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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

An Overview on the Local Atomic Displacements and Electronic Structures in BiS{sub 2}/BiSe{sub 2}-Based Superconductors

Superconductivity with layered structure has attracted intensive research interests due to their exotic superconducting properties. In 2012, a new family of BiS{sub 2}-based superconductor with their desired layered structure has been discovered. Recently, the isostructural superconductor with the substitution of Se for all S ions in BiS{sub 2}-based compounds is recognized as the BiSe{sub 2}-based superconductors. To date, enormous efforts were dedicated to explore the physical properties of this new family. Among them, synchrotron radiation-based X-ray absorption spectroscopy (XAS) contributed significantly to the understanding of local atomic structure and the electronic structure of BiS{sub 2}/BiSe{sub 2}-based systems. This article reviewed the progresses in the study of the new BiS{sub 2}/BiSe{sub 2}-based materials revealed by the unique technique XAS, including the determination of valence state, local atomic displacements, as well as the different structural distortion between BiS{sub 2}-based and BiSe{sub 2}-based systems. The superconductivity of BiS{sub 2}- and BiSe{sub 2}-based system is indeed intimately related to valence states and local atomic displacements. Further development of microscopic mechanism of superconductivity in BiS{sub 2}/BiSe{sub 2}-based materials requires synergetic endeavors integrating new experimental, numerical, and theoretical techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Li-rich Li[Li1/6Fe1/6Ni1/6Mn1/2]O2 (LFNMO) Cathodes: Atomic Scale Insight on the Mechanisms of Cycling Decay and of the Improvement due to Cobalt Phosphate Surface Modification

Lithium-rich Li[Li1/6Fe1/6Ni1/6Mn1/2]O2(0.4Li2MnO3-0.6LiFe1/3Ni1/3Mn1/3O2, LFNMO) is a new member of the xLi2MnO3·(1-x)LiMO2 family of high capacity - high voltage LIB cathodes. Unfortunately, it suffers from the severe degradation during cycling both in terms of reversible capacity and operating voltage. We are the first to document the corresponding degradation occurring in LFNMO at an atomic scale using aberration- corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) , as well as tracing the elemental crossover to the Li metal anode using XPS. We also demonstrate that a phosphate coating significantly boosts LFNMO cycling stability and rate capability. Due to cycling, the unmodified LFNMO undergoes extensive elemental dissolution (especially Mn) and O loss, forming Kirkendall-type voids. The associated structural degradation is from the as-synthesized R-3m layered structure to a disordered rock-salt phase. Prior to cycling, the phosphate coating shares the crystallography of the parent material. During cycling, a 2-3 nm thick disordered Co-based rock-salt structure is formed on the Mod-LFNMO surface, while the bulk material retains R-3m crystallography. Electrochemical impedance spectroscopy (EIS) analysis highlights how the phosphide treatment stabilizes the charge transfer resistance (RCT), the CEI resistance (RCEI), and the lithium ion diffusion coefficient (DLi). XPS analysis demonstrates that the coating also reduces the amount of cross-over Mn, Fe and especially Ni deposited on the Li metal anode, which is expected to lead to a more stable SEI layer during cycling. These combined cathode - anode findings significantly advance the microstructural design principles for next generation Li-rich cathode materials and coatings.

: high voltage cathode, Li - and Mn - rich cathode↗
DOE OSTI2021

Realization of AlSb in the Double-Layer Honeycomb Structure: A Robust Class of Two-Dimensional Material

Exploring new two-dimensional (2D) van der Waals (vdW) systems is at the forefront of materials physics. Here, through molecular beam epitaxy on graphene-covered SiC(0001), we report successful growth of AlSb in the double-layer honeycomb (DLHC) structure, a 2D vdW material which has no direct analogue to its 3D bulk and is predicted kinetically stable when freestanding. The structural morphology and electronic structure of the experimental 2D AlSb are characterized with spectroscopic imaging scanning tunneling microscopy and cross-sectional imaging scanning transmission electron microscopy, which compare well to the proposed DLHC structure. The 2D AlSb exhibits a bandgap of 0.93 eV versus the predicted 1.06 eV, which is substantially smaller than the 1.6 eV of bulk. We also attempt the less-stable InSb DLHC structure; however, it grows into bulk islands instead. Here, the successful growth of a DLHC material here opens the door for the realization of a large family of novel 2D DLHC traditional semiconductors with unique excitonic, topological, and electronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Additive manufacturing of nanotube-loaded thermosets via direct ink writing and radio-frequency heating and curing

