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At least 991 records · Page 55

Regulation of Surface Defect Chemistry toward Stable Ni-Rich Cathodes

Surface reconstruction of Ni-rich layered oxides (NLO) degrades the cycling stability and safety of high-energy-density lithium-ion batteries (LIBs), which challenges typical surface-modification approaches to build a robust interface with electrochemical activity. Here, a strategy of leveraging the low-strain analogues of Li- and Mn-rich layered oxides (LMR) to reconstruct a stable surface on the Ni-rich layered cathodes is proposed. The new surface structure not only consists of a gradient chemical composition but also contains a defect-rich structure regarding the formation of oxygen vacancies and cationic ordering, which can simultaneously facilitate lithium diffusion and stabilize the crystal structure during the (de)lithiation. These features in the NLO lead to a dramatic improvement in electrochemical properties, especially the cyclability under high voltage cycling, exhibiting the 30% increase in capacity retention after 200 cycles at the current density of 1 C (3.0-4.6 V). We report the findings offer a facile and effective way to regulate defect chemistry and surface structure in parallel on Ni-rich layered structure cathodes to achieve high-energy density LIBs.

25 ENERGY STORAGE↗

Extraction of the large eddy structure of a turbulent boundary layer

Much attention is currently being focused on turbulence modeling by separation of large-scale and small-scale turbulence. One major difficulty with this method is the problem of separating and defining the large-scale structure. In this paper, a method is presented which does this separation by analyzing time-averaged, two-point double velocity correlation measurements. The basis of the method is a maximization of the inner product of a candidate velocity field with the measured turbulent velocity field. An eigenvalue problem results, whose solution provides a set of orthogonal eigenfunctions associated with specific modes of turbulent motion. The large-scale eddy, containing most of the turbulent energy, is associated with the first (largest) mode. The turbulent velocity field is then represented as a sum of the eigenfunctions. A short description of the equations is given, the methods of solution are discussed, and some results for a two-dimensional fully developed turbulent boundary layer are presented.

Lemmerman, L. A.↗

Environmental Effects on Long Term Displacement Data of Woven Fabric Webbings Under Constant Load for Inflatable Structures

An experimental study of the effects of environmental temperature and humidity conditions on long-term creep displacement data of high strength Kevlar and VectranTM woven fabric webbings under constant load for inflatable structures is presented. The restraint layer of an inflatable structure for long-duration space exploration missions is designed to bear load and consists of an assembly of high strength webbings. Long-term creep displacement data of webbings can be utilized by designers to validate service life parameters of restraint layers of inflatable structures. Five groups of high-strength webbings were researched over a two year period. Each group had a unique webbing length, load rating, applied load, and test period. The five groups consisted of 1.) 6K Vectran webbings loaded to 49% ultimate tensile strength (UTS), 2.) 6K Vectran webbings loaded to 55% UTS, 3.) 12.5K Vectran webbings loaded to 22% UTS, 4.) 6K Kevlar webbings loaded to 40% and 43% UTS, and 5.) 6K Kevlar webbings loaded to 48% UTS. Results show that all webbing groups exhibit the initial two stages of three of a typical creep curve of an elastic material. Results also show that webbings exhibit unique local wave patterns over the duration of the test period. Data indicate that the local pattern is primarily generated by daily variations in relative humidity values within the test facility. Data indicate that after a three to six month period, where webbings reach a steady-state creep condition, an annual sinusoidal displacement pattern is exhibited, primarily due to variations in annual mean temperature values. Data indicates that variations in daily temperature values and annual mean humidity values have limited secondary effects on creep displacement behavior. Results show that webbings in groups 2 and 5 do not exhibit well defined annual displacement patterns because the magnitude of the applied loads cause large deformations, and data indicate that material yielding within a webbing tends to neutralize the annual sinusoidal displacement pattern. Study indicates that applied load, environmental effects, mechanical strength, coefficient of thermal expansion, and hygroscopic properties of webbings are fundamental requirements for quantifying accurate creep displacements and behaviors over multiple year time periods. Results from a study of the environmental effects on long-term creep displacement data of Kevlar and Vectran woven webbings are presented to increase the knowledge base of webbing materials and to enhance designs of inflatable space structures for long-duration space missions.

