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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Structural and optical properties of Nd{sup 3+} doped gadolinium oxide 1D nanorods

Neodymium doped gadolinium hydroxide [Nd:Gd(OH)3] nanorods were successfully synthesized at 60 °C through co-precipitation method. The dopant percentage was maintained at 5% and calcination was done at 750 °C temperature for 1 hour to form the respective neodymium doped gadolinium oxide [Nd:Gd{sub 2}O{sub 3}] nanorods. The as-formed and annealed products were investigated in detail by using powder X-ray diffraction (XRD) pattern, scanning electron microscopy (SEM) with an energy dispersive X-ray spectrum (EDX), high-resolution transmission electron microscopy (HRTEM) and photoluminescence (PL) spectrophotometry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Synthesis and characterization of lanthanum doped zinc oxide nanoparticles

La doped ZnO (Zn{sub 1-x}La{sub x}O, x = 0, 3, 6 and 9) were prepared via chemical co-precipitation method using Zinc Acetate, Lanthanum Acetate and Sodium Hydroxide at 50°C. Hydrate nanoparticles were annealed in air at 300°C for 3 hours. The synthesized samples have been characterized by powder X-ray diffraction and UV–Visible spectrophotometer. The XRD measurement revealsthat the prepared nanoparticles have different microstructure without changing a hexagonal wurtzite structure. The result shows the change in nanoparticles size with the increment of lanthanum concentration for lower concentration for x = 0 to 6 and decreases at x = 9.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Nanocomposites with silver nanoparticles based on copolymer of 1-vinyl-1,2,4-triazole with N-vinylpyrrolidone

New functional silver polymer nanocomposites were synthesized using copolymer of 1-vinyl-1,2,4-triazole with N-vinylpyrrolidone as a stabilizer of the formed metal nanoparticles. The formation of a metal phase in the nanosized state was confirmed by powder X-ray diffraction. According to transmission electron microscopy, the obtained polymer nanocomposites consist of isolated nanoparticles with diameter from 1 to 12 nm having a predominately spheric form, which are uniformly distributed throughout the bulk of the polymeric matrix. The nanocomposites are characterized by different degrees of nanoparticle size distribution, which is determined by the ability of the polymeric matrix to stabilize different metal content.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Synthesis, characterisation, optical and luminescence properties of CoAl{sub 2}O{sub 4}

Solid state method has been used as an efficient method to synthesize blue pigment CoAl{sub 2}O{sub 4} at a temperature of 800°C. The products were characterized by powder X-ray diffraction (XRD), Fourier transformer infrared spectroscopy (FTIR), UV-Visible diffuse reflectance spectroscopy (DRS) and luminescent spectroscopy. X-ray diffraction pattern confirmed the formation of single phase CoAl{sub 2}O{sub 4}. Optical properties of CoAl{sub 2}O{sub 4} ceramic shows an energy band gap in the range of 3.10eV. The emission spectra of spinel CoAl{sub 2}O{sub 4} in the visible region confirmed the presence of tetrahedral coordinated Co{sup 2+} ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Influence of fuel on phase formation of ZnFe{sub 2}O{sub 4} prepared by self-propagated combustion route

Zinc iron oxide (ZnFe{sub 2}O{sub 4}) nanoparticles were prepared by self-propagated combustion route.The fuel plays a major role on the formation of structure and particle size. Here three different fuels like alanine, glycine and proline were used to synthesis the zinc iron oxide nanoparticle. Influence of combustion nature through the fuel, the phase formation, particle size, band gap and surface morphology has been modified. The prepared powder was characterized by powder X-ray diffraction method (PXRD), field-emission scanning electron microscopy (FE-SEM) and the composition of the material was analysed by X-ray energy dispersive spectroscopy (EDAX).The elemental mapping was confirmed the uniform distribution of Zn, Fe and O elements in the prepared material of ZnFe{sub 2}O{sub 4}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Equation of state of rhenium and application for ultra high pressure calibration

