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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Thermal behaviour of NaBH{sub 4}-sodalites with alumosilicate framework: Influence of cage water content and the surrounding conditions

Research highlights: {yields} Thermal behaviour of NaBH{sub 4} enclathrated sodalites with alumosilicate framework. {yields} Influence of mixed cage fillings (H{sub 2}O, H{sub 3}O{sub 2}{sup -}, CO{sub 3}{sup 2-}) on thermal behaviour of BH{sub 4}{sup -}. {yields} Extend of intra cage reactions depend on templates and experimental surroundings. {yields} Formation of B(OH){sub 4}{sup -}/BH{sub 3}OH{sup -}, BO(OH){sub 2}{sup -} and finally BO{sub 2}{sup -} inside the cages. {yields} Formation of nepheline with boron in its structure after framework destruction. -- Abstract: Sodalites Na{sub 8}[AlSiO{sub 4}]{sub 6}(BH{sub 4}){sub 1.8}(H{sub 3}O{sub 2}){sub 0.2} and Na{sub 8}[AlSiO{sub 4}]{sub 6}(BH{sub 4})(H{sub 3}O{sub 2}){sub 0.5}(CO{sub 3}){sub 0.25}(H{sub 2}O) were examined to characterize the influence of the mixed cage fillings and the surroundings on the thermal behaviour of enclathrated BH{sub 4}{sup -} and the stability of the alumosilicate framework. The samples were investigated in a NaCl matrix during temperature dependent IR-measurements (TIR) and by thermal analysis in inert atmosphere (helium) and in synthetic air. The thermal products were further characterized by XRD and SEM/EDS. It could be shown that the extent of the BH{sub 4}{sup -} decomposition strongly depends on the cage-fillings of the individual sodalite phase and on the environmental experimental conditions. At low to medium temperatures hydrolysis of BH{sub 4}{sup -} by water molecules from decomposition of H{sub 3}O{sub 2}{sup -} and H{sub 2}O/CO{sub 3}{sup 2-} templates leads to B(OH){sub 4}{sup -}/BH{sub 3}OH{sup -} and via subsequent dehydration to BO(OH){sub 2}{sup -} and finally BO{sub 2}{sup -}. At elevated temperatures direct oxidation of BH{sub 4}{sup -} to BO{sub 2}{sup -} occurs inside the sodalite cages. Further heating results in sodalite framework destruction and finally formation of nepheline with some boron in its structure besides some unknown polymeric borates outside the alumosilicate phase. Framework stability of the sodalites was found to decrease in the direction {yields} heating in NaCl {yields} heating in He-atmosphere {yields} heating in air.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of crystallite geometries on electrochemical performance of porous intercalation electrodes by multiscale operando investigation

Lithium-ion batteries are yet to realize their full promise because of challenges in the design and construction of electrode architectures that allow for their entire interior volumes to be reversibly accessible for ion storage. Electrodes constructed from the same material and with the same specifications, which differ only in terms of dimensions and geometries of the constituent particles, can show surprising differences in polarization, stress accumulation and capacity fade. Here, using operando synchrotron X-ray diffraction and energy dispersive X-ray diffraction (EDXRD), we probe the mechanistic origins of the remarkable particle geometry-dependent modification of lithiation-induced phase transformations in V2O5 as a model phase-transforming cathode. A pronounced modulation of phase coexistence regimes is observed as a function of particle geometry. Specifically, a metastable phase is stabilized for nanometre-sized spherical V2O5 particles, to circumvent the formation of large misfit strains. Spatially resolved EDXRD measurements demonstrate that particle geometries strongly modify the tortuosity of the porous cathode architecture. Greater ion-transport limitations in electrode architectures comprising micrometre-sized platelets result in considerable lithiation heterogeneities across the thickness of the electrode. These insights establish particle geometry-dependent modification of metastable phase regimes and electrode tortuosity as key design principles for realizing the promise of intercalation cathodes. Designing electrode architectures for Li-ion batteries that can be reversibly accessible for ion storage can be challenging. Using operando techniques the mechanistic origin of lithiation-induced phase transformations in a V2O5 model cathode is now clarified.

