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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
DOE OSTI2019

Investigation into the Influence of a Buffer Layer of Nanoporous Silicon on the Atomic and Electronic Structure and Optical Properties of A{sup III}N/por-Si Heterostructures Grown by Plasma-Activated Molecular-Beam Epitaxy

The influence of using a buffer sublayer of nanoporous por-Si on the morphological, physical, and structural properties of nanocolumnar In{sub x}Ga{sub 1 –x}N structures fabricated by plasma-activated molecular-beam epitaxy on single-crystal Si(111) substrates is shown. Using a set of structural-spectroscopic analytical methods, the electronic structure of the grown heterostructures, morphology, and optical properties are investigated, and the interrelations between them are established. It is shown that the use of a por-Si sublayer makes it possible to attain a more uniform distribution of diameters of In{sub x}Ga{sub 1 –x}N nanocolumns and to increase the photoluminescence intensity of the latter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Surface modification induced phase transformation and structure variation on the rapidly solidified recast layer of titanium

In this study, neodymium-doped yttrium orthovanadate (Nd:YVO{sub 4}) as a laser source with different scanning speeds was used on biomedical Ti surface. The microstructural and biological properties of laser-modified samples were investigated by means of optical microscope, electron microscope, X-ray diffraction, surface roughness instrument, contact angle and cell cytotoxicity assay. After laser modification, the rough volcano-like recast layer with micro-/nanoporous structure and wave-like recast layer with nanoporous structure were generated on the surfaces of laser-modified samples, respectively. It was also found out that, an α → (α + rutile-TiO{sub 2}) phase transition occurred on the recast layers of laser-modified samples. The Ti surface becomes hydrophilic at a high speed laser scanning. Moreover, the cell cytotoxicity assay demonstrated that laser-modified samples did not influence the cell adhesion and proliferation behaviors of osteoblast (MG-63) cell. The laser with 50 mm/s scanning speed induced formation of rough volcano-like recast layer accompanied with micro-/nanoporous structure, which can promote cell adhesion and proliferation of MG-63 cell on Ti surface. The results indicated that the laser treatment was a potential technology to enhance the biocompatibility for titanium. - Highlights: • Laser induced the formation of recast layer with micro-/nanoporous structure on Ti. • An α → (α + rutile-TiO{sub 2}) phase transition was observed within the recast layer. • The Ti surface becomes hydrophilic at a high speed laser scanning. • Laser-modified samples exhibit good biocompatibility to osteoblast (MG-63) cell.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The roll-up and merging of coherent structures in shallow mixing layers

The current study seeks a fundamental explanation to the development of two-dimensional coherent structures (2DCSs) in shallow mixing layers. A nonlinear numerical model based on the depth-averaged shallow water equations is used to investigate the temporal evolution of shallow mixing layers, where the mapping from temporal to spatial results is made using the velocity at the center of the mixing layers. The flow is periodic in the streamwise direction. Transmissive boundary conditions are used in the cross-stream boundaries to prevent reflections. Numerical results are compared to linear stability analysis, mean-field theory, and secondary stability analysis. Results suggest that the onset and development of 2DCS in shallow mixing layers are the result of a sequence of instabilities governed by linear theory, mean-field theory, and secondary stability theory. The linear instability of the shearing velocity gradient gives the onset of 2DCS. When the perturbations reach a certain amplitude, the flow field of the perturbations changes from a wavy shape to a vortical (2DCS) structure because of nonlinearity. The development of the vertical 2DCS does not appear to follow weakly nonlinear theory; instead, it follows mean-field theory. After the formation of 2DCS, separate 2DCSs merge to form larger 2DCS. In this way, 2DCSs grow and shallow mixing layers develop and grow in scale. The merging of 2DCS in shallow mixing layers is shown to be caused by the secondary instability of the 2DCS. Eventually 2DCSs are dissipated by bed friction. The sequence of instabilities can cause the upscaling of the turbulent kinetic energy in shallow mixing layers.

