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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Nonlinear Stability and Structure of Compressible Reacting Mixing Layers

The parabolized stability equations (PSE) are used to investigate issues of nonlinear flow development and mixing in compressible reacting shear layers. Particular interest is placed on investigating the change in flow structure that occurs when compressibility and heat release are added to the flow. These conditions allow the 'outer' instability modes- one associated with each of the fast and slow streams-to dominate over the 'central', Kelvin-Helmholtz mode that unaccompanied in incompressible nonreacting mixing layers. Analysis of scalar probability density functions in flows with dominant outer modes demonstrates the ineffective, one-sided nature of mixing that accompany these flow structures. Colayer conditions, where two modes have equal growth rate and the mixing layer is formed by two sets of vortices, offer some opportunity for mixing enhancement. Their extent, however, is found to be limited in the mixing layer's parameter space. Extensive validation of the PSE technique also provides a unique perspective on central- mode vortex pairing, further supporting the view that pairing is primarily governed perspective sheds insight on how linear stability theory is able to provide such an accurate prediction of experimentally-observed, fully nonlinear flow phenomenon.

Day, M. J.↗
DOE OSTI2019

Pt 8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization

Alumina supported Pt nano clusters under hydrogen environment play a crucial role for many heterogeneous catalysis applications. As such, we conducted grand canonical genetic algorithm (GCGA) simulations for supported Pt 8 clusters in hydrogen gas environment to study the intra-cluster, cluster-support, and cluster-adsorbate interactions. Two alumina surfaces, α-Al 2 O 3 (0001) and $γ$-Al 2 O 3 (100), and two conditions T=600°C, p H2 = 0.1bar and T=25°C, p H2 = 1.0 bar were considered corresponding to low and high hydrogen chemical potential $μ$ H , respectively. The low free energy ensemble of Pt 8 is decorated by a medium (2–12 H), resp. high (20–30 H), number of hydrogen atoms under equilibrium at low $μ$ H , respectively, high $μ$ H , and undergoes different morphology transformations on the two surfaces. On α-Al2O3(0001), Pt8 is mostly 3D but very fluxional in structure at low μH and converts to open one-layer 2D structures with minimal fluxionality at high μH, whereas on $γ$-Al 2 O 3 (100), the exact opposite occurs, and Pt 8 clusters present one-layer 2D shapes at low $μ$ H and switch into compact 3D shapes under high $μ$ H , during which the Pt 8 cluster preserves moderate fluxionality. Further analysis reveals similar Pt–Pt bond length increase when switching from low $μ$ H to high $μ$ H on both surfaces, though morphology transformations are different. Electronic structure analysis shows the existence of bonding interactions between Pt and Lewis acidic Al 3+ sites along with the Pt – O interaction, which implies the necessity to include Al neighbors to discuss the electronic structure of small Pt clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

A singularity free approach to post glacial rebound calculations

Calculating the post glacial response of a viscoelastic Earth model using the exponential decay normal mode technique leads to intrinsic singularities if viscosity varies continuously as a function of radius. We develop a numerical implementation of the Complex Real Fourier transform (CRFT) method as an accurate and stable procedure to avoid these singularities. Using CRFT, we investigate the response of a set of Maxwell Earth models to surface loading. We find that the effect of expanding a layered viscosity structure into a continuously varying structure is to destroy the modes associated with the boundary between layers. Horizontal motion is more sensitive than vertical motion to the viscosity structure just below the lithosphere. Horizontal motion is less sensitive to the viscosity of the lower mantle than the vertical motion is. When the viscosity increases at 670 km depth by a factor of about 60, the response of the lower mantle is close to its elastic limit. Any further increase of the viscosity contrast at 670 km depth or further increase of viscosity as a continuous function of depth starting from 670 km depth is unlikely to be resolved.

Fang, Ming↗
DOE OSTI2026

Discovery of a new phase transition and high-valent redox mechanism in Fe-substituted Na 2 Mn 3 O 7

Sodium-ion batteries are a promising lower-cost alternative to lithium-ion batteries, but further improvements in electrochemical performance are required. One strategy to increase capacity is to enable reversible high-valent cationic and anionic redox in layered cathode materials; however, this is typically accompanied by structural degradation. Here, in this study, we elucidate the mechanism by which Fe-doped Na 2 Mn 3 O 7 , featuring ordered transition metal-vacancies, achieves reversible high-valent redox. Using Mössbauer spectroscopy, soft X-ray absorption spectroscopy (XAS), and in-situ hard XAS, we demonstrate reversible high-valent cationic redox involving both Fe and Mn while in-situ Raman confirms the absence of local structural degradation associated with oxygen redox. Combining in-situ X-ray diffraction with theoretical calculations, we further identify a previously unreported global phase transition from the $\bar{P1}$ to the $P2_1/c$ space group during electrochemical cycling and develop a physical model describing this structural evolution. These results provide insights for structurally stable layered sodium transition metal oxide cathodes with reversible high-valent redox.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Three-Layer Cylindrical Shell with Nonlinear Deformation