Luo, Yuting↗
DOE OSTI2014

Urchin-like m-LaVO{sub 4} and m-LaVO{sub 4}/Ag microspheres: Synthesis and characterization

The semiconductor nanostructures decorated with noble metals have attracted increasing attention due to their interesting physical and chemical properties. In this work, urchin-like monoclinic (m-) LaVO{sub 4} microspheres were prepared by a hydrothermal method and used as a template to fabricate Ag nanoparticle-decorated m-LaVO{sub 4} composites. The morphology and structure were characterized by transmission electron microscope, high-resolution transmission electron microscope, scanning electron microscope, and energy-dispersive X-ray. It was found that Ag nanoparticles with narrow size distribution were uniformly loaded on urchin-like m-LaVO{sub 4} microspheres, and the resulted composite microspheres showed distinct surface plasmon absorption band compared to pure m-LaVO{sub 4} microspheres. Photocatalytic activities of as-prepared samples were examined by studying the degradation of methyl orange solutions under visible-light irradiation (> 400 nm). Results clearly showed that urchin-like m-LaVO{sub 4}/Ag microspheres possess much higher photocatalytic activity than pure m-LaVO{sub 4} microspheres and P25. - Highlights: • m-LaVO{sub 4}/Ag composites microspheres were fabricated by a hydrothermal method. • m-LaVO{sub 4} microspheres show higher photocatalytic activity than m-LaVO{sub 4} microspheres. • m-LaVO{sub 4}/Ag microspheres exhibit a good stability.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Ion assisted growth of B{sub 4}C diffusion barrier layers in Mo/Si multilayered structures

We investigated the thermal stability of e-beam deposited Mo/B{sub 4}C/Si/B{sub 4}C layered systems, with and without ion assistance during the growth of the B{sub 4}C diffusion barrier layers. The thermal stability was investigated by in situ thermal annealing during grazing incidence X-ray reflection. By studying partially treated B{sub 4}C barrier layers, we found that the improvement in thermal stability is caused by an enhanced density of the B{sub 4}C layer.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A nitrogen-hyperdoped silicon material formed by femtosecond laser irradiation

A supersaturation of nitrogen atoms is found in the surface layer of microstructured silicon after femtosecond (fs) laser irradiation in NF{sub 3}. The average nitrogen concentration in the uppermost 50 nm is about 0.5 ± 0.2 at. %, several orders of magnitude higher than the solid solubility of nitrogen atoms in silicon. The nitrogen-hyperdoped silicon shows high crystallinity in the doped layer, which is due to the repairing effect of nitrogen on defects in silicon lattices. Nitrogen atoms and vacancies can be combined into thermal stable complexes after fs laser irradiation, which makes the nitrogen-hyperdoped silicon exhibit good thermal stability of optical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Stability of aerosol droplets in Bessel beam optical traps under constant and pulsed external forces

We report on the dynamics of aerosol droplets in optical traps under the influence of additional constant and pulsed external forces. Experimental results are compared with simulations of the three-dimensional droplet dynamics for two types of optical traps, the counter-propagating Bessel beam (CPBB) trap and the quadruple Bessel beam (QBB) trap. Under the influence of a constant gas flow (constant external force), the QBB trap is found to be more stable compared with the CPBB trap. By contrast, under pulsed laser excitation with laser pulse durations of nanoseconds (pulsed external force), the type of trap is of minor importance for the droplet stability. It typically needs pulsed laser forces that are several orders of magnitude higher than the optical forces to induce escape of the droplet from the trap. If the droplet strongly absorbs the pulsed laser light, these escape forces can be strongly reduced. The lower stability of absorbing droplets is a result of secondary thermal processes that cause droplet escape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Atomistic modeling and HAADF investigations of misfit and threading dislocations in GaSb/GaAs hetero-structures for applications in high electron mobility transistors