42 ENGINEERING↗
DOE OSTI2022

Methods for forming electrocatalyst structures and electrodes comprising same

Described herein are methods of forming an electrocatalyst structure on an electrode, comprising depositing a first layer on the electrode using atomic layer deposition (ALD), wherein the first layer comprises a plurality of discrete nanoparticles of a first electrocatalyst, and depositing one or more of a second layer on the first layer and the electrode using ALD, wherein the one or more second layer comprises a second electrocatalyst, wherein the first layer and the one or more second layers, collectively, form a multi-layer electrocatalyst structure on the electrode. Also described are electrodes having a multi-layer electrocatalyst structure. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

Song, Xueyan↗
DOE OSTI2020

Aspects of the synthesis of thin film superconducting infinite-layer nickelates

The recent observation of superconductivity in Nd 0.8 Sr 0.2 NiO 2 calls for further investigation and optimization of the synthesis of this infinite-layer nickelate structure. Here, we present our current understanding of important aspects of the growth of the parent perovskite compound via pulsed laser deposition on SrTiO 3 (001) substrates and the subsequent topotactic reduction. We find that to achieve single-crystalline, single-phase superconducting Nd 0.8 Sr 0.2 NiO 2 , it is essential that the precursor perovskite Nd 0.8 Sr 0.2 NiO 3 thin film is stabilized with no visible impurity phases; in particular, a Ruddlesden–Popper-type secondary phase is often observed. We have further investigated the evolution of the soft-chemistry topotactic reduction conditions to realize full transformation to the infinite-layer structure with no film decomposition or formation of other phases. We find that capping the nickelate film with a subsequent SrTiO 3 layer provides an epitaxial template to the top region of the nickelate film, much like the substrate. Thus, for currently optimized growth conditions, we can stabilize superconducting single-phase Nd 0.8 Sr 0.2 NiO 2 (001) epitaxial thin films up to ~10 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Selectively catalytic activity of metal–organic frameworks depending on the N-position within the pyridine ring of their building blocks

Iron metal–organic frameworks (MOFs) [Fe(L){sub 2}(SCN){sub 2}]{sub ∝} (L1: 4-bpdh=2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene for 1Fe; and L2: 3-bpdh=2,5-bis(3-pyridyl)-3,4-diaza-2,4-hexadiene for 2Fe) were assembled in a MeOH–H{sub 2}O solvent system. 1Fe exhibits a two-dimensional extended-grid network, whereas 2Fe exhibits a stair-like double-chain; the N-position within the pyridine ring of the complexes was observed to regulate the MOF structure as layers or chains. Furthermore, selectively catalytic activity was observed for the layered MOF but not the chain-structured MOF; micro/nanoparticles of the layered MOF were therefore investigated for new potential applications of micro/nano MOFs. - Graphical abstract: Iron metal–organic frameworks (MOFs) [Fe(L){sub 2}(SCN){sub 2}]{sub ∝} (L1: 4-bpdh=2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene for 1Fe; and L2: 3-bpdh=2,5-bis(3-pyridyl)-3,4-diaza-2,4-hexadiene for 2Fe) were assembled in a MeOH–H{sub 2}O solvent system. The N-position within the pyridine ring of the complexes was observed to regulate the MOF structure as layers or chains. Selectively catalytic activity was observed for the layered MOF but not the chain-structured MOF. - Highlights: • Synthesis and structure of metal–organic framework [Fe(L){sub 2}(SCN){sub 2}]{sub ∝}. • Selectively catalytic activity depending on the N-position within the pyridine ring. • The degradation and conversion of methyl orange.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Structures Of Turbulent Boundary Layers

Report presents second part of two-part comprehensive study of coherent motions in, and structures of, turbulent boundary-layer flows. Study critically reviews current fragmented knowledge with view toward eventual unification and understanding of physical causes and statistical properties of turbulence phenomena.

Robinson, Stephen K.↗
DOE OSTI2020

Probing Thermal Stability of Li-Ion Battery Ni-Rich Layered Oxide Cathodes by means of Operando Gas Analysis and Neutron Diffraction

Thermal stability is a crucial parameter that must be considered within the overall performance metrics of Ni-rich layered oxide cathodes. While the intrinsic structural stability of the cathode materials under thermal conditions is important, it is also critical to consider their reaction with electrolytes. In this study, operando gas analysis, ex situ neutron diffraction, and differential scanning calorimetry were combined to give a broader picture of the thermal stability of Ni-rich NMC cathodes. Li 1– x Ni 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) composite materials with four different states of charge were investigated with and without the presence of an electrolyte. It has been found that electrolyte can greatly accelerate both the structural and thermal decomposition of the cathode materials. A higher state of charge will also make cathode materials more susceptible to thermal shock. Without an electrolyte, O 2 release inducing a structural change from layered to rock salt was the major observation during thermal runaway. However, all samples retained some levels of layered structure after annealing up to 300 °C without the electrolyte. In comparison, almost all the O3-type layered phase transformed to the rock-salt phase for the cathode materials heated with the electrolyte at the same experimental conditions. Moreover, the amount of CO 2 increased by nearly two orders of magnitude when annealing cathode materials with electrolyte in operando gas analysis experiments. More delithiated NMC811 samples released larger amounts of CO 2 at earlier onset temperatures, resonating well with the differential scanning calorimetry (DSC) results showing that more delithiated samples release more heat during thermal shock.