The isothermal equation of state of rhenium has been measured by powder X-ray diffraction experiments up to 144 GPa at room temperature in a diamond anvil cell. A helium pressure transmitting medium was used to minimize the non-hydrostatic stress on the sample. The fit of pressure-volume data yields a bulk modulus K{sub 0} = 352.6 GPa and a pressure derivative of the bulk modulus K′{sub 0}=4.56. This equation of state differs significantly from a recent determination [Dubrovinsky et al., Nat. Commun. 3, 1163 (2012)], giving here a lower pressure at a given volume. The possibility of using rhenium gasket X-ray diffraction signal, with the present equation of state, to evaluate multi-Mbar pressures in the chamber of diamond anvil cells is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid

Five new metal-organic frameworks (MOFs) with 5-(4-carboxybenzoylamino)-isophthalic acid (H₃L), namely, [Cd₉L₆(DMA)₆]·4DMA (1), [Cd₃L₂(H₂O)₉]·4H₂O (2), [LaL(H₂O)₄]·2H₂O (3), [CeL(H₂O)₄]·H₂O (4) and [Tb(HL)(H₂L)(H₂O)₃]·5H₂O (5) (DMA=N,N-dimethylacetamide), have been synthesized. Complex 1 shows a three-dimensional architecture generated from linkage of Cd–O chains via L³⁻ ligands. Minor variations in synthetic conditions of 1 afforded 2, which features an interesting 2D→3D catenation architecture containing helical chains. Complexes 3 and 4 are isostructural and each feature a two-dimensional architecture constructed from the linkage of L³⁻ with Ln³⁺. Complex 5 displays a chain-like structure, of which the most interesting feature is the existence of free carboxylic acid (–COOH) group which may confer unique functionality. Moreover, the investigations of the thermal stability, powder X-ray diffractions and solid-state photoluminescent properties for these crystalline materials have been carried out. - Graphical Abstract: Solvothermal reactions of tricarboxylate ligand H₃L with Cd²⁺/Ln³⁺ has yielded a series of new MOFs containing interesting structural motifs. Highlights: • A tricarboxylate ligand whose coordinating functionalities are not symmetry equivalent is employed to construct MOFs. • Complex 2 features an interesting 2D→3D catenation architecture containing helical chains. • Complex 3 feature chain-like structure containing free – COOH group, which may confer unique functionality. • Photoluminescent properties and thermal behaviors for 1–5 have been reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Use of CaO as an activator for producing a price-competitive non-cement structural binder using ground granulated blast furnace slag

The use of calcium oxide (CaO) demonstrates a superior potential for the activation of ground granulated blast furnace slag (GGBFS), and it produces a higher mechanical strength than calcium hydroxide [Ca(OH){sub 2}]. The mechanical strength differences between CaO- and Ca(OH){sub 2}-activated GGBFS binders are explored using isothermal calorimetry, powder X-ray diffraction, thermogravimetric and differential thermal analysis (TGA and DTA) as well as compressive strength testing. Calcium silicate hydrate (C–S–H), Ca(OH){sub 2} and a hydrotalcite-like phase are found as reaction products in all samples. The TGA and DTA results indicate that the use of CaO produces more C–S–H, although this is not likely to be the primary cause of higher strength development in the CaO-activated GGBFS. Rather, other factors such as porosity may govern the strength at a higher order of magnitude. Significant reduction of Ca(OH){sub 2} occurs only with the use of Ca(OH){sub 2}, followed by the formation of carbonate (CaCO{sub 3}), indicating carbonation. -- Highlights: •CaO showed a better potential for the activation of GGBFS than Ca(OH){sub 2}. •Strength test, XRD, TGA/DTA and isothermal calorimetry are used. •C-S-H, Ca(OH){sub 2}, and a hydrotalcite-like phase are found in all samples. •The use of Ca(OH){sub 2} causes some degree of carbonation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Novel synthesis of Ni-ferrite (NiFe{sub 2}O{sub 4}) electrode material for supercapacitor applications

