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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Chemical synthesis, characterizations and magnetic properties of nanocrystalline Fe{sub 50}Co{sub 50} alloy

Nanocrystalline Fe{sub 50}Co{sub 50} alloy has been synthesized successfully by chemical reduction route using superhydride as reducing agent and oleic acid and oleylamine as capping agents. Phase purity, crystallite size and lattice parameters of the synthesized NPs are determined by X-ray powder diffraction method. FeCo alloy crystallizes in body centered cubic (bcc) structure having crystallite size equal to 29 nm and lattice parameters equal to 2.8546 Å. The size and shape morphologies of the material were studied by SEM analysis. SEM micrograph study shows the average particle size to be 60 nm and indicates the appearance of agglomerates of the nano-particles consisting of several crystallites. The room temperature magnetic hysteresis studies indicate ferromagnetic behavior of the materials. The values of saturation magnetization and coercivity were 65 emu/g and 460 Oe, respectively. Magnetic properties of the material were interpreted on the basis of fine particle magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis and photoluminescence study of Dy{sup 3+} doped Sr{sub 3}B{sub 2}O{sub 6}: Nanophosphors

In present paper, the combustion method synthesis of Dy{sup 3+} doped Sr{sub 3}B{sub 2}O{sub 6} nanophosphor and their luminescent properties have been reported. The crystalline structure and morphology of nanophosphors was confirmed and verify by the Xray powder diffraction (XRD) and transmission electron microscopy (TEM). The spectral properties of the Sr{sub 3}B{sub 2}O{sub 6}:Dy{sup 3+} nanophosphors have been studied with the photoluminescence (PL) spectroscopy. Under 300nm excitation, the PL emission shows three peaks at 482, 575 and 664 nm, corresponding to the {sup 4}F{sub 9/2}→{sup 6}H{sub 15/2}, {sup 4}F{sub 9/2}→{sup 6}H{sub 13/2} and {sup 4}F{sub 9/2}→{sup 4}H{sub 11/2} transition states. The 1931 CIE diagram gives the coordinates (x, y) as (0.38099, 0.40418) correspond to the shade of yellowish white emission of the Dy{sup 3+} ion which can be used as w-LED phosphors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Structural, vibrational and dielectric studies of (0.95)Pb(Zr{sub x}Ti{sub 1−x})O{sub 3}-(0.05)BiFeO{sub 3} nanoceramics

(0.95)Pb(Zr{sub x}Ti{sub 1−x})O{sub 3}-(0.05)BiFeO{sub 3} nanoceramics with x=0.51, 0.53 and 0.55 were synthesized by sol-gel route. Rietveld refined X-ray powder diffraction pattern of the samples confirm the single phase formation of compounds with tetragonal structure (P4mm). FT-IR studies revealed that slight shift of phonon modes towards the lower wave number and increase in the bond length with increasing Zr{sup 4+} concentration. Room temperature dielectric properties of system revealed that relaxor characteristics of these samples. Ferroelectric hysteresis curve shows the decrease in polarization values with Zr concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Rietveld refinement and dielectric studies of Bi{sub 0.8}Ba{sub 0.2}Fe{sub 0.95}V{sub 0.05}O{sub 3} ceramic

Polycrystalline Bi{sub 0.8}Ba{sub 0.2}Fe{sub 0.95}V{sub 0.05}O{sub 3} ceramic has been prepared by the conventional solid state reaction technique. The Rietveld refinement of x-ray powder diffraction revealed that the sample has a rhombohedral crystal structure (space group R3c) with average particle size of 29 nm. The values of dielectric constant (ε′) and dielectric loss (tan δ) increases with increasing temperature at different frequencies which may be the result of increase in the number of charge carriers and their mobilities due to the thermal activation. The Jonscher’s universal power law used to analyze the ac conductivity. In the measured temperature range, the values of frequency exponent ‘s’ are less than one and shows a continous decrease which is attributed to the short range translational hopping assisted by large polaron hopping mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1} = 226 K, T{sub 2} = 264 K, and T{sub 3} = 297 K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup −1}–10{sup 7} Hz frequency range and 203–313 K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Equation of state for Eu-doped SrSi{sub 2}O{sub 2}N{sub 2}

