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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Mechanical properties of aluminosilicate fiber heat-treated from 800 °C to 1400 °C: Effects of phase transition, grain growth and defects

Highlights: • As reaction between amorphous SiO{sub 2} and γ-Al{sub 2}O{sub 3}, phase transition was triggered at ≈1150 °C in AS fiber, thus forming mullite. • Grain size of formed mullite phase was evidently increased as the heat-treated temperature increased from 1200 °C to 1400 °C. • Higher density flaws were formed at higher temperatures, which led to significant degradation of strength of the AS fiber. - Abstract: Thermal stability of oxide fiber is a key property for high temperature structural applications of typical oxide fiber reinforced oxide matrix composites. This work contributes to provide insight into the mechanical properties of a typical aluminosilicate (AS) fiber heat-treated from 800 °C to 1400 °C in air, with the emphasis on the effects of phase transition, grain growth and defect formations. The results showed a phase reaction occurring at 1150 °C, which formed an orthorhombic structured mullite phase. The grain size of the newly formed mullite was observed increased significantly at higher temperatures. Both the phase transition and grain size led to more flaw formations in the microstructure, which influenced significantly the mechanical property of the AS fiber. Specifically, the Young's modulus and tensile strength were both degraded remarkably from ≈145 GPa to ≈110 GPa, and from ≈1.03 GPa to ≈0.52 GPa, respectively, as the heat-treatment temperature increased from 1200 °C to 1400 °C. Finally, the formations of more flaws yielded a higher dispersion of tensile strength of AS fiber, due to the volume dependent flaw distributions, as revealed by the Weibull statistical analysis.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Fracture Mechanics Analyses of Reinforced Carbon-Carbon Wing-Leading-Edge Panels

Fracture mechanics analyses of subsurface defects within the joggle regions of the Space Shuttle wing-leading-edge RCC panels are performed. A 2D plane strain idealized joggle finite element model is developed to study the fracture behavior of the panels for three distinct loading conditions - lift-off and ascent, on-orbit, and entry. For lift-off and ascent, an estimated bounding aerodynamic pressure load is used for the analyses, while for on-orbit and entry, thermo-mechanical analyses are performed using the extreme cold and hot temperatures experienced by the panels. In addition, a best estimate for the material stress-free temperature is used in the thermo-mechanical analyses. In the finite element models, the substrate and coating are modeled separately as two distinct materials. Subsurface defects are introduced at the coating-substrate interface and within the substrate. The objective of the fracture mechanics analyses is to evaluate the defect driving forces, which are characterized by the strain energy release rates, and determine if defects can become unstable for each of the loading conditions.

Raju, Ivatury S.↗
DOE OSTI2018

Exploring the Acid Gas Sorption Properties of Oxidatively Degraded Supported Amine Sorbents

Amine-supported mesoporous oxide materials have proven to be effective acid gas sorbents. While the primary application of these supported amine species has been CO 2 capture, they have also shown to be proficient at adsorbing other damaging flue gas impurities such as SO x and NO x . The precise nature of the amine (primary, secondary, or tertiary) is known to dictate the gas–amine interactions, with tertiary amines of particular interest due to their inability to adsorb dry CO 2 , favoring SO x and NO x species. The different amine sites also provoke differences in oxidative stability, when exposed to temperatures similar to those used for thermal desorption procedures. Herein we focus on the structural and chemical changes that occur in a range of class 1 (amine-impregnated) and class 2 (amine-grafted) sorbents upon oxidation and correlate these with their variation in acid gas (CO 2 , NO 2 , and SO 2 ) uptakes, as a function of the oxidation temperature. These studies suggest that oxidatively degraded or “spent” supported amine materials may have possible uses as NO x or SO x sorbents. Specifically, despite oxidative degradation these aminopolymer species maintain a reasonable level of NO 2 uptake, despite losing the ability to capture SO 2 or CO 2 , offering unique possibilities in selective NO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Phonon scattering by dislocations at grain boundaries in polycrystalline Bi 0.5 Sb 1.5 Te 3

Reducing lattice thermal conductivity ( κ l ) of a thermoelectric material is one of the most popular strategies to improve its thermoelectric performance. Particularly, many efforts have been focused on decreasing grain size to effectively scatter low‐frequency phonons by boundary scattering. In addition to the boundary scattering, we have recently demonstrated that dense arrays of dislocations formed in grain boundaries can further reduce the κ l by dislocation scattering at room temperature and above. In order to closely examine the effect of the dislocation scattering, the κ l of polycrystalline Bi 0.5 Sb 1.5 Te 3 samples with and without dislocations were measured at low temperature ( T < 200 K). Because other phonon scattering mechanisms like Umklapp and point‐defect scatterings are not dominant at low temperature, we clearly show the presence of the dislocation scattering in the sample with the dislocations by successfully describing its low temperature experimental κ l with a theoretical model.