Kenner, WInfred S.↗

Three-dimensional structural damage localization system and method using layered two-dimensional array of capacitance sensors

A system and method for detecting damage to a structure is provided. The system includes a voltage source and at least one capacitor formed as a layer within the structure and responsive to the voltage source. The system also includes at least one sensor responsive to the capacitor to sense a voltage of the capacitor. A controller responsive to the sensor determines if damage to the structure has occurred based on the variance of the voltage of the capacitor from a known reference value. A method for sensing damage to a structure involves providing a plurality of capacitors and a controller, and coupling the capacitors to at least one surface of the structure. A voltage of the capacitors is sensed using the controller, and the controller calculates a change in the voltage of the capacitors. The method can include signaling a display system if a change in the voltage occurs.

Curry, Mark A↗

Leveraging Polymorphism in YbCuBi to Map Transport and Elastic Properties

AMX Zintl compounds with the hexagonal ZrBeSi structure have gained significant attention for their remarkable vacancy tolerance and low thermal conductivity. Their 2D honeycomb sublattice, composed of M–X covalent bonds, is believed to contribute to high anharmonicity and unusual thermal transport properties. In this study, we explore the temperature-dependent polymorphism of YbCuBi as a model system to investigate the relationship between the structure and elastic and thermal transport properties in AMX Zintls. YbCuBi undergoes a structural transition from the “flat” Cu–Bi layers in the ZrBeSi structure to corrugated layers in the LiGaGe structure below 410 K, resulting in a distortion of its centrosymmetric structure. To probe the effects of this crystallographic transition, we employ inelastic neutron scattering and temperature-dependent resonant ultrasound spectroscopy. These experimental findings, coupled with first-principles calculations and thermal conductivity measurements, allow us to elucidate a direct relationship between corrugation of the honeycomb lattice and the observed changes in elastic and thermal transport properties. These insights can be extended to other Zintl phases with similar structure types, providing a platform for the rational design of functional materials with tailored thermal properties.

Chemical structure↗

Two-Dimensional Palladium Diselenide with Strong In-Plane Optical Anisotropy and High Mobility Grown by Chemical Vapor Deposition

Two-dimensional (2D) palladium diselenide (PdSe 2 ) has strong interlayer coupling and a puckered pentagonal structure, leading to remarkable layer-dependent electronic structures and highly anisotropic in-plane optical and electronic properties. However, the lack of high-quality, 2D PdSe 2 crystals grown by bottom-up approaches limits the study of their exotic properties and practical applications. In this work, chemical vapor deposition growth of highly crystalline few-layer (≥2 layers) PdSe 2 crystals on various substrates is reported. The high quality of the PdSe 2 crystals is confirmed by low-frequency Raman spectroscopy, scanning transmission electron microscopy, and electrical characterization. In addition, strong in-plane optical anisotropy is demonstrated via polarized Raman spectroscopy and second-harmonic generation maps of the PdSe 2 flakes. A theoretical model based on kinetic Wulff construction theory and density functional theory calculations is developed and described the observed evolution of “square=like” shaped PdSe 2 crystals into rhombus due to the higher nucleation barriers for stable attachment on the (1,1) and (1,-1) edges, which results in their slower growth rates. Finally, few-layer PdSe 2 field-effect transistors reveal tunable ambipolar charge carrier conduction with an electron mobility up to ≈294 cm 2 V -1 s -1 , which is comparable to that of exfoliated PdSe 2 , indicating the promise of this anisotropic 2D material for electronics.

36 MATERIALS SCIENCE↗

Direct Observation of 2DEG States in Shallow Si:Sb δ-Layers

We investigate the electronic structure of high-density layers of Sb dopants in a silicon host, so-called Si:Sb δ-layers. We show that, in spite of the known challenges in producing highly confined Sb δ-layers, sufficient confinement is created such that the lowest conduction band states (Γ states, studied in depth in other silicon δ-layers), become occupied and can be observed using angle-resolved photoemission spectroscopy. The electronic structure of the Si:Sb δ-layers closely resembles that of Si:P systems, where the observed conduction band is near-parabolic and slightly anisotropic in the k ∥ plane. The observed Γ state extends ∼1 nm in the out-of-plane direction, which is slightly wider than the 1/3 monolayer thick dopant distribution. This is caused by a small segregation of the dopant layer, which is nevertheless minimal when comparing with earlier published attempts. Our results serve to demonstrate that Sb is still a feasible dopant alternative for use in the semiconductor δ-layer platform, providing similar electronic functionality to Si:P systems. Additionally, it has the advantages of being less expensive, more controllable, safer to handle, and more compatible with industrial patterning techniques. Si:Sb is therefore a viable platform for emerging quantum device applications.

