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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Enhanced Photocatalytic Degradation of Methylene Blue Dye, Opto-magnetic and Antibacterial Behaviour of Pure and La-doped ZnO Nanoparticles

The different doping concentrations of lanthanum (La)-doped ZnO nanoparticles were synthesized successfully using zinc acetate and lanthanum nitrate via wet chemical method. Characterization of the prepared sample was done by standard analytical techniques such as powder x-ray diffraction analysis (P-XRD), high-resolution scanning electron microscopy (HR-SEM), energy-dispersive spectroscopy (EDS), Fourier transformer-infrared (FT-IR) spectroscopy, photoluminescence (PL) and UV-Vis spectroscopy (UV-Vis), and magnetic studies (VSM). The structural analysis has been carried out by powder x-ray diffraction. X-ray diffraction studies revealed that the nanoparticles are well-crystalline and possess hexagonal wurtzite structure. HR-SEM images showed the homogenous spherical-shaped morphology of the synthesized ZnO nanoparticles. EDS analysis confirmed the presence of La ions into ZnO lattice. The band gap (Eg) energy was determined by UV-Visible spectral data, and it was found that the Eg value decreases with increasing the La concentration into ZnO lattice. PL spectra confirmed that the effective La doping enhance the UV and visible region near band gap emission. The effect of La doping on the photocatalytic activity of ZnO nanoparticles for the degradation of methylene blue dye was studied under solar illumination and the results showed that the La doping kindles appreciable degradation of MB. The optical density measurements of the ZnO nanoparticles against both gram-positive (Bacillus subtilis, Staphylococcus aureus) as well as gram-negative bacteria (Proteus mirabilis, Salmonella typhi) showed better bacterial activity than pure ZnO. Moreover, it showed that higher dopant La in ZnO exhibit efficient antibacterial activity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Wettability, structural and optical properties investigation of TiO{sub 2} nanotubular arrays

Graphical abstract: FESEM images of the TiO 2 nanotube layers formed at 0.5 wt% NH4F/ glycerol. - Highlights: • Structural property investigation of TiO{sub 2} nanotube. • Evaluation of wettability of TiO{sub 2} nanotube. • Study on optical properties of TiO{sub 2} nanotube. • The effect of anatase phase on optical and wettability properties of TiO{sub 2.} - Abstract: In this study, the effect of microstructural evolution of TiO{sub 2} nanotubular arrays on wettability and optical properties was investigated. Pure titanium was deposited on silica glass by PVD magnetron sputtering technique. The Ti coated substrates were anodized in an electrolyte containing NH{sub 4}F/glycerol. The structures of the ordered anodic TiO{sub 2} nanotubes (ATNs) as long as 175 nm were studied using field emission scanning electron microscopy (FESEM) and X-ray diffraction (XRD). The result shows a sharp peak in the optical absorbance spectra around the band gap energy, 3.49–3.42 eV for annealed and non-annealed respectively. The thermal process induced growth of the grain size, which influence on the density of particles and the index of refraction. Furthermore, the wettability tests' result displays that the contact angle of intact substrate (θ = 74.7°) was decreased to 31.4° and 17.4° after anodization for amorphous and heat treated (450 °C) ANTs coated substrate, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Chemical bath deposition of Cu{sub 3}BiS{sub 3} thin films

First time, copper bismuth sulfide (Cu{sub 3}BiS{sub 3}) thin films were synthesized on the glass substrate using simple, low-cost chemical bath deposition (CBD) technique. The synthesized parameters such as temperature of bath, pH and concentration of precursors were optimized for the deposition of uniform, well adherent Cu{sub 3}BiS{sub 3} thin films. The optical, surface morphology and structural properties of the Cu{sub 3}BiS{sub 3} thin films were studied using UV-VIS-NIR spectra, scanning electron microscopy (SEM) and X-ray diffraction (XRD). The as- synthesized Cu{sub 3}BiS{sub 3} film exhibits a direct band gap 1.56 to 1.58 eV having absorption coefficient of the order of 10{sup 5} cm{sup −1}. The XRD declares the amorphous nature of the films. SEM images shows films were composed of close-packed fine spherical nanoparticles of 70-80 nm in diameter. The chemical composition of the film was almost stoichiometric. The optical study indicates that the Cu{sub 3}BiS{sub 3} films can be applied as an absorber layer for thin film solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Hydration products in sulfoaluminate cements: Evaluation of amorphous phases by XRD/solid-state NMR

