scattering simulations allow an independent characterization of the state dispersion and unveil the robustness of the topological plasmonic mode propagation around the 90° bends of the structure, being due to only radiation leakage. In contrast to buried topological surface states, the observed surface modes at the photonic crystal–air interface have the advantage of being accessible to the outside world, allowing one to take advantage of the defect-tolerant backscattering-free surface modes to engineer emission from photonic crystal surfaces into arbitrary free-space beam shapes and directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multiplexing core & sheath extrusion system development for additive manufacturing for inner-bead multi-material capability

Single-feed polymer extruders are widely used in large-format additive manufacturing (AM) systems; however, the increasing demand for multi-material functionality within a single part has driven significant innovation in this field. One approach involves robotic pick-and-place operations, while another explores mechanical switching of feed lines during extrusion. Although robotic pick-and-drop systems offer flexibility, they introduce longer layer times during material changes, which can negatively affect the structural integrity of the part. On the other hand, mechanical feed switching causes delays in material transitions, as the existing material must be flushed before the new material emerges from the nozzle. This poses particular challenges for smaller or more intricate parts. In this study we are developing a unique multiplexing extrusion system with core & sheath nozzle that combines two extruders via co-extrusion. This allows for a unique inside and outside inner-bead (i.e., within the same bead) multi-material capability. We believe that this technology will allow for combining neat and filled materials, ductile and stronger materials, and many other combinations to address the problems aforementioned above and disrupt the AM technology creating new opportunities and opening application areas.

Tekinalp, Halil [ORNL]↗

Forced Ion Migration for Chalcogenide Phase Change Memory Device

Non-volatile memory devices with two stacked layers of chalcogenide materials comprising the active memory device have been investigated for their potential as phase-change memories. The devices tested included GeTe/SnTe, Ge2Se3/SnTe, and Ge2Se3/SnSe stacks. All devices exhibited resistance switching behavior. The polarity of the applied voltage with respect to the SnTe or SnSe layer was critical to the memory switching properties, due to the electric field induced movement of either Sn or Te into the Ge-chalcogenide layer. One embodiment of the invention is a device comprising a stack of chalcogenide-containing layers which exhibit phase-change switching only after a reverse polarity voltage potential is applied across the stack causing ion movement into an adjacent layer and thus "activating" the device to act as a phase-change random access memory device or a reconfigurable electronics device when the applied voltage potential is returned to the normal polarity. Another embodiment of the invention is a device that is capable of exhibiting more than two data states.

Campbell, Kristy A↗

Stochastic generation of electrolyzer anode catalyst layers

Here, we introduce a stochastic methodology to reproduce the complex pore structure observed in commercial iridium catalyst layers. This method preserves the α pore (pores smaller than 250 nm) and β pore (pores greater than or equal to 250 nm) regions of the catalyst layer. The morphology of the generated materials was validated by comparing the pore size distributions of generated materials against those obtained from commercial materials imaged using x-ray nano computed tomography. We further demonstrate that the pore size distributions of the generated materials are statistically indistinguishable from the imaged catalyst layers, indicating that the stochastic methodology is capable of accurately reproducing catalyst layer morphology. Pore network modelling was conducted on the generated catalyst materials to simulate single-phase permeability, electrical conductivity, and ionic conductivity, and these properties were found to be within experimentally measured ranges for electrolyzer catalyst layers. Additionally, simulations were performed on the generated materials with varying ionomer and iridium catalyst loadings. As the ionomer loading is added, proton conductivity increases exponentially, which demonstrates the importance of optimizing ionomer loading, considering that these effects will be exacerbated in the hydration and temperature conditions of operating electrolyzers. The stochastic material generation method presented in this work is a powerful tool for the development of novel low loading catalyst layers, where the effect of various structural parameters on electrolyzer performance characteristics can be explored.

36 MATERIALS SCIENCE↗

Forced ion migration for chalcogenide phase change memory device

Non-volatile memory devices with two stacked layers of chalcogenide materials comprising the active memory device have been investigated for their potential as phase change memories. The devices tested included GeTe/SnTe, Ge.sub.2Se.sub.3/SnTe, and Ge.sub.2Se.sub.3/SnSe stacks. All devices exhibited resistance switching behavior. The polarity of the applied voltage with respect to the SnTe or SnSe layer was critical to the memory switching properties, due to the electric field induced movement of either Sn or Te into the Ge-chalcogenide layer. One embodiment of the invention is a device comprising a stack of chalcogenide-containing layers which exhibit phase change switching only after a reverse polarity voltage potential is applied across the stack causing ion movement into an adjacent layer and thus "activating" the device to act as a phase change random access memory device or a reconfigurable electronics device when the applied voltage potential is returned to the normal polarity. Another embodiment of the invention is a device that is capable of exhibiting more that two data states.