Novel nanocrystalline NiFe{sub 2}O{sub 4} has been synthesized through combustion route using citric acid as a fuel. Phase of the synthesized material was analyzed using powder X-ray diffraction. The XRD study revealed the formation of spinel phase cubic NiFe{sub 2}O{sub 4} with high crystallinity. The average crystallite size of NiFe{sub 2}O{sub 4} nanomaterial was calculated from scherrer equation. The electrochemical properties were realized by cyclic voltammetry, chronopotentiometry and electrochemical impedance spectroscopy. The electrode material shows a maximum specific capacitance of 454 F/g with pseudocapacitive behavior. High capacitance retention of electrode material over 1000 continuous charging-discharging cycles suggests its excellent electrochemical stability. The results revealed that the nickel ferrite electrode is a potential candidate for energy storage applications in supercapacitor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Effect of reinforcing particle type on morphology and age-hardening behavior of Al–4.5 wt.% Cu based nanocomposites synthesized through mechanical milling

The effects of reinforcing particle type (SiC and TiC) on morphology and precipitation hardening behavior of Al–4.5%Cu based nanocomposites synthesized via mechanical milling were investigated in the current work. In order to study the microstructure and morphology of mechanically milled powder, X-ray diffraction technique, scanning electron microscopy and high resolution transmission electron microscopy were utilized. Results revealed that at the early stages of mechanical milling, when reinforcing particles are polycrystal, the alloying process is enhanced more in the case of using the TiC particles as reinforcement. But, at the final stages of mechanical milling, when reinforcing particles are single crystal, the alloying process is enhanced more in the case of using the SiC ones. Transmission electron microscopy results demonstrated that Al–4.5 wt.%Cu based nanocomposite powders were synthesized and confirmed that the mutual diffusion of aluminum and copper occurs through the interfacial plane of (200). The hardness results showed that not only does introducing 4 vol.% of reinforcing particles (SiC or TiC) considerably decrease the porosity of the bulk composite samples, but also it approximately doubles the hardness of Al–4.5 wt.%Cu alloy (53.4 HB). Finally, apart from TEM and scanning electron microscopy observation which are localized, a decline in hardness in the TiC and SiC contained samples, respectively, after 1.5 and 2 h aging time at 473 K proves the fact that the size of SiC particles is smaller than the size of the TiC ones. - Highlights: ► HRTEM results show mutual diffusion of Al and Cu occurs through the (200) planes. ► TiC particles enhance alloying process more than the SiC ones at the early stages of MM. ► SiC particles enhance alloying process more than the TiC ones at the final stages of MM.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide using DFT-D calculations and {sup 13}C solid-state NMR

The crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide contains an imine tautomer, rather than the previously reported amine tautomer. The tautomers can be distinguished using dispersion-corrected density functional theory calculations and by comparison of calculated and measured {sup 13}C solid-state NMR spectra. The crystal structure of the title compound, C{sub 11}H{sub 13}N{sub 3}O{sub 2}S{sub 2}, has been determined previously on the basis of refinement against laboratory powder X-ray diffraction (PXRD) data, supported by comparison of measured and calculated {sup 13}C solid-state NMR spectra [Hangan et al. (2010 ▶). Acta Cryst. B66, 615–621]. The mol@@ecule is tautomeric, and was reported as an amine tautomer [systematic name: N-(5-ethyl-1,3,4-thia@@diazol-2-yl)-p-toluene@@sulfonamide], rather than the correct imine tautomer. The protonation site on the mol@@ecule’s 1,3,4-thia@@diazole ring is indicated by the inter@@molecular contacts in the crystal structure: N—H⋯O hydrogen bonds are established at the correct site, while the alternative protonation site does not establish any notable inter molecular inter@@actions. The two tautomers provide essentially identical Rietveld fits to laboratory PXRD data, and therefore they cannot be directly distinguished in this way. However, the correct tautomer can be distinguished from the incorrect one by previously reported qu@@anti@@tative criteria based on the extent of structural distortion on optimization of the crystal structure using dispersion-corrected density functional theory (DFT-D) calculations. Calculation of the {sup 13}C SS-NMR spectrum based on the correct imine tautomer also provides considerably better agreement with the measured {sup 13}C SS-NMR spectrum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Crystal and electronic structures of two new iron selenides: Ba{sub 4}Fe{sub 3}Se{sub 10} and BaFe{sub 2}Se{sub 4}

