Search NASA⌕ Search

SEARCH · Search NASA

Results for “Layered structures”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl 3

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, -RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of -RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of 0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual -RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Process for making manganese dioxide and its polymorphs reversible

A method of forming a layered manganese dioxide for use in a cathode of a battery comprises disposing a cathode into a housing of an electrochemical cell, disposing an anode into the housing, disposing a polymeric separator between the anode and the cathode such that the anode and the cathode are electrically separated, adding an alkaline electrolyte to the housing, cycling the electrochemical cell into the 2nd electron capacity of the manganese dioxide, and forming a layered manganese dioxide having a layered manganese dioxide structure with the one or more additives incorporated into the layered manganese dioxide structure. The cathode comprising a cathode material comprising: a manganese dioxide compound, one or more additives selected from the group consisting of bismuth, copper, tin, lead, silver, cobalt, nickel, magnesium, aluminum, potassium, lithium, calcium, gold, antimony, iron, zinc, and combinations thereof, and a conductive carbon.

Yadav, Gautam G.↗
DOE OSTI2017

Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3 NH 3 ) 2 CdX 4 (X = Cl, Br, I)

Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2 CdX 4 (MA = CH 3 NH 3 ; X = Cl, Br, I). MA 2 CdI 4 is a new compound, whereas, for MA 2 CdCl 4 and MA 2 CdBr 4 , structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2 CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variable temperature powder X-ray diffraction measurements suggest that MA 2 CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2 CdBr 4 and MA 2 CdI 4 adopt 0D K 2 SO 4 -derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2 CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2 CdCl 4 is air-stable, whereas MA 2 CdBr 4 and MA 2 CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2 CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2 CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2 CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2 CdX 4 . On the basis of our combined experimental and computational results, MA 2 CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

High antiferromagnetic transition temperature of a honeycomb compound SrRu 2 O 6

We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu 2 O 6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu 2 O 6 crystallizes into the hexagonal lead antimonate (PbSb 2 O 6 , space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr 2+ ions. SrRu 2 O 6 is found to order at T N = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) μ B /Ru at room temperature and is along the crystallographic c axis in the G-type magnetic structure. We perform density functional calculations with constrained random-phase approximation (RPA) to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t 2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed T N .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Spontaneous transport barriers quench turbulent resistivity in two-dimensional magnetohydrodynamics

This Rapid Communication identifies the physical mechanism for the quench of turbulent resistivity in two-dimensional magnetohydrodynamics. Without an imposed, ordered magnetic field, a multiscale, blob-and-barrier structure of magnetic potential forms spontaneously. Magnetic energy is concentrated in thin, linear barriers, located at the interstices between blobs. The barriers quench the transport and kinematic decay of magnetic energy. The local transport bifurcation underlying barrier formation is linked to the inverse cascade of $\langle$A$^{2}$$\rangle$ and negative resistivity, which induce local bistability. For small-scale forcing, spontaneous layering of the magnetic potential occurs, with barriers located at the interstices between layers. This structure is effectively a magnetic staircase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Modeling the Environment-Dependent Kinetics of Oxygen Reduction Reaction – a Continuum Model for Electric Double Layer

Here, for proton-exchange-membrane fuel cells (PEMFCs) to achieve broad commercialization, improved energy-conversion efficiency with minimal Pt-based electrocatalyst is required. Because the sluggish rate of oxygen reduction reaction (ORR) limits the efficiency of PEMFCs, the efficiency improvement requires a better understanding of ORR kinetics and mechanism to design better catalyst. To understand the ORR mechanism, theoretical and experimental analyses have been conducted. While previous studies reasonably explained the catalyst-dependent activity on single crystal catalysts in 0.1 M perchloric acid solution, the explicit effect of electrolyte and related microenvironments is not thoroughly understood. The change in the electrolyte alters the electric-double-layer (EDL) structure and thus the local microenvironment at the electrode/electrolyte interface. Thus, the structure of the EDL should be carefully analyzed to uncover the electrolyte-dependent reaction kinetics. In this talk, we propose a multiscale continuum model to predict the EDL structure and examine the effect of perchloric acid concentration on ORR activity on Pt (111). The model includes Density Potential Functional Theory (DPFT) for electron density and Modified Poisson Boltzmann equation for species’ density and electric potential. Also, the interaction between adsorbents and electric field is taken into account by minimizing the grand potential. After model validation with experimentally measured double-layer capacity data as a function of applied potential and concentration, the effect of the perchloric acid concentration (0.02 M – 0.2 M) on ORR activity is analyzed and discussed. It is shown that the model reproduces the specific activity obtained in the experiments when assuming the oxygen adsorption is limiting the rate, which can be attributed to the large energetic barrier for solvent reorganization. Then, extension of the model to PEMFC ionomer electrolytes will be introduced. Overall, the model framework and findings provide insights into the ORR mechanism and guidance on how to tailor catalyst materials for increased PEMFC performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Diagnosing the pedestal magnetic field and magnetohydrodynamics radial structure with pedestal–scrape of layer electron cyclotron emission radiation inversion in H-mode plasma (invited)