Campbell, Kristy A.↗

Static measurement of the thickness of the ablative coating of the solid rocket boosters

The Solid Rocket Boosters (SRB's) used to launch the Space Shuttle are coated with a layer of ablative material to prevent thermal damage when they reenter the earth's atmosphere. The coating consists of a mixture of cork, glass, and resin. A new coating (Marshall Convergent Coating, MCC-2) was recently developed that is environmentally complaint. The coating must meet certain minimum thickness standards in order to protect the SRB. The coating is applied by a robot controlled nozzle that moves from the bottom to top, as the rocket part rotates on a table. Several coats are applied, building up to the desired thickness. Inspectors do a limited amount of destructive 'wet' testing. This involves an inspector inserting a rod in the wet coating and removing the rod. This results in a hole that, of course, must be patched later. The material is cured and the thickness is measured. There is no real-time feedback as the coating is being applied. Although this might seem like the best way to control thickness, the problems with 'blowback' (reflected material covering the sensor) are formidable, and have not been solved. After the thermal coating is applied, a protective top coat is applied. The SRB part is then placed in a oven and baked to harden the surface. The operations personnel then measure the thickness of the layer using the Kaman 7200 Displacement Measuring System. The probe is placed on the surface. One person (the inspector) reads the instrument, while another(the technician) records the thickness. Measurements are taken at one foot intervals. After the measurements are taken, the number of low readings is tabulated. If more than 10 percent of the points fall below the minimum value, there is a design review, and the part may be stripped of coating, and a new coating is applied. There is no other analysis.

Harrison, Harry C.↗

Forced ion migration for chalcogenide phase change memory device

Non-volatile memory devices with two stacked layers of chalcogenide materials comprising the active memory device have been investigated for their potential as phase-change memories. The devices tested included GeTe/SnTe, Ge.sub.2Se.sub.3/SnTe, and Ge.sub.2Se.sub.3/SnSe stacks. All devices exhibited resistance switching behavior. The polarity of the applied voltage with respect to the SnTe or SnSe layer was critical to the memory switching properties, due to the electric field induced movement of either Sn or Te into the Ge-chalcogenide layer. One embodiment of the invention is a device comprising a stack of chalcogenide-containing layers which exhibit phase-change switching only after a reverse polarity voltage potential is applied across the stack causing ion movement into an adjacent layer and thus "activating" the device to act as a phase-change random access memory device or a reconfigurable electronics device when the applied voltage potential is returned to the normal polarity. Another embodiment of the invention is a device that is capable of exhibiting more than two data states.

Campbell, Kristy A.↗

A three-dimensional model of the Orion Nebula

We have constructed a geometric model for the Orion Nebula exploiting the fact that most of the radiation arises from a relatively thin layer of ionized material near the ionization front on the near side of the giant molecular cloud OMC-1. As a first step, an extinction corrected surface brightness map of H alpha emission was combined with point by point determinations of the electron density to determine the thickness of the emitting layer across the nebula. The second step involved calculation of the geometry that would satisfy the derived emitting layer thickness constraint, the surface brightness in H alpha, and the assumption that all of the ionizing radiation comes from a single star, theta(sup 1) Ori C. This was done both for the case of a constant gas density along a line of sight and the more realistic case of an exponentially decreasing density. The resulting models show that M42 is a highly irregular object, with regions in the ionization front where the local slope in the geometry is steeper producing higher surface brightnesses. This model also explains local ionization variations near the Bright Bar and the brightest region about 40 sec southwest of theta(sup 1) Ori C.

Wen, Zheng↗

Valles Marineris layered deposits: Implications of origin

Layered deposits within Valles Marineris and its associated system of canyons have been considered to consist of two different rock types: (1) thick, competent, cliff-forming, light and dark bedded material in canyon walls, and (2) relatively thin, alternating series of light and dark layered material, both horizontal and inclined, that form rounded hills and large flat-topped mesas rising above the canyon floors. The dissimilarity in appearance between canyon wall and floor materials, as well as their contrasting patterns of erosion, have been considered strong evidence that their modes of origin were different.

Scott, D. H.↗

An Assessment of GEO Orbital Debris Photometric Properties Derived from Laboratory-Based Measurements