The new ternary selenides, Ba{sub 4}Fe{sub 3}Se{sub 10} and BaFe{sub 2}Se{sub 4,} were synthesized from a reaction of appropriate amounts of elements at high temperature in a silica sealed tube, and their structures were resolved using X-ray single crystal diffraction. BaFe{sub 2}Se{sub 4} crystallizes in the tetragonal space group I4/m with a=8.008(9) Å and c=5.483(3) Å as cell parameters. It is a new compound with a structure isotypical to the sulfide BaFe{sub 2}S{sub 4} which belongs to the infinitely adaptive structures series Ba{sub 1+x}Fe{sub 2}S{sub 4}. The second compound, Ba{sub 4}Fe{sub 3}Se{sub 10}, crystallizes in the monoclinic space group P2{sub 1}/n with a=8.8593(1) Å, b=8.8073(1) Å, c=12.2724(1) Å and β=109.037(6)° as cell parameters. It exhibits an original structure with a new type of iron selenide polyhedra. These data were consistent with the powder X-ray diffraction and TEM analyses. Their electronic structures point towards metallicity and electronic correlations for both selenides. - Graphical abstract: Experimental [010] oriented ED pattern and corresponding HREM image of Ba{sub 4}Fe{sub 3}Se{sub 10}. Image calculated with a focus and thickness to 15nm and 8 nm respectively is inserted. Bright contrasts are correlated to Se rows belonging to FeSe{sub 3}(Se{sub 2}){sup 2−}–FeSe{sub 6}–FeSe{sub 3}(Se{sub 2}){sup 2−} trimers. The corresponding structure projection is also shown. - Highlights: • Two new barium iron selenide compounds. • An original structure type Ba4Fe3Se10. • Electronic structure calculations.

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

Electrochemical preparation of poly(methylene blue)/graphene nanocomposite thin films

Highlights: • Poly(MB)/graphene thin films are prepared by a simple electrochemical approach. • Graphene layers in the film show a broad band in visible region of absorbance spectra. • Morphology of composite films indicates both disordered and ordered regions. • XRD reveals that nanocomposite films include rGO layers after electropolymerization process. • Chemically prepared graphene is better than electrochemically prepared graphene for electrooxidation of nitrite. - Abstract: Poly(methylene blue)/graphene nanocomposite thin films were prepared by electropolymerization of methylene blue in the presence of graphene which have been synthesized by two different methods of a chemical oxidation process and an electrochemical approach. Synthesized nanocomposite thin films were characterized by using cyclic voltammetry, UV–vis. absorption spectroscopy, powder X-ray diffraction, and scanning tunneling microscopy techniques. Electrocatalytical properties of prepared poly(methylene blue)/graphene nanocomposite films were compared toward electrochemical oxidation of nitrite. Under optimized conditions, electrocatalytical effect of nanocomposite films of chemically prepared graphene through electrochemical oxidation of nitrite was better than that of electrochemically prepared graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Kinetics of hydrogen adsorption on MgH{sub 2}/CNT composite