Direct Ink Writing (DIW) is an extrusion-based additive manufacturing method where the print medium is a liquid-phase ‘ink’ dispensed out of nozzles and deposited along digitally defined paths. Conventional DIW of thermosetting resins relies on viscosity modifying agents, novel crosslinking chemistries, and/or long curing schedules in an oven. Here we demonstrate the use of a co-planar radio frequency applicator to generate an electric field, which can be used to rapidly heat and cure nano-filled composite resins as they are printed. This method avoids the need for an oven or post- curing step. This process consists of a sequential print-and-cure cycle which allows for printing of high-resolution, multi-layered structures. Every extruded layer is partially cured using RF before depositing the next layer; this allows the printed part to maintain structural integrity. The process enables both increased throughput and decreased touch time relative to traditional manufacturing. Commercial epoxy resin with varied nano-filler loadings were examined as DIW candidates. After printing, the thermo-mechanical properties, surface finish, and shape retention of RF-cured samples were comparable to conventionally cured samples. Furthermore, this method of manufacturing establishes RF heating as a suitable alternative to conventional methods, facilitating rapid, free-form processing of thermosetting resins without a mold.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Neutron irradiation effects on the mechanical properties of powder metallurgical processed tungsten alloys

Neutron irradiation effects on the tensile properties of Pure W, K-doped W, W–3%Re, and K-doped W–3%Re were examined under the US-Japan collaboration project PHENIX. The fission neutron irradiation experiments were carried out up to 0.74 dpa at 600 °C and 800 °C. Pure W (SR) showed irradiation hardening and loss of ductility after irradiation at 600 °C and 800 °C. K-doped W–3%Re (SR) also exhibited irradiation hardening but was ductile after irradiation. Characteristic points of the K-doped W–3%Re (SR) are small grain size and layered structure. Finally, the stress-relief treatment and the layered structure may improve the ductility of powder-metallurgy W alloys after neutron irradiation, so a combination of K-doping and Re addition would be beneficial to improve irradiation resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Texture Analysis of Inconel 718 with Different Modes During Single-Track Laser Surface Re-Melting

An in-depth understanding of the texture formation in melt pools allows for the modification of the surface layer microstructure and corresponding material properties, providing an opportunity to integrate laser surface re-melting into metal additive manufacturing. This study investigates crystallographic texture formation at different cooling rates in single melting tracks on the Inconel 718 (IN718) plate produced by laser surface re-melting. The cooling rate varies from 2.31 × 10 5 °C/s to 9.56 × 10 5 °C/s with the increase in scanning rates from 400 mm/s to 1200 mm/s, measured by recently developed real-time temperature monitoring of melt pools. Columnar grains are dominant, with distinct crystallographic textures forming in the melt pools. At a slower scanning speed, the keyhole mode shows three different textures forming at different depths (crystallographically layered structure), while, at a faster scanning speed, the conduction mode shows only random grain orientation. There are no pores/voids detected, and the columnar grain morphology and columnar grain width (8.6 μm to 12.4 μm) follow the analysis framework in terms of thermal gradient and solidification rate analysis. This implies that laser surface re-melting provides the potential to modify the surface structure from a random grain orientation to a crystallographically layered structure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural Evolution of Layered Hybrid Lead Iodide Perovskites in Colloidal Dispersions

Controlling the structure of layered hybrid metal halide perovskites, such as the Ruddlesden-Popper (R-P) phases, is challenging because of their tendency to form mixtures of varying composition. Colloidal growth techniques, such as antisolvent precipitation, forms colloidal dispersions with properties that match bulk layered R-P phases, but controlling the composition of these particles remains challenging. Here, we explore the microstructure of particles of R-P phases of methylammonium lead iodide prepared by antisolvent precipitation from ternary mixtures of alkylammonium cations, where one cation can form perovskite phases (CH 3 NH 3 + ) and the other two promote layered structures as spacers (e.g. C 4 H 9 NH 3 + and C 12 H 25 NH 3 + ). We determine that alkylammonium spacers pack with constant methylene density in the R-P interlayer, and exclude interlayer solvent in dispersed colloids, regardless of length or branching. Using this result, we illustrate how the competition between cations that act as spacers between layers, or as grain- terminating ligands, determines the colloidal microstructure of layered R-P crystallites in solution. Optical measurements reveal that quantum well dimensions can be tuned by engineering the ternary cation composition. Transmission synchrotron wide-angle X-ray scattering and small angle neutron scattering reveal changes in the structure of colloids in solvent and after deposition into thin films. In particular, we find that spacers can alloy between R-P layers if they share common steric arrangements, but tend to segregate into polydisperse R-P phases if they do not mix. In conclusion, this study provides a framework to compare the microstructure of colloidal layered perovskites and suggests clear avenues to control phase and colloidal morphology.