Forward modeling is used to interpret inversion patterns of the pedestal–Scrape of Layer (SOL) Electron Cyclotron Emission (ECE) in DIII-D H-mode experiments. The modeling not only significantly improves the ECE data interpretation quality but also leads to the potential measurements of (1) the magnetic field strength |B| at the separatrix, (2) the pedestal |B| evolution during an inter-Edge Localized Mode (ELM) period, and (3) the pedestal Magnetohydrodynamics (MHD) radial structure. The ECE shine-through effect leads to three types of pedestal–SOL radiation inversions that are discussed in this paper. The first type of inversion is the non-monotonic T e,rad profile with respect to the major radius. Using the ECE frequency at the minimum T e,rad , the inversion can be applied to measure the magnetic field |B| at the separatrix and calibrate the mapping of the ECE channels with respect to the separatrix. The second type of inversion refers to the opposite phase between the radiation fluctuations δT e,rad at the pedestal and SOL. This δT e,rad phase inversion is sensitive to density and temperature fluctuations at the pedestal foot and, thus, can be used to qualitatively measure the MHD radial structure. The third type of inversion appears when the pedestal and SOL T e,rad evolve in an opposite trend, which can be used to infer the pedestal |B| field change during an inter-ELM period. Finally, the bandwidth effect on measuring δT e,rad due to pedestal MHD is also investigated in the radiation modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1999

Large Eddy Simulation of Cirrus Clouds

The Regional Atmospheric Modeling System (RAMS) with mesoscale interactive nested-grids and a Large-Eddy Simulation (LES) version of RAMS, coupled to two-moment microphysics and a new two-stream radiative code were used to investigate the dynamic, microphysical, and radiative aspects of the November 26, 1991 cirrus event. Wu (1998) describes the results of that research in full detail and is enclosed as Appendix 1. The mesoscale nested grid simulation successfully reproduced the large scale circulation as compared to the Mesoscale Analysis and Prediction System's (MAPS) analyses and other observations. Three cloud bands which match nicely to the three cloud lines identified in an observational study (Mace et al., 1995) are predicted on Grid #2 of the nested grids, even though the mesoscale simulation predicts a larger west-east cloud width than what was observed. Large-eddy simulations (LES) were performed to study the dynamical, microphysical, and radiative processes in the 26 November 1991 FIRE 11 cirrus event. The LES model is based on the RAMS version 3b developed at Colorado State University. It includes a new radiation scheme developed by Harrington (1997) and a new subgrid scale model developed by Kosovic (1996). The LES model simulated a single cloud layer for Case 1 and a two-layer cloud structure for Case 2. The simulations demonstrated that latent heat release can play a significant role in the formation and development of cirrus clouds. For the thin cirrus in Case 1, the latent heat release was insufficient for the cirrus clouds to become positively buoyant. However, in some special cases such as Case 2, positively buoyant cells can be embedded within the cirrus layers. These cells were so active that the rising updraft induced its own pressure perturbations that affected the cloud evolution. Vertical profiles of the total radiative and latent heating rates indicated that for well developed, deep, and active cirrus clouds, radiative cooling and latent heating could be comparable in magnitude in the cloudy layer. This implies that latent heating cannot be neglected in the construction of a cirrus cloud model. The probability density function (PDF) of w was analyzed to assist in the parameterization of cloud-scale velocities in large-scale models. For the more radiatively-driven, thin cirrus case, the PDFs are approximately Gaussian. However, in the interior of the deep, convectively unstable case, the PDFs of w are multi-modal and very broad, indicating that parameterizing cloud-scale motions for such clouds can be very challenging. The results of this research are described in detail in a paper submitted to the Journal of Atmospheric Science (Wu and Cotton, 1999), which is enclosed as Appendix 2. Using soundings extracted from a mesoscale simulation of the November 26, 1991 cirrus event, the radiative effects on vapor deposition/sublimation of ice crystals was studied using a two-dimensional cloud-resolving model (CRM) version of RAMS, coupled to an explicit bin-resolving microphysics. The CRM simulations of the November 26, 1991 cirrus event demonstrate that the radiative impact on the diffusional growth (or sublimation) of ice crystals is significant. In this case, the ice particles experienced radiative warming. Model results show that radiative feedbacks in the diffusional growth of ice particles can be very complex. Radiative warming of an ice particle will restrict the particle's diffusional growth. In the case of radiative warming, ice particles larger than a certain size will experience so much radiative warming that surface ice saturation vapor pressures become large enough to cause sublimation of the larger crystals, while smaller crystals are growing by vapor deposition. However, ice mass production can be enhanced in the case of radiative cooling of an ice particle. For the November 26, 1991 cirrus event, radiative feedback results in significant reduction in the total ice mass, especially in the production of large ice crystals, and consequently, both radiative and dynamic properties of the cirrus cloud are significantly affected. A complete description of this research has been submitted as a paper to the Journal of Atmospheric Science (Wu et al., 1999), and included as Appendix 3.