A mathematical model is proposed for the stress–strain state of a three-layer (sandwich) structure, taking account of nonlinear deformation of the supporting layers. Nonlinear deformation of a symmetric three-layer cylindrical shell under the action of transverse loads is considered, for different boundary conditions.

42 ENGINEERING↗
NASA NTRS1991

Heterojunction-Internal-Photoemission Infrared Detectors

New type of photodetector adds options for design of imaging devices. Heterojunction-internal-photoemission (HIP) infrared photodetectors proposed for incorporation into planar arrays in imaging devices required to function well at wavelengths from 8 to 17 micrometers and at temperatures above 65 K. Photoexcited electrons cross energy barrier at heterojunction and swept toward collection layer. Array of such detectors made by etching mesa structures. HIP layers stacked to increase quantum efficiency. Also built into integrated circuits including silicon multiplexer/readout circuits.

Maserjian, Joseph↗
DOE OSTI2022

“Breathing” organic cation to stabilize multiple structures in low-dimensional Ge-, Sn-, and Pb-based hybrid iodide perovskites

Low-dimensional hybrid inorganic–organic perovskites are excellent candidates for stable optoelectronic devices. The dimensionality of these perovskites depends largely on the organic and inorganic compositions, as well as the synthetic conditions. We report five new hybrid iodides, (ETU) 4 Ge 5 I 18 , (ETU)GeI 4 , (ETU)SnI 4 , (ETU)PbI 4 , and (ETU) 3 Pb 2 I 10 using only one type of organic cation, namely, S-(2-aminoethyl)isothiouronium (ETU). (ETU)GeI 4 and (ETU)SnI 4 belong to the (110)-oriented structure-type with “3 × 3” sawtooth corrugated layers and crystallize in a structure with the orthorhombic space group Pbca. (ETU) 4 Ge 5 I 18 crystallizes in a structure with the triclinic space group P$\bar{1}$with combining macron], featuring a 2D layered structure with combinations of corner, edge, and face-sharing [GeI 6 ] octahedra. For the Pb-based series, (ETU)PbI 4 has the conventional (100) – oriented 2D type whereas (ETU) 3 Pb 2 I 10 has a unique 0D structure. Remarkably, the unstable 2D orange-phase (ETU)PbI 4 transforms to a stable 0D yellow phase (ETU) 3 Pb 2 I 10 , accompanied by the reduction of the C–S–C angle of the organic cation ETU. The optical band gaps are largely regulated by the diverse types of structure and are in the range of 1.8 eV to 2.8 eV. (ETU)SnI 4 is the only material showing notable photoluminescence at room-temperature. Our work showcases the flexibility of the organic cation in determining the structural dimensionality and provides a new strategy in generating new hybrid materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Layer-Dependent Pressure Effect on the Electronic Structure of 2D Black Phosphorus

Through infrared spectroscopy, we systematically study the pressure effect on electronic structures of few-layer black phosphorus (BP) with layer number ranging from 2 to 13. We reveal that the pressure-induced shift of optical transitions exhibits strong layer dependence. In sharp contrast to the bulk counterpart which undergoes a semiconductor to semimetal transition under ~1.8 GPa, the band gap of 2 L increases with increasing pressure until beyond 2 GPa. Meanwhile, for a sample with a given layer number, the pressure-induced shift also differs for transitions with different indices. Through the tight-binding model in conjunction with a Morse potential for the interlayer coupling, this layer- and transition-index-dependent pressure effect can be fully accounted. Our study paves a way for versatile van der Waals engineering of two-dimensional BP.

2-dimensional systems↗
DOE OSTI2019

Hybrid CMOS-MEMS devices adapted for high-temperature operation and method for their manufacture

A silicon carbide based MOS integrated circuit is monolithically integrated with a suspended piezoelectric aluminum nitride member to form a high-temperature-capable hybrid MEMS-over-MOS structure. In the integrated structure, a post-MOS passivation layer of silicon carbide is deposited over the MOS passivation and overlain by a structural layer of the MEMS device. Electrical contact to refractory metal conductors of the MOS integrated circuit is provided by tungsten vias that are formed so as to pass vertically through the structural layer and the post-MOS passivation layer.