A detailed investigation on the misfit and threading dislocations at GaSb/GaAs interface has been carried out using molecular dynamics simulation and quantitative electron microscopy techniques. The sources and propagation of misfit dislocations have been elucidated. The nature and formation mechanisms of the misfit dislocations as well as the role of Sb on the stability of the Lomer configuration have been explained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Growth and characterization of nonlinear optical single crystal: Nicotinic L-tartaric

Nonlinear optical single crystals were grown from Nicotinic and L-Tartaric acid by slow evaporation technique at room temperature. Structure of the grown crystal was confirmed by single crystal X-ray diffraction studies, The crystallinity of the Nicotinic L-Tartaric (NLT) crystals was confirmed from the powder XRD pattern. The transparent range and cut off wavelength of the grown crystal was studied by the UV–Vis spectroscopic analysis.The thermal stability of the crystal was studied by TG-DTA. The second harmonic generation (SHG) efficiency of NLT was confirmed by Kurtz Perry technique.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Fe{sub 3}O{sub 4}/CuO/ZnO/Nano graphene platelets (Fe{sub 3}O{sub 4}/CuO/ZnO/NGP) composites prepared by sol-gel method with enhanced sonocatalytic activity for the removal of dye

In this study, an attempt has been made to synthesize nanographene platelets coupled with Fe3O4/CuO/ZnO (Fe3O4/CuO/ZnO/NGP) with various ZnO loadings using a two step methods, sol-gel followed by hydrothermal method. Characterization was carried out by X-ray diffraction, energy-dispersive X-ray spectroscopy and vibrating sample magnetometer. The sonocatalytic performance was evaluated by degradation of methylene blue under ultrasonic irradiation.The Fe3O4/CuO/ZnO/NGP showed superior sonocatalytic activity than the Fe3O4/CuO/ZnO materials. They also showed high stability and can be easily separated from the reaction system for recycling process.

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

Influence of sodium borate on the early age hydration of calcium sulfoaluminate cement

Calcium sulfoaluminate (CSA) cements are potential candidates for the conditioning of radioactive wastes with high sodium borate concentrations. This work thus investigates early age hydration of two CSA cements with different gypsum contents (0 to 20%) as a function of the mixing solution composition (borate and NaOH concentrations). Gypsum plays a key role in controlling the reactivity of cement. When the mixing solution is pure water, increasing the gypsum concentration accelerates cement hydration. However, the reverse is observed when the mixing solution contains sodium borate. Until gypsum exhaustion, the pore solution pH remains constant at ~ 10.8, and a poorly crystallized borate compound (ulexite) precipitates. A correlation is established between this transient precipitation and the hydration delay. Decreasing the gypsum content in the binder, or increasing the sodium content in the mixing solution, are two ways of reducing the stability of ulexite, thus decreasing the hydration delay.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Cd(II) complexes with different nuclearity and dimensionality based on 3-hydrazino-4-amino-1,2,4-triazole

A series of zero- to two-dimensional Cd(II) coordination compounds have been synthesized by the reaction of Cd(II) salts and 3-hydrazino-4-amino-1,2,4-triazole di-hydrochloride (HATr·2HCl). [CdCl{sub 2}(HATr){sub 2}] (1) and [Cd{sub 2}Cl{sub 4}(HATr){sub 2}(H{sub 2}O){sub 2}] (2) have discrete mononuclear and binuclear structures, respectively. [Cd(HATr){sub 2}(ClO{sub 4}){sub 2}]{sub n} (3) presents polymeric 1-D chain and [Cd{sub 2}(NO{sub 3}){sub 2}Cl{sub 2}(HATr){sub 2}]{sub n} (4) shows 2-D frameworks. All Cd(II) ions exhibit distorted octahedral configurations in 1–3, whilst both hexa and heptacoordinated Cd(II) are formed in 4. The HATr ligands adopt chelating coordinated mode in 1, while tri-dentate bridging–chelating mode in 2–4. The chloride ion is a mono-coordinated ligand in 1 and 2, but it bridges two adjacent metal ions in 4. Furthermore, thermal behaviors have been investigated and the results reveal that all complexes have good thermal stability. The impact sensitivity test indicates that complex 3 is sensitive to impact stimuli. - Graphical abstract: Four Cd(II) complexes based on 3-hydrazino-4-amino-1,2,4-triazole ligands exhibit diverse structures from mononuclear to 2D networks. - Highlights: • Cd(II) complexes containing 3-hydrazino-4-amino-1,2,4-triazole ligands. • Mononuclear, binuclear, 1-D and 2-D structures. • Good thermal stability. • Thermal decomposition kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Synthesis of Sb{sub 2}S{sub 3} nanowall arrays for high performance visible light photodetectors