The hydration of four sulfoaluminate cements have been studied: three sulfoaluminate systems, having different content of sulfate and silicate, and one blend Portland-CSA-calcium sulfate binder. Hydration was followed up to 90 days by means of a combination of X-ray diffraction and solid state MAS-NMR; Differential scanning calorimetry and Scanning electron microscopy were also performed in order to help the interpretation of experimental data. High amount of amorphous phases were found in all the four systems: in low-sulfate cements, amorphous part is mainly ascribed to monosulfate and aluminium hydroxide, while strätlingite is observed if belite is present in the cement; in the blend system, C-S-H contributes to the amorphous phase beyond monosulfate.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis, characterisation, electrical and optical properties of copper borate compounds

Highlights: • Cu(BO{sub 2}){sub 2} was synthesized at the form of with pdf number of “00-001-0472”. • Particle sizes were found between 162.72 and 56.44 nm and 195.76 and 75.73 nm at CuSNaH. • Reaction yields were 90.4 ± 0.84, 96.9 ± 0.78 and 78.9 ± 0.76% for CuST, CuSB and CuSNaH. • The resistivity of CuST, CuSB and CuSNaH are 1.10 × 10{sup 7}, 7.02 × 10{sup 6} and 8.62 × 10{sup 5} Ωm. • The optical energy gap was 3.76 eV. - Abstract: The hydrothermal synthesis of copper borate compounds [Cu(BO{sub 2}){sub 2}] was studied, and several parameters were found to affect the synthesis. Raw materials, including CuSO{sub 4}·5H{sub 2}O, Na{sub 2}B{sub 4}O{sub 7}·5H{sub 2}O, Na{sub 2}B{sub 4}O{sub 7}·10H{sub 2}O, NaOH and H{sub 3}BO{sub 3}, were used. Reaction temperatures and reaction times between 40 °C and 100 °C and 15 and 240 min, respectively, were used. The as-synthesised copper borate was analysed using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). The yields of the reactions were also calculated. Single-phase, nanoparticulate copper borate compounds (Cu(BO{sub 2}){sub 2}) possessing high XRD crystal scores were obtained; the reactions used to obtain these materials were highly efficient. Electrical resistivity and optical absorbance measurements were carried out on the compounds obtained from the highest yielding reactions. The results of this study showed that even using a reaction time of 15 min, copper borate formation was successfully achieved.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Photocatalytic activity of 3D flower-like MoS2 hemispheres

Highlights: • The ultrathin MoS{sub 2} nano-sheet assembled 3D flower-like MoS{sub 2} hemispheres were prepared via hydrothermal method. • The bandgap of as-synthesized MoS{sub 2} is about 2.05 eV, resulting in a broad absorption in the visible range. • The photocatalyst of MoS{sub 2} present the optimal catalytic property under mild acidity. - Abstract: The novel 3D flower-like MoS{sub 2} hemispheres assembled by ultrathin MoS{sub 2} nano-sheet petals have been successfully prepared via a facile hydrothermal method using CTAB as surfactant. The crystal structure and morphology of the as-synthesized MoS{sub 2} samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectra (FTIR), Raman spectra and scanning electron microscopy (SEM). Moreover the microstructure and the optical properties of MoS{sub 2} samples were also measured by transmission electron microscopy (TEM) and the UV–vis diffuse reflectance spectra (DRS). The photocatalytic performance of the flower-like MoS{sub 2} hemispheres were evaluated through the degradation of Rhodamine (RhB) and methylene blue (MB) solutions, and the stabilities of photo-catalysts were also studied through the three cycles of experiments. The effects on photo-catalytic performance from the initial pH values (3–9) of RhB and MB solutions were also investigated, indicating the samples present the optimal catalytic property at pH = 5.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Molecular beam epitaxy and crystal structure of majority a -plane-oriented and substrate-strained Mn 3 Sn thin films grown directly on sapphire (0001)

The Kagome antiferromagnet Mn 3 Sn has garnered much attention due to the presence of exciting properties such as anomalous Hall and Nernst effects. This paper discusses the synthesis of crystalline Mn 3 Sn thin films, prepared on Al 2 O 3 (0001) substrates at 453 ± 5°C using molecular beam epitaxy. The growth is monitored in situ using reflection high energy electron diffraction and measured ex situ using x-ray diffraction, Rutherford back-scattering, and cross-sectional scanning transmission electron microscopy. Our analysis shows the in-plane lattice constants of a 1,M = 4.117 ± 0.027 Å and a 2,M = 4.943 ± 0.033 Å, which is a very unexpected result when compared to the bulk a-plane Mn 3 Sn. This indicates a strain in the film and makes it challenging to provide a straightforward explanation. In an effort to explain our results, we discuss two possible orientation relationships between the Mn 3 Sn films and the sapphire substrates. Samples prepared under these conditions appear to have smooth surfaces locally, but overall the film has a 3D island morphology. First-principles calculations provide atomic models of the Mn 3 Sn (112¯0) lattice on Al 2 O 3 (0001) high symmetry sites, indicating that the L3-R90° is the most stable configuration. A detailed discussion of the experimental data and theoretical results, as well as strain effects, is provided.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Size-dependent attraction of Cu solutes to clusters formed at Ag grain boundaries