42 ENGINEERING↗
DOE OSTI2018

Surface Structural and Chemical Evolution of Layered LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) under High Voltage and Elevated Temperature Conditions

This work reports new insights into structural and chemical evolution of surface phases of LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) held at constant high voltages (up to 4.75 V) as well as high temperatures (60 °C) by correlating crystal structure using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imaging with chemistry using electron energy loss spectroscopy (EELS). We also followed the Al distribution within individual NCA particles by X-ray energy dispersive spectroscopy (EDS). The progression of these phases as a function of distance from the edge shows simultaneous evolution of crystal structures and chemistry from rocksalt to layered, forming a complete solid solution. We have also observed an extended disordered phase with rocksalt (Fm3m) symmetry in which quantitative electron energy loss spectroscopy reveals it to be an oxygen deficient cation disordered phase with chemical characteristics, as determined by EELS, similar to spinel. The formation of these disordered phases with cation and oxygen vacancies has been driven by surface oxygen loss caused by reactions with the electrolyte followed by cation migration from the octahedral 3a M (M = Ni, Co, Al) layer to the octahedral 3b Li layer. These surface rocksalt phases are not fully dense as they contain Al and Li as well as a high concentration of cation and oxygen vacancies. After discharge, Li is detected within these phases indicative that Li transport has occurred through these rocksalt phases. At 60 °C and 4.75 V a very large impedance rise is observed leading to complete cell irreversibility which is caused by significant metal dissolution from the cathode and formation of surface porosity. In the near surface region of some particles, a phase transformation from R3m (O3) to P3m1 (O1) is also observed which has become thermodynamically stable from complete delithiation as well as from local Al surface depletion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

The Impact of Catalyst Layer Properties and Transport Layer Interactions on Rutile Iridium Oxide Anode Durability in Proton Exchange Membrane Electrolysis

The performance and durability of proton exchange membrane electrolyzers are governed by the interplay between catalyst inks and integration, the resulting catalyst layer (CL) structure, and the interface between the CL and porous transport layer (PTL). In this study, we examine the impact of these factors on cell performance and degradation using rutile IrO2 as the anode catalyst. The two commercial rutile IrO2 catalysts differ from each other and from the amorphous benchmark in agglomerate size and ink stability. This has implications for CL morphology and electronic connectivity. In the context of long-term pressurized operation for up to 1000 h, the selection of the PTL has a marginal effect on the durability of CLs with good structural and compositional properties, whereas poorly structured CLs demonstrate evident degradation when used with certain PTLs. Poor CL properties amplify the negative impact of non-ideal CL/PTL interfaces, demonstrating the importance of CL/PTL interface engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Multilayered triangular and quadrilateral flat shell elements based on the Refined Zigzag Theory

The paper presents a class of C 0 -continuous, flat shell elements based on the Refined Zigzag Theory (RZT) for the analysis of multilayered and curved composite and sandwich structures. In this study, the use of the interdependent interpolation strategy allows eliminating the shear-locking phenomenon and introducing the drilling rotation necessary to complete the set of classical nodal degrees of freedom (three displacements and three rotations). Additional kinematic variables are present in RZT, the zigzag rotations around the in-plane axes that measure the normal distortion typical of multilayered structures. An additional “drilling” zigzag rotation is therefore included among the nodal degrees of freedom in order to properly model curved and built-up structures. A stabilization procedure is adopted to suppress spurious zero-energy modes. A three-node triangular and a four-node quadrilateral flat shell element are formulated with 9 degrees of freedom per node. Example problems involving flat and curved multilayered structures are presented and discussed in order to assess the accuracy and convergence properties of the presented elements. Both static response predictions and free vibrations analyses are considered and the comparison is made with analytic RZT solutions, high-fidelity 3D finite element models and FSDT-based flat shell elements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Modified Data Collection And Analysis Codes Of Using Tcm (thermal Conductivity Microscope) To Measure Thermal Conductivity And Diffusivity

The "data collection" basically involves setting up the thermal wave frequency, laser scan distance, and other parameters related to the experimental setup. The modification of this code is minor and the details of this code can be found in the earlier patent ("thermal conductivity microscope"). The "data analysis" instead, replaces the simplified analytical model by a more complete analytical model, and used a "thermoquadruple" method to solve the analytical model. The efficiency is orders of magnitude improved and the accuracy is also better. Meanwhile, the previous model can only handle a two-layer sample structure. The new, complete model can handle materials with multiple layers (any given number), which is necessary to handle post ion irradiated materials.