α-SrSi{sub 2}O{sub 2}N{sub 2} is one of the recently studied oxonitridosilicates applicable in optoelectronics, in particular in white LEDs. Its elastic properties remain unknown. A survey of literature shows that, up to now, nine oxonitridosilicate materials have been identified. For most of these compounds, doped with rare earths and manganese, a luminescence has been reported at a wavelength characteristic for the given material; all together cover a broad spectral range. The present study focuses on the elastic properties of one of these oxonitridosilicates, the Eu-doped triclinic α-SrSi{sub 2}O{sub 2}N{sub 2}. High-pressure powder diffraction experiments are used in order to experimentally determine, for the first time, the equation of state of this compound. The in situ experiment was performed for pressures ranging up to 9.65 GPa, for Eu-doped α-SrSi{sub 2}O{sub 2}N{sub 2} sample mounted in a diamond anvil cell ascertaining the hydrostatic compression conditions. The obtained experimental variation of volume of the triclinic unit cell of α-SrSi{sub 2}O{sub 2}N{sub 2}:Eu with rising pressure served for determination of the Birch-Murnaghan equation of state. The determined above quoted bulk modulus is 103(5) GPa, its first derivative is 4.5(1.1). The above quoted bulk modulus value is found to be comparable to that of earlier reported oxynitrides of different composition.

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

Orthorhombic-tetragonal phase coexistence and enhanced piezo-response at room temperature in Zr, Sn, and Hf modified BaTiO{sub 3}

The effect of Zr, Hf, and Sn in BaTiO{sub 3} has been investigated at close composition intervals in the dilute concentration limit. Detailed structural analysis by x-ray and neutron powder diffraction revealed that merely 2 mol. % of Zr, Sn, and Hf stabilizes a coexistence of orthorhombic (Amm2) and tetragonal (P4mm) phases at room temperature. As a consequence, all the three systems show substantial enhancement in the longitudinal piezoelectric coefficient (d{sub 33}), with Sn modification exhibiting the highest value ∼425 pC/N.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tuning ferroic states in La doped BiFeO{sub 3}-PbTiO{sub 3} displacive multiferroic compounds

In this manuscript, X-ray and high-resolution neutron powder diffraction investigations, associated with Rietveld refinements, magnetic hysteresis curves and a modeling of electron-density distributions around the ions, are used to describe the driving forces responsible for tuning the ferroic states in La doped (0.6)BiFeO{sub 3}-(0.4)PbTiO{sub 3} compositions. The intrinsic relations between the ferroic orders and the structural arrangements (angles, distances and electron-density distributions around the ions) are revealed, helping in the understanding of some aspects comprising the ferroic properties of perovskite-based displacive multiferroic compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Strong enhancement in thermal conductivity of ethylene glycol-based nanofluids by amorphous and crystalline Al{sub 2}O{sub 3} nanoparticles

In the present work, the temperature and concentration dependence of thermal conductivity (TC) enhancement in ethylene glycol (EG)-based amorphous and crystalline Al{sub 2}O{sub 3} nanofluids have been investigated at temperatures ranging from 0 to 100 °C. In our prior study, nanometer-sized particles of amorphous-, γ-, and α-Al{sub 2}O{sub 3} were prepared via a simple sol-gel process with annealing at different temperatures and characterized by various techniques. Building upon the earlier study, we probe here the crystallinity, microstructure, and morphology of the obtained α-Al{sub 2}O{sub 3} nanoparticles (NPs) by using X-ray powder diffraction with Rietveld full-profile refinement, scanning electron microscopy, and high-resolution transmission electron microscopy, respectively. In this study, we achieved a 74% enhancement in TC at higher temperature (100 °C) of base fluid EG by incorporating 1.0 vol. % of amorphous-Al{sub 2}O{sub 3}, whereas 52% and 37% enhancement is accomplished by adding γ- and α-Al{sub 2}O{sub 3} NPs, respectively. The amorphous phase of NPs appears to have good TC enhancement in nanofluids as compared to crystalline Al{sub 2}O{sub 3}. In a nutshell, these results are demonstrating the potential consequences of Al{sub 2}O{sub 3} NPs for applications of next-generation efficient energy transfer in nanofluids.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effect of triethanolamine:ethylenediamine ratios on CuO nanoparticles prepared by ultrasound irradiation