We report a size-dependent solute clustering mechanism at grain boundaries in a sputtered ultrafine-grained Ag-Cu alloy, where large Cu clusters form despite weak individual solute-solute interactions. X-ray diffraction confirms limited Cu solubility in the Ag matrix, while scanning transmission electron microscopy reveals Cu clustering at both ordinary GBs and GB junctions. Density functional theory calculations show that 12-atom Cu clusters are energetically preferred, while smaller three-atom clusters are significantly less stable. Additional calculations demonstrate a marked increase in solute-cluster attraction energy with cluster size. As a result, these findings point to a previously unrecognized pathway for grain-boundary solute clustering in immiscible systems, driven by collective solute-cluster interactions, with implications for segregation behavior and stability in nanocrystalline and ultrafine-grained alloys.

Alloys↗
DOE OSTI2016

Time-dependent of characteristics of Cu/CuS/n-GaAs/In structure produced by SILAR method

Highlights: • The CuS thin film used at Cu/n-GaAs structure is grown by SILAR method. • There has been no report on ageing of characteristics of this junction in the literature. • The properties of Cu/CuS/n-GaAs/In structure are examined with different methods. • It has been shown that Cu/CuS/n-GaAs/In structure has a stable interface. - Abstract: The aim of this study is to explain effects of the ageing on the electrical properties of Cu/n-GaAs Shottky barrier diode with Copper Sulphide (CuS) interfacial layer. CuS thin films are deposited on n-type GaAs substrate by Successive Ionic Layer Adsorption and Reaction (SILAR) method at room temperature. The structural and the morphological properties of the films have been carried out by Scanning Electron Microscopy (SEM) and X-Ray Diffraction (XRD) techniques. The XRD analysis of as-grown films showed the single-phase covellite, with hexagonal crystal structure built around two preferred orientations corresponding to (102) and (108) atomic planes. The ageing effects on the electrical properties of Cu/CuS/n-GaAs/In structure have been investigated. The current–voltage (I–V) measurements at room temperature have been carried out to study the change in electrical characteristics of the devices as a function of ageing time. The main electrical parameters, such as ideality factor (n), barrier height (Φ{sub b}), series resistance (R{sub s}), leakage current (I{sub 0}), and interface states (N{sub ss}) for this structure have been calculated. The results show that the main electrical parameters of device remained virtually unchanged.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanical Properties and Microstructural Evolution of Yb-Modified Al-20%Si Alloy

In the study, the mechanical properties and microstructural evolution of hypereutectic Al-20%Si-xYb alloys (x = 0, 0.1, 0.3, 0.5 and 0.7 wt.%) were studied. The as-prepared samples were characterized by scanning electron microscopy, optical microscope, x-ray diffraction (XRD) and electron probe microanalysis. The characterization results showed with the addition amount of Yb increasing to 0.5%, the eutectic Si structure was gradually modified from coarse needle-like/platelet-like structure into fine coral-like fibrous structure and the primary Si phases were gradually converted from coarse platelet-like/star-like/polygonal shape into fine blocky shape. In particular, according to the results of WDS and XRD analyses, the Yb-rich intermetallic phase in the Al-20%Si alloy is Al{sub 3}Yb. Tensile test was carried out to study the mechanical properties of Al-20%Si-x%Yb alloys, and results showed that the elongation and ultimate tensile strength increased by 73.6% and 64.5%, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Electronic conductivity studies on oxyhalide glasses containing TMO

Microwave-assisted synthesis is cleaner, more economical and much faster than conventional methods. The development of new routes for the synthesis of solid materials is an integral part of material science and technology. The electronic conductivity studies on xPbCl{sub 2} – 60 PbO – (40-x) V{sub 2}O{sub 5} (1 ≥ x ≤ 10) glass system has been carried out over a wide range of composition and temperature (300 K to 423 K). X-ray diffraction study confirms the amorphous nature of the samples. The Scanning electron microscopic studies reveal the formation of cluster like morphology in PbCl{sub 2} containing glasses. The d.c conductivity exhibits Arrhenius behaviour and increases with V{sub 2}O{sub 5} concentration. Analysis of the results is interpreted in view Austin-Mott’s small polaron model of electron transport. Activation energies calculated using regression analysis exhibit composition dependent trend and the variation is explained in view of the structure of lead-vanadate glass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The structure-directed effect of Al-based metal–organic frameworks on fabrication of alumina by thermal treatment