14 SOLAR ENERGY↗
DOE OSTI2019

The Hot Bending and Diffusion Bonding of TiAl-Based Alloy for Corrugated-Core Sandwich Structure

The multi-layer structure of TiAl-based alloys can meet the demand of having lightweight and high-strength properties at elevated temperature. In this paper, the corrugated-core sandwich structure of a TiAl-based alloy was fabricated by the hot bending/diffusion bonding process. In order to fabricate this structure, the high-temperature tensile property, hot bending behavior, and vacuum diffusion bonding of a Ti-47.5Al-Cr-V alloy were investigated. The flow behavior was evaluated by uniaxial tensile experiment, and the results showed that the alloy exhibited good plasticity at the given conditions, and the maximum elongation reached 200% at 1000 °C at strain rate of 3 × 10{sup −4} s{sup −1}. The bending experiments were also performed at temperatures of 950, 1000, and 1050 °C with fillet radii of R = 0, 0.5, and 1 mm, respectively. No micro-/macro-defects developed. The vacuum diffusion bonding of this alloy was also carried out, and the shear bonding strength of bonding joints was measured at room temperature. The maximum shear strength was 398 MPa, and the joint was obtained at 1000 °C/30 MPa/3 h. Combining the bonding interface with the shear strength of different joints, the appropriate bonding pressure and bonding time for diffusion bonding of the TiAl alloy at 1000 °C were 20 MPa and 2 h, respectively. Then, the forming process of the corrugated-core sheet was conducted at 1000 °C with a fillet radius of 1 mm. Finally, the corrugated-core sandwich structure was manufactured under vacuum atmosphere, and the mechanical properties and the interface microstructure were investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Simulation of double buffer layer on CIGS solar cell with SCAPS software

In a CIGS thin film solar cell, the buffer layer is interposed between the absorber layer and the window layer, which plays an important role in interface electricity. CdS is often used as a buffer layer in CIGS cells. Beside the toxicity of Cd, the main drawback of CdS is its relatively narrow band gap (2.4 eV), which can lead to the current loss due to parasitic absorption. In order to reduce the use of CdS, we try other buffer layers instead of CdS and optimize buffer layer structure. Numerical simulation has been used to explore the effect of different buffer layer materials (CdS and ZnSe) on the performance of CuInGaSe{sub 2} solar cells with SCAPS-1D software. The main photovoltaic parameters of the analog device: open circuit voltage, short circuit current density, fill factor and conversion efficiency (η) were compared and analyzed. The results show that different buffer materials and thickness have great influence on the performance of the cell. In this simulation, CdS buffer layer was replaced by ZnSe material, which has a wider band gap. However, the efficiency of this kind of cell is lower than that of CIGS device with CdS buffer layer because of the bad energy band alignment. In order to improve the short-wave absorption and the efficiency of CIGS cell, we simulated a novel CdS/ZnSe double buffer layer structure. The efficiency of the optimized cell with double buffer layer increases from 18.47% (conventional cell with the same CdS buffer layer thickness) to 19.01%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2015

Strain Sensors, Methods of Making Same, and Applications of Same

In one aspect, the present invention relates to a layered structure usable in a strain sensor. In one embodiment, the layered structure has a substrate with a first surface and an opposite, second surface defining a body portion therebetween; and a film of carbon nanotubes deposited on the first surface of the substrate, wherein the film of carbon nanotubes is conductive and characterized with an electrical resistance. In one embodiment, the carbon nanotubes are aligned in a preferential direction. In one embodiment, the carbon nanotubes are formed in a yarn such that any mechanical stress increases their electrical response. In one embodiment, the carbon nanotubes are incorporated into a polymeric scaffold that is attached to the surface of the substrate. In one embodiment, the surfaces of the carbon nanotubes are functionalized such that its electrical conductivity is increased.