Deposition↗

Laminarization of Turbulent Boundary Layer on Flexible and Rigid Surfaces

An investigation of the control of turbulent boundary layer flow over flexible and rigid surfaces downstream of a concave-convex geometry has been made. The concave-convex curvature induces centrifugal forces and a pressure gradient on the growth of the turbulent boundary layer. The favorable gradient is not sufficient to overcome the unfavorable; thus, the net effect is a destabilizing, of the flow into Gortler instabilities. This study shows that control of the turbulent boundary layer and structural loading can be successfully achieved by using localized surface heating because the subsequent cooling and geometrical shaping downstream over a favorable pressure gradient is effective in laminarization of the turbulence. Wires embedded in a thermally insulated substrate provide surface heating. The laminarized velocity profile adjusts to a lower Reynolds number, and the structure responds to a lower loading. In the laminarization, the turbulent energy is dissipated by molecular transport by both viscous and conductivity mechanisms. Laminarization reduces spanwise vorticity because of the longitudinal cooling gradient of the sublayer profile. The results demonstrate that the curvature-induced mean pressure gradient enhances the receptivity of the flow to localized surface heating, a potentially viable mechanism to laminarize turbulent boundary layer flow; thus, the flow reduces the response of the flexible structure and the resultant sound radiation.

Maestrello, Lucio↗

Local cation ordering in compositionally complex Ruddlesden–Popper n = 1 oxides

The Ruddlesden–Popper (RP) layered perovskite structure is of great interest due to its inherent tunability, and the emergence and growth of the compositionally complex oxide (CCO) concept endows the RP family with further possibilities. Here, a comprehensive assessment of thermodynamic stabilization, local order/disorder, and lattice distortion was performed in the first two reported examples of lanthanum-deficient La n+1 B n O 3n+1 (n = 1, B = Mg, Co, Ni, Cu, Zn) obtained via various processing conditions. Chemical short-range order (CSRO) at the B-site and the controllable excess interstitial oxygen (δ) in RP-CCOs are uncovered by neutron pair distribution function analysis. Reverse Monte Carlo analysis of the data, Metropolis Monte Carlo simulations, and extended x-ray absorption fine structure analysis implies a modest degree of magnetic element segregation on the local scale. Further, ab initio molecular dynamics simulations results obtained from special quasirandom structure disagree with experimentally observed CSRO but confirm Jahn–Teller distortion of CuO 6 octahedra. These findings highlight potential opportunities to control local order/disorder and excess interstitial oxygen in layered RP-CCOs and demonstrate a high degree of freedom for tailoring application-specific properties. They also suggest a need for expansion of theoretical and data modeling approaches in order to meet the innate challenges of CCO and related high-entropy phases.

36 MATERIALS SCIENCE↗

Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide

In contrast to two-dimensional (2D) monolayer materials, van der Waals layered transition metal dichalcogenides exhibit rich polymorphism, making them promising candidates for novel superconductor, topological insulators and electrochemical catalysts. Here, we highlight the role of hydrostatic pressure on the evolution of electronic and crystal structures of layered ZrS2. Under deviatoric stress, our electrical experiments demonstrate a semiconductor-to-metal transition above 30.2 GPa, while quasi-hydrostatic compression postponed the metallization to 38.9 GPa. Both X-ray diffraction and Raman results reveal structural phase transitions different from those under hydrostatic pressure. Under deviatoric stress, ZrS2 rearranges the original ZrS6 octahedra into ZrS8 cuboids at 5.5 GPa, in which the unique cuboids coordination of Zr atoms is thermodynamically metastable. The structure collapses to a partially disordered phase at 17.4 GPa. These complex phase transitions present the importance of deviatoric stress on the highly tunable electronic properties of ZrS2 with possible implications for optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Process-Based Cost Estimation for Ramjet/Scramjet Engines

Process-based cost estimation plays a key role in effecting cultural change that integrates distributed science, technology and engineering teams to rapidly create innovative and affordable products. Working together, NASA Glenn Research Center and Boeing Canoga Park have developed a methodology of process-based cost estimation bridging the methodologies of high-level parametric models and detailed bottoms-up estimation. The NASA GRC/Boeing CP process-based cost model provides a probabilistic structure of layered cost drivers. High-level inputs characterize mission requirements, system performance, and relevant economic factors. Design alternatives are extracted from a standard, product-specific work breakdown structure to pre-load lower-level cost driver inputs and generate the cost-risk analysis. As product design progresses and matures the lower level more detailed cost drivers can be re-accessed and the projected variation of input values narrowed, thereby generating a progressively more accurate estimate of cost-risk. Incorporated into the process-based cost model are techniques for decision analysis, specifically, the analytic hierarchy process (AHP) and functional utility analysis. Design alternatives may then be evaluated not just on cost-risk, but also user defined performance and schedule criteria. This implementation of full-trade study support contributes significantly to the realization of the integrated development environment. The process-based cost estimation model generates development and manufacturing cost estimates. The development team plans to expand the manufacturing process base from approximately 80 manufacturing processes to over 250 processes. Operation and support cost modeling is also envisioned. Process-based estimation considers the materials, resources, and processes in establishing cost-risk and rather depending on weight as an input, actually estimates weight along with cost and schedule.