Coral-spherical-shaped of copper oxide nanoparticles have been successfully synthesized with different ratios of triethanolamine:ethylenediamine surfactant under ultrasonic condition. By controlling the amplitude of the ultrasonic radiation and concentration of metal salt precursors and surfactant, the formation of CuO nanospheres was obtained. Energy dispersive X-ray spectrum confirmed that Cu and O are the only elementary components present with a ratio of approximately 1:1. Furthermore, X-ray powder diffraction spectra for all the examined ratios of CuO showed well crystalline structures. UV-Vis spectroscopy was utilized to estimate the band gap energies of the CuO nanoparticles produced, which were found to be in the range of 2.74 eV to 2.95 eV. The field emission scanning electron micrographs of these nanospheres showed that their dimensions were in the range of 5-30 nm. These results indicate that the triethanolamine:ethylenediamine ratio plays an important role in the formation of different sized CuO nanoparticles, displaying a decrement in particle size with the increment in amount of triethanolamine ratios. This might be the key to synthesizing nanoparticles with specific sizes for various applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Polymorphs calcium carbonate on temperature reaction

Calcium carbonate (CaCO{sub 3}) has three different crystal polymorphs, which are calcite, aragonite and vaterite. In this study, effect of reaction temperature on polymorphs and crystallite structure of CaCO{sub 3} was investigated. X-ray powder diffraction (XRD), fourier transform infrared (FTIR), and variable pressure scanning electron microscope (VPSEM) were used to characterize the obtained CaCO{sub 3} particles. The obtained results showed that CaCO{sub 3} with different crystal and particle structures can be formed by controlling the temperature during the synthesis process.

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

High-pressure structural and elastic properties of Tl₂O₃

The structural properties of Thallium (III) oxide (Tl₂O₃) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl₂O₃ has been determined and compared to related compounds. It has been found experimentally that Tl₂O₃ remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we have studied theoretically the possible high-pressure phases of Tl₂O₃. Although a phase transition is theoretically predicted at 5.8 GPa to the orthorhombic Rh₂O₂-II-type structure and at 24.2 GPa to the orthorhombic α-Gd₂S₃-type structure, neither of these phases were observed experimentally, probably due to the hindrance of the pressure-driven phase transitions at room temperature. The theoretical study of the elastic behavior of the cubic bixbyite-type structure at high-pressure shows that amorphization above 22 GPa at room temperature might be caused by the mechanical instability of the cubic bixbyite-type structure which is theoretically predicted above 23.5 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The influence of the iron content on the reductive decomposition of A{sub 3−x}Fe{sub x}Al{sub 2}Si{sub 3}O{sub 12} garnets (A = Mg, Mn; 0.47 ≤ x ≤ 2.85)

Thermally-induced reductive decomposition of natural iron-bearing garnets of the almandine-pyrope and almandine-spessartine series were studied at temperatures up to 1200 °C (heating rate of 10 °C/min) under atmosphere of forming gas (10% of H{sub 2} in N{sub 2}). Crystallochemical formula of the studied garnet was calculated as {sup VIII}(A{sub 3−x}Fe{sub x}{sup 2+}){sup VI}(Al,Fe{sup 3+}){sub 2}Si{sub 3}O{sub 12}, where the amount of Fe{sup 3+} in the octahedral sites is negligible with the exception of pyrope, A = Mg, Mn, and 0.47 ≤ x ≤ 2.85. The observed decomposition temperature, determined from differential scanning calorimetry and thermogravimetry, is greater than 1000 °C in all cases and showed almost linear dependence on the iron content in the dodecahedral sites of the studied garnets, with the exception of garnet with a near-pyrope composition (Prp{sub 80}Alm{sub 20}). The initial garnet samples and decomposition products were characterized in details by means of X-ray powder diffraction and {sup 57}Fe Mössbauer spectroscopy. We found that all studied garnets have common decomposition products such as metallic iron (in general, rounded particles below 4 μm) and Fe-spinel; the other identified decomposition products depend on starting chemical composition of the garnet: Fe-cordierite, olivine (fayalite or tephroite), cristobalite, pyroxene (enstatite or pigeonite), and anorthite. Anorthite and pigeonite were only present in garnets with Ca in the dodecahedral site. All the identified phases were usually well crystallized.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermally-induced solid state transformation of β‐Fe{sub 2}O{sub 3} nanoparticles in various atmospheres