Optical observations of orbital debris offer insights that differ from radar measurements (specifically the size parameter and wavelength regime). For example, time-dependent photometric data yield lightcurves in multiple bandpasses that aid in material identification and possible periodic orientations. This data can also be used to help identify shapes and optical properties at multiple phase angles. Capitalizing on optical data products and applying them to generate a more complete understanding of orbital space objects, is a key objective of NASA s Optical Measurement Program, and a primary driver for creation of the Optical Measurements Center (OMC). The OMC attempts to emulate space-based illumination conditions using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. The OMC uses a 300 Watt Xenon arc lamp as a solar simulator, a CCD camera with Johnson/Bessel colored filters, and a robotic arm to orientate/rotate objects to simulate an object's orbit/rotational period. A high-resolution, high bandwidth (350nm-2500nm) Analytical Spectral Devices (ASD) spectrometer is also employed to baseline various material types. Since observation of GEO targets are generally restricted to the optical regime (due to radar range limitations), analysis of their properties is tailored to those revealed by optical data products. In this connection, much attention has been directed towards understanding the lightcurves of orbital debris with high area-to-mass (A/m) ratios (greater than 0.9 square meters per kilogram). A small population of GEO debris was recently identified, which exhibits the properties of high A/m objects, such as variable eccentricities and inclinations a dynamical characteristic generally resulting from varying solar radiation pressure on high A/m objects. Materials such as multi-layered insulation (MLI) and solar panels are two examples of materials with high area-to mass ratios. Lightcurves for such objects can vary greatly (even for the same object under different illumination conditions). For example, specular reflections from multiple facets of the target surface (e.g. Mylar or Aluminized Kapton) can lead to erratic, orientation-dependent light curves. This paper will investigate published color photometric data for a series of orbital debris targets and compare it to the empirical photometric measurements generated in the OMC. The specific materials investigated (known to exist in GEO) are: an intact piece of MLI, separated layers of MLI, and multiple solar cells materials. Using the data acquired over specific rotational angles through different filters (B, V, R, I), a color index is acquired (B-R, R-I). As a secondary check, the spectrometer is used to define color indexes for the same material. Using these values and their associated lightcurves, this laboratory data is compared to observational data obtained on the 1m telescope of the Astronomical Institute of the University of Bern (AUIB) and the 0.9 m Small and Moderate Aperture Research Telescope System (SMARTS) telescope at Cerro Tololo Inter-American Observatory (CTIO). We will present laboratory generated lightcurves with color indexes of the high A/m materials alongside telescopic data of targets with high A/m values. We will discuss the relationship of laboratory to telescope data in the context of classification of GEO debris objects.

Rodriquez-Cowardin, H.↗

Controllable topological insulator phases in litharge-phase InBi monolayer

Despite recent advances of layered square-net topological material models that possess ideal semimetallic electronic structures and promising potential in material applications, the identification of experimentally accessible two-dimensional square-net materials with related topological properties has proven challenging. Due to the highly tunable physical and topological properties of III-V semiconductors, we revisit the class of III-V materials and observe that the litharge-phase InBi is a layered square-net material and can be exfoliated into the InBi monolayer. We present a comprehensive first-principles study of the energy landscape of the InBi monolayer. We identify a paraelastic phase and three ferroelastic phases and study their topological properties. Specifically, we show that the paraelastic InBi monolayer is a trivial insulator due to the orbital-ordering-induced band inversion occurring between states with the same parity. Substituting one Bi atom per cell with another V-group element (N, P, As) or applying an electric field that breaks the inversion symmetry and changes the orbital onsite energy, the paraelastic InBi monolayer can be driven into the topological insulator phase. Furthermore, one of the ferroelastic phases of pure InBi, which can be obtained by gently straining the paraelastic phase, also possesses such topological insulating properties. Furthermore, these results provide several experimentally accessible routes to tune the nontrivial topology in the InBi monolayer, including creating heterostructures with piezoelectric or ferroelectric substrates and applying mechanical strain, making the InBi monolayer an ideal platform to study the interplay of reduced dimensionality, square-net chemical bonding networks, and band topology.

2-dimensional systems↗

X-ray lithography masking

X-ray masking apparatus includes a frame having a supporting rim surrounding an x-ray transparent region, a thin membrane of hard inorganic x-ray transparent material attached at its periphery to the supporting rim covering the x-ray transparent region and a layer of x-ray opaque material on the thin membrane inside the x-ray transparent region arranged in a pattern to selectively transmit x-ray energy entering the x-ray transparent region through the membrane to a predetermined image plane separated from the layer by the thin membrane. A method of making the masking apparatus includes depositing back and front layers of hard inorganic x-ray transparent material on front and back surfaces of a substrate, depositing back and front layers of reinforcing material on the back and front layers, respectively, of the hard inorganic x-ray transparent material, removing the material including at least a portion of the substrate and the back layers of an inside region adjacent to the front layer of hard inorganic x-ray transparent material, removing a portion of the front layer of reinforcing material opposite the inside region to expose the surface of the front layer of hard inorganic x-ray transparent material separated from the inside region by the latter front layer, and depositing a layer of x-ray opaque material on the surface of the latter front layer adjacent to the inside region.

Smith, Henry I.↗

Bonding Gauges To Carbon/Carbon Composites

Thermal-expansion properties modified to prevent bonds from failing. Proposed transition layer deposited between substrate and strain or temperature gauge to be bonded to substrate. Intended particularly for gauges that must operate at temperatures above 600 degrees F (320 degrees C) and substrates like fiber-reinforced carbon/carbon composites. Reduces stress caused by difference between thermal expansions of gauge and substrate materials. Without transition layer, stress often weakens or breaks bond.

Lemcoe, M. M.↗