Highlights: • Sb{sub 2}S{sub 3} nanowall arrays have been synthesized via a facile polyol refluxing process. • We fabricated Sb{sub 2}S{sub 3} rigid and flexible photodetectors successfully. • The photoelectric properties were studied upon visible light irradiation. • The rigid photodetector exhibit excellent photoconductive performance. - Abstract: By using a facile polyol and template-free refluxing process, we report the successful synthesis of Sb{sub 2}S{sub 3} nanowall arrays (NWAs) on the surface of FTO substrate. The as-synthesized samples were characterized by SEM, TEM, XRD and UV–vis DRS. The NWAs-based photodetector exhibits linear photocurrent characteristics, high stability, excellent reproducible properties, low LDR (linear dynamic range) value of 8.6 dB, fast response time of 0.52 s and recovery time of 1.11 s. The flexible photodetector was also fabricated by simply transferring the NWAs to a transparent PET substrate; it revealed good flexibility and stability. Our results imply that Sb{sub 2}S{sub 3} NWAs are prospective candidates for high-performance nanoscale optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Optical properties of InGaAs/InGaAlAs quantum wells for the 1520–1580 nm spectral range

The optical properties of elastically strained semiconductor heterostructures with InGaAs/InGaAlAs quantum wells (QWs), intended for use in the formation of the active region of lasers emitting in the spectral range 1520–1580 nm, are studied. Active regions with varied lattice mismatch between the InGaAs QWs and the InP substrate are fabricated by molecular beam epitaxy. The maximum lattice mismatch for the InGaAs QWs is +2%. The optical properties of the elastically strained InGaAlAs/InGaAs/InP heterostructures are studied by the photoluminescence method in the temperature range from 20 to 140°C at various power densities of the excitation laser. Investigation of the optical properties of InGaAlAs/InGaAs/InP experimental samples confirms the feasibility of using the developed elastically strained heterostructures for the fabrication of active regions for laser diodes with high temperature stability.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A phase-field method for boiling heat transfer

Here we present a phase field method for heat transfer in two-phase flow with boiling. The vapor/liquid interface evolution is modeled by the Cahn-Hilliard equation. The phase change rate is determined by accounting for the heat conduction balance on either vapor or liquid side of the interfacial area, depending on which side the temperature is assumed to be maintained at the saturation temperature during boiling. The velocity correction scheme proposed by Dong & Shen [27] is extended to solve the Navier-Stokes equations for a non-solenoidal velocity field, and the entropy viscosity method is employed for stabilization. The phase change model is verified by two-dimensional simulations of a vapor bubble growing in super-heated liquid and in film boiling. In both cases, mesh independence of the results is systematically performed. Subsequently, the method is applied to predict the growth of three-dimensional vapor bubble in a rectangular microchannel with boiling flow, achieving good agreement with experimental measurements and available simulation results using the level-set method. The numerical experiments demonstrate that the required mesh resolution for the phase field method is comparable with that of volume of fluid (VoF) and level-set methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electrochromic device based on electrospun WO{sub 3} nanofibers