Biris, Alexandru S.↗
DOE OSTI2018

Four different dimensional Zn(II) coordination polymers as fluorescent sensor for detecting Hg{sup 2+}, Cr{sub 2}O{sub 7}{sup 2-} in aqueous solution

Highlights: • Four Zn-based coordination polymers were solvethermally synthesized. • Compound 1 and 2 could mutual conversion between different solvent ratios. • Both 1 and 2 exhibit high selectivity for Cr{sub 2}O{sub 7}{sup 2-} and Hg{sup 2+} ions in aqueous solution. • The mechanism of sensing properties were discussed in details. - Abstract: Four Zn(II) coordination polymers (CPs), [Zn(4-pzpt){sub 2}(H{sub 2}O)]{sub n} (1), {[Zn(4-pzpt)_2]·CH_3OH}{sub n} (2), [Zn{sub 2}(4-pzpt){sub 2}(suc)(H{sub 2}O)]{sub n} (3) and [Zn{sub 2}(4-pzpt){sub 2}(ndc)]{sub n} (4) were obtained from 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole (4-Hpzpt), 1,4-Naphthalenedicarboxylic acid (H{sub 2}ndc) and succinic acid (H{sub 2}suc) ligands. Structural analysis reveals that 1 represents a five coordinated 0D structure. 2 possess a network featuring 2D 4{sup 4} grid-like layers structure. 3 displays a network featuring 2D (6{sup 3})-hcb layered structure. 4 shows a rare 3D (4,4)-connected topology with a Schläfli symbol of (4.6{sup 4.}7){sub 2}(6{sup 4.}7{sup 2}). Complexes 1 and 2 can mutual conversion between different solvent ratios. Luminescence properties reveal that 1 and 2 exhibit excellent selectivity for Hg{sup 2+} and Cr{sub 2}O{sub 7}{sup 2-} ions in aqueous solution, in which suggests that 1 and 2 is a promising multifunctional sensing materials. The possible sensing mechanism is also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Efficient thermoelectric device

A high efficiency thermo electric device comprising a multi nanolayer structure of alternating insulator and insulator/metal material that is irradiated across the plane of the layer structure with ionizing radiation. The ionizing radiation produces nanocrystals in the layered structure that increase the electrical conductivity and decrease the thermal conductivity thereby increasing the thermoelectric figure of merit. Figures of merit as high as 2.5 have been achieved using layers of co-deposited gold and silicon dioxide interspersed with layers of silicon dioxide. The gold to silicon dioxide ratio was 0.04. 5 MeV silicon ions were used to irradiate the structure. Other metals and insulators may be substituted. Other ionizing radiation sources may be used. The structure tolerates a wide range of metal to insulator ratio.

Ila, Daryush↗
NASA NTRS1993

Plane mixing layer vortical structure kinematics

The objective of the current project was to experimentally investigate the structure and dynamics of the streamwise vorticity in a plane mixing layer. The first part of this research program was intended to clarify whether the observed decrease in mean streamwise vorticity in the far-field of mixing layers is due primarily to the 'smearing' caused by vortex meander or to diffusion. Two-point velocity correlation measurements have been used to show that there is little spanwise meander of the large-scale streamwise vortical structure. The correlation measurements also indicate a large degree of transverse meander of the streamwise vorticity which is not surprising since the streamwise vorticity exists in the inclined braid region between the spanwise vortex core regions. The streamwise convection of the braid region thereby introduces an apparent transverse meander into measurements using stationary probes. These results corroborated with estimated secondary velocity profiles in which the streamwise vorticity produces a signature which was tracked in time.

Leboeuf, Richard L.↗
DOE OSTI2020

Low-frequency Raman spectrum of 2D layered perovskites: Local atomistic motion or superlattice modes?

We report the low-frequency Raman spectrum (ω = 10 cm -1 –150 cm -1 ) of a wide variety of alkylammonium iodide based 2D lead halide perovskites (2D LHPs) as a function of A-site cation (MA = methylammonium and FA = formamidinium), octahedral layer thickness (n = 2–4), organic spacer chain length (butyl-, pentyl-, hexyl-), and sample temperature (T = 77 K–293 K). Using density functional theory calculations under the harmonic approximation for n = 2 BA:MAPbI, we assign several longitudinal/transverse optical phonon modes between 30 cm -1 and 100 cm -1 , the eigen displacements of which are analogous to that observed previously for octahedral twists/distortions in bulk MAPbI. Additionally, we propose an alternative assignment for low-frequency modes below this band (<30 cm -1 ) as zone-folded longitudinal acoustic phonons corresponding to the periodicity of the entire layered structure. Furthermore, we compare measured spectra to predictions of the Rytov elastic continuum model for zone-folded dispersion in layered structures. Our results are consistent across the various 2D LHPs studied herein, with energetic shifts of optical phonons corresponding to microscopic structural differences between materials and energetic shifts of acoustic phonons according to changes in the periodicity and elastic properties of the perovskite/organic subphases. This study highlights the importance of both the local atomic order and the superlattice structure on the vibrational properties of layered 2D materials.