Highlights: • Hydrogen adsorption comparisons of commercial, milled, and MgH{sub 2} composite. • Hydrogen adsorption capacity and kinetics improves tremendously by CNT embedding. • Unsteady state modeling and simulation of adsorption kinetics. - Abstract: Magnesium hydride (MgH{sub 2})–carbon nanotubes (CNT) composite has been prepared by high-energy ball milling method and their experimental and kinetic hydrogen adsorption studies was assessed. Hydrogen adsorption studies were performed by Sievert’s volumetric apparatus and kinetic evaluation was conducted by surface chemistry and Langmuir–Hinshelwood–Hougen–Watson (LHHW) type mode. Powder X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) were performed. Hydrogen adsorption capacity of commercial MgH{sub 2}, milled MgH{sub 2}, and MgH{sub 2}/CNT composite are found to be 0.04, 0.057, and 0.059 g (H{sub 2})/g (MgH{sub 2}) at 673 K and hydrogen pressure of 4.6 MPa. Addition of 5 wt% of CNTs to MgH{sub 2} proved to be very critical to enhance hydrogen adsorption as well as to improve its kinetics. It was observed that hydrogen adsorption is not in quasi-state equilibrium and is modeled using kinetic rate laws.

36 MATERIALS SCIENCE↗
DOE OSTI2015

NIR to visible upconversion emission in Tm{sup 3+} doped Na{sub 2}Y{sub 2}B{sub 2}O{sub 7} powder phosphor

Tm{sup 3+} ions doped Na{sub 2}Y{sub 2}B{sub 2}O{sub 7} powder phosphor has been synthesized through combustion method. Crystal structure and phase of the prepared sample have been investigated by powder X-ray diffraction (XRD) analysis. Upconversion emission bands in the 400-900 nm range under the excitation of 980nm diode laser have been acquired, and involved upconversion mechanism has been discussed with the help of a suitable energy level diagram. The colour coordinate of developed phosphor has been calculated by CIE chromaticity diagram. Present phosphor can be used in fabrication of upconverting LEDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Synthesis, characterization and conductivity studies of ZnFe{sub 2}O{sub 4} nanoparticles

Transition metal ferrites with general formula AB{sub 2}O{sub 4} (A=Co, Cu, Mn, Zn, B=Fe{sup +3}) could be used as an anode materials in lithium ion battery (LIB), because, lithium ion batteries fabricated using ferrite materials show the high capacity than commonly used graphite. The ZnFe{sub 2}O{sub 4} with cubic spinel structured material was prepared by acrylamide assisted citrate combustion process. Phase, structural coordination and thermal behavior of the prepared ZnFe{sub 2}O{sub 4} were confirmed by powder X-ray diffraction, FTIR spectra and TG/DTA thermogram respectively. Morphology and specific surface area of the ZnFe{sub 2}O{sub 4} were identified by SEM and BET surface analyzer respectively and its conductivity studies were made through impedance spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of Ni diffusion annealing temperature on crucial characterization of Bi-2223 superconducting system

In this current work, influence of diffusion annealing temperature (650-850°C) on the electrical, superconducting and structural characterizations of pure and Ni diffused Bi-2223 materials produced by conventional solid-state reaction route is surveyed by dc electrical resistivity (ρ-T), transport critical current density (J{sub c}) and powder X-ray diffraction (XRD) measurements. All the experimental findings indicate that the curial characteristics, being responsible for the novel and feasible applications, improve significantly with the enhancement of the diffusion annealing temperature up to the certain value of 700 °C after which they degrade dramatically, meaning that the properties initially get better and better as a consequence of the penetration of more and more Ni concentrations into the superconducting grains or over grain boundaries in the Bi-2223 crystal matrix. From the diffusion annealing temperature value of 700 °C onwards, the excess penetration of the Ni nanoparticles along with consecutively stacked layers in the Bi-2223 crystal structure is, however, unfavorable for the attractive and feasible applications due to new induced disorders, local structural distortions and artificial dislocations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Crystal growth and characterization of new semiorganic nonlinear optical single crystals

An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40–45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm{sup 3}, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