Kim, Hyun‐Sik↗
DOE OSTI2014

Effects of nano-SiO{sub 2} particles on surface tracking characteristics of silicone rubber composites

Compared with neat silicone rubber composites (SiRCs), SiRCs filled with nano-sized SiO{sub 2} particles at weight ratios from 0.1 to 1.0 wt. % exhibit a higher surface flashover voltage and a greater resistance to surface tracking. Scanning electron microscopy images of tracking morphologies indicate that the SiO{sub 2} particles are situated in close proximity to the polymeric chains and act as bridges to stabilize the chains and maintain the structure of the composite. Higher concentrations of nano-sized SiO{sub 2} particles, however, (above 0.3 wt. %) produce defects in the molecular network which lead to reductions in both the surface flashover voltage and the resistance to surface tracking, although these reduced values are still superior to those of neat SiRCs. Therefore, SiRCs filled with nano-sized SiO{sub 2} particles, especially at an optimal weight ratio (0.1 to 0.3 wt. %), may have significant potential applications as outdoor insulators for power systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Molecular Simulation of Capture of Sulfur-Containing Gases by Porous Aromatic Frameworks

The adsorption of pure SO2 and H2S and their selective adsorption from various gas mixtures by porous aromatic frameworks (PAFs) are investigated using grand canonical Monte Carlo (GCMC) simulations and first-principles density functional theory calculations. The influence of functional groups including -CH 3 , -CN, -COOH, -COOCH 3 , -OH, -OCH 3 , -NH 2 , and -NO 2 on the adsorption of pure SO 2 and H 2 S as well as selective capture of SO 2 and H 2 S from SO 2 /N 2 , SO 2 /CO 2 , H 2 S/CO 2 , and H 2 S/CH 4 mixtures is explored. Our calculations indicate that PAFs exhibit high loadings for pure SO 2 and H 2 S gas adsorption at 298 K up to 40 bar compare to other gases such as CH 4 and CO 2 . Additional functional groups enhance gas uptake at low pressures because of stronger interaction with the gas molecules while reducing gas uptake at high pressures because of a decrease in pore volume. The contributions of electrostatic interactions to gas adsorption loadings are analyzed in GCMC simulations. Ideal adsorbed solution theory calculations generally overestimate SO 2 and H 2 S adsorption selectivity in gas mixtures but qualitatively predict the trends seen in GCMC simulations for these systems. The GCMC simulations further show that the inclusion of any of the functional groups we considered increases the selectivity of SO 2 /N 2 , SO 2 /CO 2 , H 2 S/CO 2 , and H 2 S/CH 4 relative to unfunctionalized materials. Electron-withdrawing groups such as -CN, -COOH, -COOCH 3 , and -NO 2 are more effective at enhancing adsorption selectivity in this work. Finally, the highest selectivity in the PAFs functionalized by these groups is predicted at the lowest temperature we considered (273 K), whereas it occurs at 298 K for PAFs with other functional groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Band-Gap Reduction in ( Bi Cr O 3 ) m / ( Bi Fe O 3 ) n Superlattices: Designing Low-Band-Gap Ferroelectrics

Ferroelectric BiFeO 3 is promising for photovoltaic applications, especially in regard to the exploitation of ferroelectric photovoltaic effects for charge separation. However, its large band gap limits efficient sunlight absorption. Here, we demonstrate a new strategy to effectively tune the band gap of tetragonal BiFeO 3 via superlattice structuring with the ferroelectric BiCrO 3 . The (BiCrO 3 ) m /(BiFeO 3 ) n superlattices are found to exhibit conventional ferroelectric properties, but low fundamental band gaps, smaller than either of the parent materials. First-principles calculations reveal that the unexpected band-gap reduction is induced by charge reconstruction due to lattice strain, octahedral distortion, and polarization discontinuity at the BiCrO3-BiFeO 3 interfaces. Ultimately, these results provide a new strategy, in the form of superlattice structuring, which could open the door to the creation of efficient ferroelectric photovoltaics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Impacts of PTL coating gaps on cell performance for PEM water electrolyzer