Highlights: • We use Al-MOFs as precursor in the fabrication process of mesoporous alumina by thermal treatment. • The obtained mesoporous alumina has dual pore system and five-fold aluminum. • The aluminum building units in the precursor show structure-directed effect on the formation of alumina. - Abstract: In this work, the block-shaped Al-based metal–organic frameworks (Al-MOFs) MIL-53 have been synthesized by hydrothermal method. To detect the correlation between the structure of Al-MOFs and the formation of alumina, the ligands are eliminated by thermal treatment. MIL-53 and the calcination products were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscope (SEM), transmission electron microscopy (TEM), nitrogen adsorption–desorption and solid-state {sup 27}Al nuclear magnetic resonance ({sup 27}Al NMR). It was found that after calcination, the block-shaped Al-MOFs precursor turns into high-crystallinity mesoporous alumina nanosheets, and the thermal treatment product γ-alumina possesses a dual pore system and a large surface area (146 m{sup 2}/g), with five-fold aluminum. During the thermal treatment process, the structure of MIL-53 and its secondary building units have structure-directed effect in the formation of alumina.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Zn{sub 1−x}Co{sub x}WO{sub 4} (0 ≤ x ≤ 1) full range solid solution: Structure, optical properties, and magnetism

Graphical abstract: The continuous modulation on crystal structure and band gap is achieved in the Zn{sub 1−x}Co{sub x}WO{sub 4} (0 ≤ x ≤ 1) full range solid solution. - Highlights: • Zn{sub 1−x}Co{sub x}WO{sub 4} (0 ≤ x ≤ 1) solid solution was synthesized by a hydrothermal method. • They all present a single-phase in the wolframite structure with space group P2/c. • The continuous tenability in band gap was achieved in Zn{sub 1−x}Co{sub x}WO{sub 4} (0 ≤ x ≤ 1). • CoWO{sub 4} and Zn{sub 0.5}Co{sub 0.5}WO{sub 4} are antiferromagnetic and paramagnetic, respectively. - Abstract: A novel full-range solid-solution Zn{sub 1−x}Co{sub x}WO{sub 4} (0 ≤ x ≤ 1) was successfully developed via a facile one-pot hydrothermal route. The phase structure and microstructure were characterized by X-ray diffraction (XRD), Fourier-transform infrared (FTIR) spectra and scanning electron microscopy (SEM). The Zn{sub 1−x}Co{sub x}WO{sub 4} solid solution possesses similar wolframite crystal structure with the same space group P2/c. Diffuse reflection spectroscopy (DRS) measurements on Zn{sub 1−x}Co{sub x}WO{sub 4} (0 ≤ x ≤ 1) demonstrated that the optical band gap can be continuously tuned from 3.56 eV to 2.61 eV for direct transition and 1.87 eV for indirect transition, respectively, with increasing x from 0 to 1. Magnetic susceptibility measurements reveal that CoWO{sub 4} has an antiferromagnetic transition at T{sub N} = 42 K, whereas Zn{sub 0.5}Co{sub 0.5}WO{sub 4} exhibits paramagnetic behavior. Moreover, CoWO{sub 4} and Zn{sub 0.5}Co{sub 0.5}WO{sub 4} obey the Curie–Weiss law from 200 k down to 50 K, and their effective magnetic moments were determined.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Combined curing as a novel approach to improve resistance of ultra-high performance concrete to explosive spalling under high temperature and its mechanical properties

Highlights: • The combined curing can significantly enhance the resistance of UHPC to explosive spalling under high temperature. • The combined curing can improve the mechanical properties of UHPC remarkably. • Both further hydration of residual cement and pozzolanic reaction are activated under a high temperature steam condition. - Abstract: The influence of a combined curing composed of precuring in hot water and heating in dry air on mechanical properties and explosive spalling of ultra-high performance concrete (UHPC) subjected to high temperature was investigated in this experiment. Meanwhile, the microstructure of UHPC was determined by means of X-ray diffraction (XRD) with Rietveld method, thermogravimetric analysis (TGA), scanning electron microscope (SEM) and mercury intrusion porosimetry (MIP). The results indicate that the combined curing improves the mechanical properties of UHPC remarkably. More importantly, it is quite efficient to enhance the resistance of UHPC to explosive spalling under high temperature, which should be a novel approach to prohibit spalling occurrence, different from adding polypropylene fiber. During dry air heating in the combined curing, a high temperature steam environment is established in the dense structure framework of UHPC formed in the preceding hot water curing. Both further hydration of residual cement and pozzolanic reaction of mineral admixtures can be activated during the dry air heating, leading to not only the formation of a large amount of dense hydrates (such as C-S-H gels, katoite, tobermorite and xonotlite, etc.), which accumulate in the aforementioned existing framework, but also the consumption of most of internal free water. Therefore, both mechanical properties of UHPC and its resistance to explosive spalling under high temperature can be enhanced significantly.