Highlights: • WO{sub 3} electrochromic nanofibers were prepared by electrospinning technique. • WO{sub 3} nanofibers switched reversibly from transparent to blue color. • Electrochromic device was assembled using ionic liquid based gel electrolyte. • Significant optical modulation and excellent cycling stability were achieved for ECD. - Abstract: The tungsten oxide (WO{sub 3}) nanofibers were grown directly onto an ITO-coated glass via an electrospinning method for electrochromic applications. The electrochromic properties of WO{sub 3} nanofibers were investigated in the presence of different electrolytes including a series of ionic liquids and classic LiClO{sub 4}-PC system. A significant optical modulation of 20.82% at 760 nm, reversible coloration with efficiency of 64.58 cm{sup 2}/C and excellent cycling stability were achieved for the nanofiber electrochromic device (ECD) with ionic liquid based gel electrolyte.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Misalignment-free signal propagation in nanomagnet arrays and logic gates with 45°-clocking field

A key obstacle for the application of Magnetic Quantum-dot Cellular Automata (MQCA) is the misalignment of clocking field, which results in low stability for both signal propagations within nanomagnet array and logic operation in majority gates. Here, we demonstrate that a reversal clocking field applied at 45° off the hard axis, with progressively reduced amplitude, applied to a shape-tuned nanomagnet array fabricated by e-beam lithography, helps intrinsically eliminate the misalignment sensitivity of the elements and results in correct signal propagation. Further, least reversal steps and reduced field amplitude was required owing to the 45°-clocking field. This clocking field was also tested for majority gates (OR function) and characterized by Magnetic Force Microscopy demonstrating correct output. This novel design provides high stability for signal propagation and logic operation of MQCA and potentially paves way for its application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A twist grain boundary phase in aqueous solutions of the nucleic acid tetramer GTAC

At high concentration, long Watson/Crick (WC) double-helixed DNA forms columnar crystal or liquid crystal phases of linear, parallel duplex chains packed on periodic lattices. This can also be a structural motif of short NA oligomers such as the 5’-GTAC-3’ studied here, which makes four-base WC duplexes having hydrophobic blunt ends. End-to-end aggregation then assembles these duplexes into columns and columnar phases are stabilized, in spite of breaks in the double helix every four bases. But the new degrees of freedom introduced by such breaks also enable opportunities for a more diverse palette of self-assembly modes, producing striking self-assemblies of DNA that would not be achievable with contiguous polymers. These include recently reported three-dimensional (3D) periodic low-density nanoscale networks of GCCG, and the twist grain boundary (TGB) phase presented here. In the TGB, columns of GTAC pairs assemble into monolayer sheets in which the duplex columns are mutually parallel. However, unlike in the columnar crystals, these sheets stack in helical fashion into lamellar arrays in which the column axis of each layer is rotated through a 60° angle with respect to the columns in neighboring layers. This assembly of DNA is unique in that it the fills a 3D volume wherein the major grooves of columns in each layer mutually enter and interlock with the major grooves of columns in neighboring layers. This locking is optimized by small adjustments in structure enabled by the breaks in the duplex backbones.

DNA↗
DOE OSTI2018

Hedgehog spin-vortex crystal stabilized in a hole-doped iron-based superconductor

Magnetism is widely considered to be a key ingredient of unconventional superconductivity. In contrast to cuprate high-temperature superconductors, antiferromagnetism in most Fe-based superconductors (FeSCs) is characterized by a pair of magnetic propagation vectors, (π,0) and (0,π). Consequently, three different types of magnetic order are possible. Of these, only stripe-type spin-density wave (SSDW) and spin-charge-density wave (SCDW) orders have been observed. A realization of the proposed spin-vortex crystal (SVC) order is noticeably absent. We report a magnetic phase consistent with the hedgehog variation of SVC order in Ni-doped and Co-doped CaKFe 4 As 4 based on thermodynamic, transport, structural and local magnetic probes combined with symmetry analysis. The exotic SVC phase is stabilized by the reduced symmetry of the CaKFe 4 As 4 structure. Thus, our results suggest that the possible magnetic ground states in FeSCs have very similar energies, providing an enlarged configuration space for magnetic fluctuations to promote high-temperature superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