Singh, Brijendra↗

Subsurface Structure in the Martian Polar Layered Deposits: The Deep Space 2 Impact Accelerometry Experiment

While primarily a technology demonstration mission, the New Millenium Mars Microprobes (also known as Deep Space 2, or simply DS2)will also provide the first in situ science measurements of the martian subsurface. The DS2 impact accelerometry experiment will provide both engineering data about the depth of probe emplacement and science data about the physical nature of the subsurface at the probes' landing sites. Little is known about the detailed physical properties or small-scale vertical structure of the subsurface at the DS2 landing site in the southern martian polar layered deposits. Imaging data from the Viking Orbiters and Mars Global Surveyor reveal alternating bands of light and dark material in this region with thicknesses at least as small as the limit of resolution, about 10 m. The overall composition of these layers is poorly constrained, but generally thought to be a mixture of dust and ice with the layers being caused by variations in the dust/ice ratio, or perhaps by dust deposits of different densities. Low thermal inertias in the region suggest that the top few centimeters of the surface are composed of a mantling of fine-grained dust. However, 3.5-cm radar returns indicate that the maximum depth of this dust is not greater than a few tens of centimeters. Thermal models generally agree that, while the layered deposits do provide a potential near-surface reservoir for ice, the uppermost few centimeters to meters in these regions are likely to be ice-free because of sublimation losses. Finally, while it is generally agreed that the layered deposits are the product of variations in the martian climate, no direct correlation has been made between band sequences and specific climate changes. Our intention is to shed light on some of these questions about the martian polar layered deposits by using the DS2 accelerometry experiment to determine the physical nature of the layered deposits, and to detect the presence of any subsurface layering of dust, ice, and/or rock. In the process, we will also determine the final resting depth of the two microprobes, an important parameter in the interpretation of other DS2 experiments.

Moersch, J. E.↗

Modification in drag of turbulent boundary layers resulting from manipulation of large-scale structures

The effects of placing a parallel-plate turbulence manipulator in a boundary layer are documented through flow visualization and hot wire measurements. The boundary layer manipulator was designed to manage the large scale structures of turbulence leading to a reduction in surface drag. The differences in the turbulent structure of the boundary layer are summarized to demonstrate differences in various flow properties. The manipulator inhibited the intermittent large scale structure of the turbulent boundary layer for at least 70 boundary layer thicknesses downstream. With the removal of the large scale, the streamwise turbulence intensity levels near the wall were reduced. The downstream distribution of the skin friction was also altered by the introduction of the manipulator.

Corke, T. C.↗

Additive Manufacturing of Pure Mo and Mo + TiC MMC Alloy by Electron Beam Powder Bed Fusion

A metal matrix composite powder of molybdenum (Mo) + TiC was produced by mechanical alloying (MA) and used in additive manufacturing by electron beam powder bed fusion along with pure Mo powder to form sandwich structures. The Mo + TiC solid layers formed mixed structures of Mo with discrete TiC particles, eutectic Mo + TiC, and Mo dendrites. Thermodynamic modeling showed that the system contained an invariant eutectic reaction in the composition range used and indicated that the system was highly sensitive to changes in composition and temperature.

36 MATERIALS SCIENCE↗

Galileo - Mission to Jupiter

The Galileo mission to Jupiter in the latter half of this decade is NASA's next step in the exploration of Jupiter. The primary science objectives are to study the satellites, the magnetosphere, and Jupiter's atmosphere. In general, there are four characteristics of the Galileo mission which provide the capability to address questions not answered by Voyager: (1) long-term observations - at least 11 orbits of Jupiter in nearly two years - will allow temporal studies of Io vulcanism as well as of interactions between the satellites and magnetosphere; (2) very close satellite flybys - at a distance less than 1000 km at each Galilean satellite - will allow in-depth studies of these satellites at distances 20 to 100 times closer than Voyager achieved; (3) an atmospheric entry probe will measure composition, structure, temperature, energy balance, cloud layer locations and structure, and particle size distribution in Jupiter's atmosphere; and (4) the Orbiter's advanced instrumentation will allow higher resolution and more detailed studies of the satellites, atmosphere, and magnetosphere

Casani, J. R.↗

Modal attenuation in multilayered coated waveguides

Propagation and attenuation constants of low-order normal modes in a circular waveguide lined with lossy coating layers are calculated using a generalized dispersion equation. It is found that the use of multilayered coating can significantly enhance modal attenuations over a broader frequency range compared to that for a single-layer coated structure. For a cylinder with radius a = 2 lambda, the attenuation constants for the dominant modes are shown to increase by 20 dB per a by adding a lossless padding layer to a lossy magnetic coating. Application of this result in radar cross-section (RCS) reduction is discussed.