Hua, Zilong [Idaho National Laboratory (INL), Idah↗
NASA NTRS2008

Estimating Mixing Heights Using Microwave Temperature Profiler

A paper describes the Microwave Temperature Profiler (MTP) for making measurements of the planetary boundary layer thermal structure data necessary for air quality forecasting as the Mixing Layer (ML) height determines the volume in which daytime pollution is primarily concentrated. This is the first time that an airborne temperature profiler has been used to measure the mixing layer height. Normally, this is done using a radar wind profiler, which is both noisy and large. The MTP was deployed during the Texas 2000 Air Quality Study (TexAQS-2000). An objective technique was developed and tested for estimating the ML height from the MTP vertical temperature profiles. In order to calibrate the technique and evaluate the usefulness of this approach, estimates from a variety of measurements during the TexAQS-2000 were compared. Estimates of ML height were used from radiosondes, radar wind profilers, an aerosol backscatter lidar, and in-situ aircraft measurements in addition to those from the MTP.

Nielson-Gammon, John↗
NASA NTRS1998

Observation of Isolated Structures of the Low Latitude Boundary Layer with the INTERBALL/Tail Probe

We analyze the structure of magnetospheric transients observed at the dusk-side low-latitude magnetopause with the Interball Tail Probe. Ion and magnetic field measurements are used to investigate one particular transient in more detail. This transient has distinct non-symmetric structure with the plasma characteristics and the flow properties of the leading part of the transient being quite different from those in the trailing part of the transient. The region separating these two parts corresponds to the change of the sign in the B(n) component. These observations support an earlier conclusion that some plasma irregularities within the Low Latitude Boundary Layer (LLBL), formed as a result of sporadic reconnection, disconnect from the magnetopause, propagate and dissipate in the magnetosphere, and form what we call Disconnected Magnetosheath Transfer Events (DMTEs).

Vaisberg, 0. L.↗
DOE OSTI2021

Compensated Contacts for Three-Terminal Transistor Solar Cells

The heterojunction bipolar transistor solar cell (HBTSC) is an alternative to conventional double-junction solar cells that combines the advantages of three-terminal architectures with a compact design. A critical part of the HBTSC fabrication is the implementation of the middle contact, the one associated to the base layer in the transistor structure, because this layer can be damaged by the diffusion of metallic species during contact annealing. As a solution we propose to implement a "compensated contact", that is, to leave a thin (< 200 nm) portion of emitter or collector between the base layer and the contact metals and compensate its doping during contact annealing. Using an Au/Zn/Au metal structure to compensate a 150 nm thick portion of the collector, we obtain a specific contact resistance ~8 10-4 ..omega.. cm2. This value is fairly invariant for annealing temperatures between 400 and 460 degrees C and annealing times between 2 and 5 minutes, and it does not improve by adding Pd to the metallic stack. Optimizing the compensated contact technology opens the path to the realization of III-V-material-based HBTSCs with open-circuit voltages and fill factors comparable to those of conventional multijunction architectures.

contact resistance↗
NASA NTRS2013

Piezoelectric Resonator with Two Layers

A piezoelectric resonator device includes: a top electrode layer with a patterned structure, a top piezoelectric layer adjacent to the top layer, a middle metal layer adjacent to the top piezoelectric layer opposite the top layer, a bottom piezoelectric layer adjacent to the middle layer opposite the top piezoelectric layer, and a bottom electrode layer with a patterned structure and adjacent to the bottom piezoelectric layer opposite the middle layer. The top layer includes a first plurality of electrodes inter-digitated with a second plurality of electrodes. A first one of the electrodes in the top layer and a first one of the electrodes in the bottom layer are coupled to a first contact, and a second one of the electrodes in the top layer and a second one of the electrodes in the bottom layer are coupled to a second contact.

Stephanou, Philip J.↗
NASA NTRS1992

Structure of the magnetopause current layer at the subsolar point

Attention is given to a 1D electromagnetic particle simulation model developed for the magnetopause current layer between the shocked solar wind and the dipole magnetic field at the subsolar point, which was extended to include the IMF in the solar wind. Interaction of the solar wind with the vacuum dipole field as well as the dipole field filled with a low-density magnetospheric plasma are investigated. The width and structure of the magnetopause current layer are found to differ markedly depending on the direction of the IMF. When the IMF is pointing southward, the current layer between the solar wind and the dipole field is narrow, and the magnetic field has a single ramp structure caused by the reflection of the solar wind at that point. The current layer becomes several times wider and the magnetic field develops a multiple ramp structure when the IMF is northward. Comparisons of these simulation results with the recent spacecraft data of the magnetopause crossing near the subsolar point are provided.

Okuda, H.↗