36 MATERIALS SCIENCE↗
NASA NTRS2017

The Evolution of the Deformation Substructure in a Ni-Co-Cr Equiatomic Solid Solution Alloy

The equiatomic NiCoCr alloy exhibits an excellent combination of strength and ductility, even greater than the FeNiCrCoMn high entropy alloy, and also displays a simultaneous increase in strength and ductility with decreasing the testing temperature. To systemically investigate the origin of the exceptional properties of NiCoCr alloy, which are related to the evolution of the deformation substructure with strain, interrupted tensile testing was conducted on the equiatomic NiCoCr single-phase solid solution alloy at both cryogenic and room temperatures at five different plastic strain levels of 1.5%, 6.5%, 29%, 50% and 70%. The evolution of deformation substructure was examined using electron backscatter diffraction (EBSD), transmission Kikuchi diffraction (TKD), conventional transmission electron microscopy (CTEM), diffraction contrast imaging using STEM (DCI-STEM) and atomic resolution scanning transmission electron microscopy. While the deformation substructure mainly consisted of planar dislocation slip and the dissociation of dislocations into stacking faults at small strain levels (≤6.5%), at larger strain levels, additional substructures including nanotwins and a new phase with hexagonal close packed (HCP) lamellae also appeared. The volume fraction of the HCP lamellae increases with increasing deformation, especially at cryogenic temperature. First principles calculations at 0 K indicate that the HCP phase is indeed energetically favorable relative to FCC for this composition. The effects of the nanotwin and HCP lamellar structures on hardening rate and ductility at both cryogenic and room temperature are qualitatively discussed.

Twinning↗
DOE OSTI2016

Novel nanorods based on PANI / PEO polymers using electrospinning method

In this work, we fabricated nanorods by applying an electric potential on poly (ethylene oxide) (PEO) and polyaniline (PANI) as a polymeric solution by electrospinning method. Testing was conducted on the samples by field emission scanning Electron microscope (FE-SEM), X-ray diffraction (XRD) and Photoluminescence. And the results showed the emergence of nanorods in the sample within glass substrate. Diameters of nanorods have ranged between (52.78-122.40)nm And a length of between (1.15 – 1.32)μm. The emergence of so the results are for the first time, never before was the fabrication of nanorods for polymers using the same method used in this research.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Neutron irradiation effects on the corrosion of Zircaloy-4 in a pressurized water reactor environment - 2016-0085

Long-time Advanced Test Reactor (ATR) corrosion weight-gain data from non-fueled α-processed Zircaloy-4 cladding coupons are presented herein. The data were generated in pressurized loops that simulated pressurized water reactor (PWR) chemistry, temperature, and neutron flux conditions. High neutron flux and high-fluence post-transition corrosion rates were accelerated over out-of-flux post-transition corrosion rates by more than 40 times at 270 deg. C and more than 30 times at 310 deg. C We conclude in large part that the acceleration was caused by irradiation-induced changes to the base metal. The effect that irradiation has on the base metal and its effect on corrosion has been shown in the past to be carried over into post-irradiation tests in autoclave environments, but its impact was shown in this study to be accentuated in the in-reactor environment, in which sustained corrosion accelerations were much greater than observed in the postirradiation tests (in non-irradiation environments). This suggests some aspect of the radiation environment potentially acts synergistically with the corrosion film formed from the irradiation-damaged base metal to further accelerate in-reactor corrosion rates. We also present results from detailed microstructural examinations of thick (more than 25 μm) oxide films formed on α-processed Zircaloy-4 grown in a 360 deg. C autoclave and in the reactor. The examinations consisted of optical microscopy, field emission gun scanning electron microscopy, focused ion beam microscopy, analytical electron microscopy, and X-ray diffraction, with a focus on the evolution of the microstructure of the intermetallic precipitates in the oxide films during exposure to autoclave water or to the corroding environment under neutron irradiation. The film microstructure suggests that the water environment was closer to the oxide-metal interface in the films grown in the reactor than in the autoclave-grown corrosion films examined, but it was not obvious from the microstructural examinations how the radiation environment facilitated that effect. (authors)

36 MATERIALS SCIENCE↗