25 ENERGY STORAGE↗
NASA NTRS1992

Sensitivity of the structure of untripped mixing layers to small changes in initial conditions

An experimental study was conducted concerning the influence of small changes in initial conditions on the near- and far-field evolution of the three-dimensional structure of a plan mixing layer. A two-stream mixing layer with a velocity ratio of 0.6 was generated with the initial boundary layers on the splitter plate laminar and was nominally two-dimensional. The initial conditions were changed slightly by interchanging the high- and low-speed sides of the wind tunnel, while maintaining the same velocities, and hence velocity ratio. This resulted in small changes in the initial boundary layer properties, and the perturbations present in the boundary layers were interchanged between the high- and low-speed sides for the two cases. The results indicate that, even with this relatively minor change in initial conditions, the near-field regions of the two cases differ significantly. The peak Reynolds stress levels in the near-field differ by up to 100 percent, and this is attributed to a difference in the location of the initial spanwise vortex roll-up. In addition, the positions and shapes of the individual streamwise vortical structures differ for the two cases, although the overall structures differ for the two cases, although the overall qualitative description of these structures is comparable. The subsequent reorganization and decay of the streamwise vortical structures is very similar for the two cases. As a result, in the far field, both mixing layers achieve similar structure, yielding comparable growth rates, Reynolds stress, distribution, and spectral content.

Plesniak, M. W.↗
DOE OSTI2018

Atomic-layer-resolved composition and electronic structure of the cuprate B i 2 S r 2 CaC u 2 O 8 + δ from soft x-ray standing-wave photoemission

A major remaining challenge in the superconducting cuprates is the unambiguous differentiation of the composition and electronic structure of the CuO 2 layers and those of the intermediate layers. The large c axis for these materials permits employing soft x-ray (930.3 eV) standing wave (SW) excitation in photoemission that yields atomic layer-by-layer depth resolution of these properties. Applying SW photoemission to Bi 2 Sr 2 CaCu 2 O 8+δ yields the depth distribution of atomic composition and the layer-resolved densities of states. We detect significant Ca presence in the SrO layers and oxygen bonding to three different cations. The layer-resolved valence electronic structure is found to be strongly influenced by the atomic supermodulation structure, as determined by comparison to density functional theory calculations, by Ca-Sr intermixing, and by correlation effects associated with the Cu 3 d -3 d Coulomb interaction, further clarifying the complex interactions in this prototypical cuprate. Here, measurements of this type for other quasi-two-dimensional materials with large c represent a promising future direction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Mild Hydrothermal Crystal Growth of Two Luminescing Uranyl Phosphates Exhibiting an Autunite-Type Sheet Structure

Two new layered uranyl phosphate compounds, K(UO 2 )PO 4 (H 2 O) 3 and Na(UO 2 )PO 4 (H 2 O) 1.52 , crystallizing in an autunite-type sheet structure, were successfully synthesized as both single-crystals and polycrystalline powders under mild hydrothermal conditions. The compound K(UO 2 )PO 4 (H 2 O) 3 crystallizes in the tetragonal crystal system with the space group P4/ncc, exhibiting lattice parameters of a = b = 6.99320(7) Å and c = 17.8389(3) Å. Similarly, Na(UO 2 )PO 4 (H 2 O) 1.52 also crystallizes in the tetragonal crystal system, however, in the space group P4/nmm and exhibits lattice parameters of a = b = 6.9787 Å and c = 8.6303(17) Å. Both compounds adopt layered structures, a characteristic feature of uranyl phosphates, and exhibit intense green fluorescence typical for uranyl-containing materials. As a result, the infrared spectroscopy, photoluminescence, and scintillation properties of these compounds were investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Convective structure of the planetary boundary layer of the ocean during gale

The structure of the Planetary Boundary Layer (PBL) was measured, using an airborne lidar, over the Atlantic Ocean during several intensive observation periods of the Genesis of Atlantic Lows Experiment (GALE). Primary emphasis is on the understanding of the convective structure within the PBL during cold air outbreaks. Cold outbreaks generally occur in between the development of coastal storms; and behind a cold front sweeping down from Canada out across the Atlantic. As the cold dry air moves over the relatively warm ocean, it is heated and moistened. The transfer of latent and sensible heat during these events accounts for most of the heat transfer between the ocean and atmosphere during winter. Moistening of the PBL during these eventsis believed to be an important factor in determining the strength of development of the storm system which follows. In general, the more PBL moisture available as latent heat the higher the probability the storm will intensify. The major mechanism for vertical mixing of heat and mositure within the PBL is cellular convection. Knowlede of the organization and structure of the convection is important for understanding the process.