The anode porous transport layer (PTL) is a critical component of polymer electrolyte membrane (PEM) water electrolyzers, providing electrical conduction and water/oxygen transport to the anode catalyst layer. Platinum group metal (PGM) coatings are applied to titanium PTLs to prevent oxidation and preserve conductivity. To implement PEM water electrolysis on a large scale, it is essential to minimize the cost of mass-manufactured cell components while ensuring that defects in materials and components do not adversely affect the performance of the cell. In this study, we created gaps in the Pt coatings that are typically applied to PTLs to understand their effects on cell performance and inform on fabrication tolerances. The PTL coatings were fabricated by sputter deposition of Pt, intentionally leaving uncoated regions in either large patches or thin strips. For either geometry, the cell performance decreased with the increasing fraction of the uncoated regions. However, PTLs containing multiple thin uncoated strips caused a less severe performance effect than PTLs with continuous uncoated regions of the same relative total area. Through analysis of cell performance, impedance, and 3D charge transport modelling, here we demonstrate that both the anode catalyst layer and membrane play a role in distributing current to mitigate the impact of coating defects at a short length scale. These results allow to draw conclusions about the tolerance requirements with regards to PTL coating uniformity in terms of both the size and total area of defects.

08 HYDROGEN↗
DOE OSTI2014

A review of cermet-based spectrally selective solar absorbers

Spectrally selective solar absorbers harvest solar energy in the form of heat. Solar absorbers using cermet-based coatings reflect a high absorptance of the solar spectrum and a low emittance in the infrared (IR) regime. Extensive work has been done to optimize cermet-based solar absorbers to achieve high performance by exploring different cermet (ceramic–metal composite) materials and film configurations through different preparation techniques such as electrodeposition, sputtering, pulsed laser deposition, and solution-based methods. Here in this work, we review the progress of cermet-based spectrally selective absorbers with high solar absorptance and low thermal emittance, such as Cr 2 O 3 , Al 2 O 3 , AlN, SiO 2 , and ZrO 2 based cermets as absorption layers. We also present an outlook for cermet-based spectrally selective absorbers with high thermal stability and high conversion efficiency from sunlight to heat.

14 SOLAR ENERGY↗
DOE OSTI2024

Enhanced superconducting qubit performance through ammonium fluoride etch

The performance of superconducting qubits is often limited by dissipation and two-level systems (TLS) losses. The dominant sources of these losses are believed to originate from amorphous materials and defects at interfaces and surfaces, likely as a result of fabrication processes or ambient exposure. Here, we explore a novel wet chemical surface treatment at the Josephson junction-substrate and the substrate-air interfaces by replacing a buffered oxide etch (BOE) cleaning process with one that uses hydrofluoric acid followed by aqueous ammonium fluoride. We show that the ammonium fluoride etch process results in a statistically significant improvement in median $\text{T}_1$ by $\sim22\%$ (p = 0.002), and a reduction in the number of strongly-coupled TLS in the tunable frequency range. Microwave resonator measurements on samples treated with the ammonium fluoride etch after niobium deposition and etching also show $\sim33\%$ lower TLS-induced loss tangent compared to the BOE treated samples. As the chemical treatment primarily modifies the Josephson junction-substrate interface and substrate-air interface, we perform targeted chemical and structural characterizations to examine materials differences at these interfaces and identify multiple microscopic changes that could contribute to decreased TLS losses.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Polarization-Independent Optical Broadband Angular Selectivity

Generalizing broadband angular selectivity to both polarizations has been a scientific challenge for a long time. Previous demonstrations of the broadband angular selectivity work only for one polarization. In this paper, we propose a method that can achieve polarization-independent optical broadband angular selectivity. Our design is based on a material system consisting of alternating one-dimensionally anisotropic photonic crystal (1D PhC) stacks and half-wave plates. 1D PhC stacks have an angular photonic band gap for p-polarized light and half-wave plates can convert s-polarized light to p-polarized light. Here, by introducing alternating 1D PhC stacks and half-wave plates, we predict that one can achieve a central transmission angle at normal incidence and an angularly selective range of less than 30° across the whole visible spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Well-Ordered In Adatoms at the In 2 O 3 ( 111 ) Surface Created by Fe Deposition

Metal deposition on oxide surfaces usually results in adatoms, clusters, or islands of the deposited material, where defects in the surface often act as nucleation centers. An alternate configuration is reported. Afterwards the vapor deposition of Fe on the In 2 O 3 (111) surface at room temperature, ordered adatoms are observed with scanning tunneling microscopy (STM). These are identical to the In adatoms that form when the sample is reduced by heating in ultrahigh vacuum. Our density functional theory (DFT) calculations confirm that Fe interchanges with In in the topmost layer, pushing the excess In atoms to the surface where they arrange as a well-ordered adatom array.

36 MATERIALS SCIENCE↗