Wu, Ting↗
DOE OSTI2016

Structural phase transitions of (Bi 1$-$x Sb x ) 2 (Te 1$-$y Se y ) 3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites

Recently, A 2 B 3 -type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi 2 Te 2 Se, BiSbTeSe 2 , and Sb 2 Te 2 Se tetradymites under high pressure. Bi 2 Te 2 Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi 2 Te 3 . Thus, the compression behavior of Bi 2 Te 2 Se is the same as that of Bi 2 Se 3 , which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe 2 and Sb 2 Te 2 Se undergo similar structural phase transitions to Bi 2 Te 2 Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A 2 B 3 -type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of nickel seed layer on growth of α-V{sub 2}O{sub 5} nanostructured thin films

In this communication, we reported the role of Ni seed layer on the growth of vanadium pentoxide (α-V{sub 2}O{sub 5}) nanostructured thin films (NSTs) using plasma assisted sublimation process (PASP). Two different substrates, simple glass substrate and the Ni coated glass substrate (Ni thickness ∼ 100 nm) are employing in the present work. The influence of seed layer on structural, morphological, and vibrational properties have been studied systematically. The structural analysis divulged that both films deposited on simple glass as well as on Ni coated glass shown purely orthorhombic phase, no other phases are detected. The morphological studies of V{sub 2}O{sub 5} film deposited on both substrates are carried out by SEM, revealed that features of V{sub 2}O{sub 5} NSTs is completely modified in presence of Ni seed layer and the film possessing the excellent growth of nanorods (NRs) on Ni coated glass rather than simple glass. The HRTEM analysis of NRs is performed at very high magnification, shows very fine fringe pattern, which confirmed the single crystalline nature of nanorods. The vibrational study of NRs is performed using micro-Raman spectroscopy, which strongly support the XRD observations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Perpendicular magnetic anisotropy of amorphous [CoSiB/Pt]{sub N} thin films

Materials with perpendicular magnetic anisotropy (PMA) have been intensively studied for high-density nonvolatile memory such as spin-transfer-torque magnetic random access memory with low switching current density and high thermal stability. Compared with crystalline PMA multilayers, considerable works have been done on amorphous PMA multilayers because the amorphous materials are expected to have lower pinning site density as well as smaller domain wall width. This study is an overview of the PMA properties of amorphous [CoSiB/Pt]{sub N} multilayers with varying N, where the energy contribution is changed from domain wall energy to magnetostatic energy around N = 6. By measuring the field-induced domain wall motion, we obtain the creep exponent of μ = 1/4. These results in the amorphous PMA multilayers of [CoSiB/Pt]{sub N} demonstrate possible potential as a free layer for PMA-based memory devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2009

Steady-State ALPS for Real-Valued Problems

The two objectives of this paper are to describe a steady-state version of the Age-Layered Population Structure (ALPS) Evolutionary Algorithm (EA) and to compare it against other GAs on real-valued problems. Motivation for this work comes from our previous success in demonstrating that a generational version of ALPS greatly improves search performance on a Genetic Programming problem. In making steady-state ALPS some modifications were made to the method for calculating age and the method for moving individuals up layers. To demonstrate that ALPS works well on real-valued problems we compare it against CMA-ES and Differential Evolution (DE) on five challenging, real-valued functions and on one real-world problem. While CMA-ES and DE outperform ALPS on the two unimodal test functions, ALPS is much better on the three multimodal test problems and on the real-world problem. Further examination shows that, unlike the other GAs, ALPS maintains a genotypically diverse population throughout the entire search process. These findings strongly suggest that the ALPS paradigm is better able to avoid premature convergence then the other GAs.

Hornby, Gregory S.↗
NASA NTRS1979

An Experimental Investigation of Forced Mixing of a Turbulent Boundary Layer in an Annular Diffuser

The forced mixing process of a turbulent boundary layer in an axisymmetric annular diffuser using conventional wing-like vortex generators was studied. Flow field measurements were made at four axial locations downstream of the vortex generators. At each axial location, a total of 25 equally spaced profiles were measured behind three consecutive vortex generators which formed two pairs of vortex generators. Hot film anemometry probes measured the boundary layer turbulence structure at the same locations where pressure measurements were made. Both single and cross film probes were used. The diffuser turbulence data was teken only for a nominal inlet Mach number of 0.3. Three vortex generator configurations were tested. The differences between configurations involved changes in size and relative vortex generator positions. All three vortex generator configurations tested provided increases in diffuser performance. Distinct differences in the boundary layer integral properties and skin friction levels were noted between configurations. The axial turbulence intensity and Reynolds stress profiles measured displayed similarities in trends but differences in levels for the three configurations.