2D materials↗
DOE OSTI2019

Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine

A proton-transfer reaction between squaric acid (H 2 sq) and 2,3-dimethylpyrazine (2,3-Me 2 pyz) results in crystallization of a new organic antiferroelectric (AFE), (2,3-Me 2 pyzH + )(Hsq – )·H 2 O ( 1 ), which possesses a layered structure. The structure of each layer can be described as partitioned into strips lined with methyl groups of the Me 2 pyzH + cations and strips featuring extensive hydrogen bonding between the Hsq – anions and water molecules. Variable-temperature dielectric measurements and crystal structures determined through a combination of single-crystal X-ray and neutron diffraction reveal an AFE ordering at 104 K. The phase transition is driven by ordering of protons within the hydrogen-bonded strips. Considering the extent of proton transfer, the paraelectric (PE) state can be formulated as (2,3-Me 2 pyzH + ) 2 (Hsq 2 3– )(H 5 O 2 + ), whereas the AFE phase can be described as (2,3-Me 2 pyzH + )(Hsq – )(H 2 O). The structural transition caused by the localization of protons results in the change in color from yellow in the PE state to colorless in the AFE state. The occurrence and mechanism of the AFE phase transition have been also confirmed by heat capacity measurements and variable-temperature infrared and Raman spectroscopy. This work demonstrates a potentially promising approach to the design of new electrically ordered materials by engineering molecule-based crystal structures in which hydrogen-bonding interactions are intentionally partitioned into quasi-one-dimensional regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Structure and Dynamics of Freely Suspended Liquid Crystals

Smectic liquid crystals are phases of rod shaped molecules organized into one dimensionally (1 D) periodic arrays of layers, each layer being between one and two molecular lengths thick. In the least ordered smectic phases, the smectics A and C, each layer is a two dimensional (2D) liquid. Additionally there are a variety of more ordered smectic phases having hexatic short range translational order or 2D crystalline or quasi long range translational order within the layers. The inherent fluid-layer structure and low vapor pressure of smectic liquid crystals enables the long term stabilization of freely suspended, single component, layered fluid films as thin as 30A, a single molecular layer. The layering forces the films to be an integral number of smectic layers thick, quantizing their thickness in layer units and forcing a film of a particular number of layers to be physically homogeneous with respect to its layer structure over its entire area. Optical reflectivity enables the precise determination of the number of layers. These ultrathin freely suspended liquid crystal films are structures of fundamental interest in condensed matter and fluid physics. They are the thinnest known stable fluid structures and have the largest surface-to-volume ratio of any stable fluid preparation, making them ideal for the study of the effects of reduced dimensionality on phase behavior and on fluctuation and interface phenomena. Their low vapor pressure and quantized thickness enable the effective use of microgravity to extend the study of basic capillary phenomena to ultrathin fluid films. Freely suspended films have been a wellspring of new LC physics. They have been used to provide unique experimental conditions for the study of condensed phase transitions in two dimensions. They are the only system in which the hexatic has been unambiguously identified as a phase of matter, and the only physical system in which fluctuations of a 2D XY system and Kosterlitz Thouless phase transition has been observed and 2D XY quasi long range order verified. Smectic films have enabled the precise determination of smectic layer electron density and positional fluctuation profiles and have been used to show that the interlayer interactions in antiferroelectric tilted smectics do not extend significantly beyond nearest neighbors. Freely suspended films played a pivotal role in the recent discovery of macroscopic chiral-polar ordering in fluids of achiral molecules. The interactions which are operative in liquid crystals are generally weak in comparison to those in crystalline phases, leading to the facile manipulation of the order in liquid crystals by external agents such as applied fields and surfaces. Effects arising from weak ordering are significantly enhanced in ultrathin free films and filaments, in which the intermolecular coupling is effectively further reduced by loss of neighbors. Over the past four years this research, which we now detail, has produced a host of exciting new discoveries and unexpected results, maintaining the study of freely suspended liquid crystal structures as one of most exciting and fruitful areas of complex fluid physics. In addition, a class of experiments on the behavior of 1D interfaces in 2D films have been pursued with results that point to potentially quite interesting effects in microgravity.

Clark, Noel A.↗
NASA NTRS1988

Three step double layers in the laboratory

A new class of stationary double layer structure, with three or more distinct steps, is demonstrated in the laboratory. A large monotonic potential increase results from a series of smaller double layers. In many respects, these double layer structures resemble those inferred from satellite measurements of auroral double layers. This new class of double layer appears to depend on turbulence for its existence and to be a hybrid structure, intermediate between anomalous resistivity and BGK double layers.

Bailey, Andrew, III↗