Melfi, S. H.↗
DOE OSTI2019

Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides

Hybrid halide double perovskites are a class of compounds attracting growing interest due to their richness of structure and property. Two-dimensional (2D) derivatives of hybrid double perovskites are formed by the incorporation of organic spacer cations into three-dimensional (3D) double perovskites. Here, we report a series of seven new layered double perovskite halides with propylammonium (PA), octylammonium (OCA), and 1,4-butyldiammonium (BDA) cations. The general formulas of the compounds are A m M I M III X 8 (single-layered Ruddlesden–Popper type with m = 4 and A = PA or OCA, and single-layered Dion–Jacobson type with m = 2 and A = BDA, M I = Ag, M III = In or Bi, X = Cl or Br) and PA 2 Cs M I M III Br 7 (bilayered, with M I = Ag, M III = In or Bi). These families of compounds demonstrate significant versatility, with tunable layer thickness, the ability to vary the interlayer spacing, and the ability to selectively tune the band gap by varying the M I and M III cations along with the halide anions. The band gap of the single-layered materials varies from 2.41 eV for PA 4 AgBiBr 8 to 3.96 eV for PA 4 AgInCl 8 . Photoluminescent emission spectra of the layered double perovskites at low-temperature (100 K) are reported, and density functional theory electronic structure calculations are presented to understand the nature of the band gap evolution. The development of new structural and compositions in layered double perovskite halides enhances the understanding of structure–property relations in this important family.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Behavior of streamwise rib vortices in a three-dimensional mixing layer

The structure and behavior of a streamwise rib vortex in a direct numerical simulation of a time-developing three-dimensional incompressible plane mixing layer is examined. Where the rib vortex is being stretched, the vorticity vector is primarily directed in the vortex axial direction and the radial and azimuthal velocity distribution is similar to that of a Burger's vortex. In the region where the vortex stretching is negative, there is a change in the local topology of the vortex. The axial flow is decelerated and a negative azimuthal component of vorticity is induced. These features are characteristic of vortex breakdown. The temporal evolution of the rib vortex is similar to the evolution of an axisymmetric vortex in the early stages of vortex breakdown. The effect of vortex breakdown on other parts of the flow is, however, not as significant as the interaction between the rib vortex and other vortices.

Lopez, J. M.↗
DOE OSTI2017

Magnetism in structures with ferromagnetic and superconducting layers

The influence of superconductivity on ferromagnetism in the layered Ta/V/Fe{sub 1–x}V{sub x}/V/Fe{sub 1–x}V{sub x}/Nb/Si structures consisting of ferromagnetic and superconducting layers is studied using polarized neutron reflection and scattering. It is experimentally shown that magnetic structures with linear sizes from 5 nm to 30 μm are formed in these layered structures at low temperatures. The magnetization of the magnetic structures is suppressed by superconductivity at temperatures below the superconducting transition temperatures in the V and Nb layers. The magnetic states of the structures are shown to undergo relaxation over a wide magnetic-field range, which is caused by changes in the states of clusters, domains, and Abrikosov vortices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Direct Observation of Defect‐Aided Structural Evolution in a Nickel‐Rich Layered Cathode

Abstract Ni‐rich LiNi 1− x − y Mn x Co y O 2 (NMC) layered compounds are the dominant cathode for lithium ion batteries. The role of crystallographic defects on structure evolution and performance degradation during electrochemical cycling is not yet fully understood. Here, we investigated the structural evolution of a Ni‐rich NMC cathode in a solid‐state cell by in situ transmission electron microscopy. Antiphase boundary (APB) and twin boundary (TB) separating layered phases played an important role on phase change. Upon Li depletion, the APB extended across the layered structure, while Li/transition metal (TM) ion mixing in the layered phases was detected to induce the rock‐salt phase formation along the coherent TB. According to DFT calculations, Li/TM mixing and phase transition were aided by the low diffusion barriers of TM ions at planar defects. This work reveals the dynamical scenario of secondary phase evolution, helping unveil the origin of performance fading in Ni‐rich NMC.

Li, Shuang↗
NASA NTRS1981

A class of unsteady, three-dimensional flow structures in turbulent boundary layers

A restricted class of mathematically admissible, unsteady, three dimensional flows was identified which may constitute part of the structure observed in turbulent boundary layers. The development of the model and some general results are discussed. The resulting solution has characteristics which suggest how upwelling low speed flow can trigger a downward jetting of irrotational high speed fluid into the boundary layer.

Ash, R. L.↗