Shaw, R. J.↗
NASA NTRS1988

Mars rover sample return: An exobiology science scenario

A mission designed to collect and return samples from Mars will provide information regarding its composition, history, and evolution. At the same time, a sample return mission generates a technical challenge. Sophisticated, semi-autonomous, robotic spacecraft systems must be developed in order to carry out complex operations at the surface of a very distant planet. An interdisciplinary effort was conducted to consider how much a Mars mission can be realistically structured to maximize the planetary science return. The focus was to concentrate on a particular set of scientific objectives (exobiology), to determine the instrumentation and analyses required to search for biological signatures, and to evaluate what analyses and decision making can be effectively performed by the rover in order to minimize the overhead of constant communication between Mars and the Earth. Investigations were also begun in the area of machine vision to determine whether layered sedimentary structures can be recognized autonomously, and preliminary results are encouraging.

Rosenthal, D. A.↗
DOE OSTI2016

Cryogenic hydrogen fuel for controlled inertial confinement fusion (formation of reactor-scale cryogenic targets)

In inertial fusion energy research, considerable attention has recently been focused on low-cost fabrication of a large number of targets by developing a specialized layering module of repeatable operation. The targets must be free-standing, or unmounted. Therefore, the development of a target factory for inertial confinement fusion (ICF) is based on methods that can ensure a cost-effective target production with high repeatability. Minimization of the amount of tritium (i.e., minimization of time and space at all production stages) is a necessary condition as well. Additionally, the cryogenic hydrogen fuel inside the targets must have a structure (ultrafine layers—the grain size should be scaled back to the nanometer range) that supports the fuel layer survivability under target injection and transport through the reactor chamber. To meet the above requirements, significant progress has been made at the Lebedev Physical Institute (LPI) in the technology developed on the basis of rapid fuel layering inside moving free-standing targets (FST), also referred to as the FST layering method. Owing to the research carried out at LPI, unique experience has been gained in the development of the FST-layering module for target fabrication with an ultrafine fuel layer, including a reactor- scale target design. This experience can be used for the development of the next-generation FST-layering module for construction of a prototype of a target factory for power laser facilities and inertial fusion power plants.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Surface structure of Sn doped β-Ga 2 O 3 (010) p(1×1) studied by quantitative low energy electron diffraction

Here, we have studied the surface structure of a single crystal β-Ga 2 O 3 (010) using quantitative Low Energy Electron Diffraction (LEED) and X-ray photoelectron spectroscopy (XPS). The XPS measurements show spectra typical of stoichiometric Ga 2 O 3 with a clean surface. LEED consistently shows a p(1x1) pattern, free of surface reconstruction. Quantitative LEED I(V) curves are acquired for 41 distinct diffraction spots. The experimental I(V) curves are compared to simulations over the first five layers. The best fits to the experimental LEED I(V) curves acquired at all diffraction spots are then used to calculate the interplanar relaxation and atomic rumpling. Significant atomic rumpling and interplanar relaxation are found over the first 5 atomic layers. As a result of rumpling a polarization of ~ 2 μC/cm 2 develops in the topmost surface layer. The structural results are in good agreement with previous density functional theory calculations and experimental X-ray photoelectron diffraction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

IrGe 4 : A Predicted Weyl-Metal with a Chiral Crystal Structure

Polycrystalline IrGe4 was synthesized by annealing elements at 800 °C for 240 h, and the composition was confirmed by energy-dispersive X-ray spectroscopy. IrGe 4 adopts a chiral crystal structure (space group P3 1 21) instead of a polar crystal structure (P3 1 ), which was corroborated by the convergent-beam electron diffraction and Rietveld refinements using synchrotron powder X-ray diffraction data. The crystal structure features layers of IrGe 8 polyhedra along the b axis, and the layers are connected by edge- and corner-sharing. Each layer consists of corner-shared [Ir 3 Ge 20 ] trimers, which are formed by three IrGe 8 polyhedra connected by edge-sharing. Temperature-dependent resistivity indicates metallic behavior. The magnetoresistance increases with increasing applied magnetic field, and the nonsaturating magnetoresistance reaches 11.5% at 9 T and 10 K. The Hall resistivity suggests that holes are the majority carrier type, with a carrier concentration of 4.02 × 10 21 cm –3 at 300 K. In conclusion, electronic band structures calculated by density functional theory reveal a Weyl point with a chiral charge of +3 above the Fermi level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