Chou, Ri-Chee↗

Diffusion Driven Combustion Waves in Porous Media

Filtration of gas containing oxidizer, to the reaction zone in a porous medium, due, e.g., to a buoyancy force or to an external pressure gradient, leads to the propagation of Filtration combustion (FC) waves. The exothermic reaction occurs between the fuel component of the solid matrix and the oxidizer. In this paper, we analyze the ability of a reaction wave to propagate in a porous medium without the aid of filtration. We find that one possible mechanism of propagation is that the wave is driven by diffusion of oxidizer from the environment. The solution of the combustion problem describing diffusion driven waves is similar to the solution of the Stefan problem describing the propagation of phase transition waves, in that the temperature on the interface between the burned and unburned regions is constant, the combustion wave is described by a similarity solution which is a function of the similarity variable x/square root of(t) and the wave velocity decays as 1/square root of(t). The difference between the two problems is that in the combustion problem the temperature is not prescribed, but rather, is determined as part of the solution. We will show that the length of samples in which such self-sustained combustion waves can occur, must exceed a critical value which strongly depends on the combustion temperature T(sub b). Smaller values of T(sub b) require longer sample lengths for diffusion driven combustion waves to exist. Because of their relatively small velocity, diffusion driven waves are considered to be relevant for the case of low heat losses, which occur for large diameter samples or in microgravity conditions, Another possible mechanism of porous medium combustion describes waves which propagate by consuming the oxidizer initially stored in the pores of the sample. This occurs for abnormally high pressure and gas density. In this case, uniformly propagating planar waves, which are kinetically controlled, can propagate, Diffusion of oxidizer decreases the wave velocity. In addition to the reaction and diffusion layers, the uniformly propagating wave structure includes a layer with a pressure gradient, where the gas motion is induced by the production or consumption of the gas in the reaction as well as by thermal expansion of the gas. The width of this zone determines the scale of the combustion wave in the porous medium.

Aldushin, A. P.↗

Tethers as Debris: Simulating Impacts of Kevlar Tethers on Shuttle Tiles

In a previous paper I examined the effects of impacts of polymer tethers on aluminum plates using the SPHC hydrodynamic code. In this paper I apply tether models to a new target - models of Space Shuttle tiles developed during the STS 107 accident investigation. In this three-dimensional simulation, a short tether fragment strikes a single tile supported on an aluminum backing plate. A tile of the LI-900 material is modeled. Penetration and damage to the tile and the backwall are characterized for three normal impact velocities. The tether is modeled as a bundle of eight 1-mm strands, with the bundle having dimensions 2-mm x 4-mm x 20-cm. The bulk material properties used are those of Kevlar(TradeMark) 49, for which a Mie-Gruneisen multiphase equation of state (eos) is used. In addition, the strength model is applied in a linear sense, such that tensile loads along the strand length are supported, but there is no strength in the lateral directions. Tile models include the various layers making up the tile structure. The outermost layer is a relatively dense borosilicate glass, known as RCG, 0.5-mm thick. The RCG layer is present on the top and four sides of the tile. Below this coating is the bulk of the tile, 1.8- in thick, made of LI-900, a product consisting of rigidized fiberous silica with a density of 9 lWft3. Below the main insulating layer is a bottom layer of the same material that has been treated to increase its density by approximately 69% to improve its strength. This densified layer is bonded to a Strain Isolation Pad (SIP), modeled as a refractory felt fabric. The SIP is bonded to an aluminum 2024 wall 0.1-in thick. The tile and backwall materials use a Me-Gruneisen multiphase eos, with the exception of the SIP felt, which uses a fabric equation of state. Fabrics must be crushed to the full bulk material density before bulk material properties and a Mie-Gruneisen eos are applied. Tether fragment impact speeds of 3,7, and 10 km/s are simulated, with impact velocities normal to the tile face. Damage results are presented in tabular format.

Evans, Steven W.↗