To date, iron oxides have become one of the most studied nanomaterials due to their interesting and aaplication appealing physical, chemical, and biological properties in comparison with their bulk counterparts. In general, four forms of iron(III) oxide can be distinguished depending on their crystallographic and magnetic properties. In this work, one of the rare phases of iron(III) oxide, β‐Fe{sub 2}O{sub 3}, prepared by the solid state reaction was explored for the thermal transformations in various ambient atmospheres, including O{sub 2}, N{sub 2}, and CO{sub 2} atmospheres. The thermally treated products were investigated employing X-ray powder diffraction and {sup 57}Fe Mössbauer spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Facile synthesis of SiO{sub 2} nanoparticles for biomedical applications

Silica nanoparticles (SiO{sub 2} NPs) for biomedical applications have been prepared by using a facile modified Stöber-synthesis. Potassium borohydride (KBH{sub 4}) has been introduced in the synthesis procedure in order to control NP size. Several samples have been prepared varying tetraethylorthosilicate (TEOS) concentration, and using different process conditions (temperature, reaction time and atmosphere). In order to study the influence of the process conditions on the NP size, morphology and properties, several characterization techniques were used. Size and morphology of the as-prepared SiO{sub 2} NPs have been studied by using Transmission Electron Microscope (TEM) and Dynamic Light Scattering (DLS) techniques. Structural characterization was carried out by X-ray powder diffraction. To investigate the SiO{sub 2} NP fluorescence emission properties the fluorescence spectroscopy was also used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optimizing white light luminescence in Dy{sup 3+}-doped Lu{sub 3}Ga{sub 5}O{sub 12} nano-garnets

Trivalent dysprosium-doped Lu{sub 3}Ga{sub 5}O{sub 12} nano-garnets have been prepared by sol-gel method and characterized by X-ray powder diffraction, high-resolution transmission electron microscopy, dynamic light scattering, and laser excited spectroscopy. Under a cw 457 nm laser excitation, the white luminescence properties of Lu{sub 3}Ga{sub 5}O{sub 12} nano-garnets have been studied as a function of the optically active Dy{sup 3+} ion concentration and at low temperature. Decay curves for the {sup 4}F{sub 9/2} level of Dy{sup 3+} ion exhibit non-exponential nature for all the Dy{sup 3+} concentrations, which have been well-fitted to a generalized energy transfer model for a quadrupole-quadrupole interaction between Dy{sup 3+} ions without diffusion. From these data, a simple rate-equations model can be applied to predict that intense white luminescence could be obtained from 1.8 mol% Dy{sup 3+} ions-doped nano-garnets, which is in good agreement with experimental results. Chromaticity color coordinates and correlated color temperatures have been determined as a function of temperature and are found to be within the white light region for all Dy{sup 3+} concentrations. These results indicate that 2.0 mol% Dy{sup 3+} ions doped nano-garnet could be useful for white light emitting device applications.

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

Structural and magnetic properties of yttrium and lanthanum-doped Ni-Co and Ni-Co-Zn spinel ferrites

Rare earth doping of Co-rich spinel ferrites is investigated through the preparation of two groups of polycrystalline Ni-Co and Ni-Co-Zn ferrites, where Fe is partly substituted by Y and La. The characterization of the sintered ferrites by means of X-ray powder diffraction and Rietveld profile analysis, indicates the subtle expansion of the spinel unit cell and the cation redistribution in the doped ferrites in order to accommodate the incorporation of Y and La in the lattice. The impurity traces, detected only in the Ni-Co-Zn group, is ascribed to the Zn population in the tetrahedral A-sites impeding the cation transfer. Moreover, the examined microstructure of the doped Ni-Co samples comprises enlarged and more homogeneous grains, whereas grain growth is moderated in the doped Ni-Co-Zn ferrites. The discussed characteristics of the crystal and magnetic structure along with the morphological aspects define the impact of Y and La doping on the static magnetic properties of Ni-Co and Ni-Co-Zn ferrites, saturation magnetization MS and coercivity HC, which were extracted from the respective hysteresis loops.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermoelectric transport properties of diamond-like Cu{sub 1−x}Fe{sub 1+x}S{sub 2} tetrahedral compounds

Polycrystalline samples with the composition of Cu{sub 1−x}Fe{sub 1+x}S{sub 2} (x = 0, 0.01, 0.03, 0.05, 0.1) were synthesized by a melting-annealing-sintering process. X-ray powder diffraction reveals all the samples are phase pure. The backscattered electron image and X-ray map indicate that all elements are distributed homogeneously in the matrix. The measurements of Hall coefficient, electrical conductivity, and Seebeck coefficient show that Fe is an effective n-type dopant in CuFeS{sub 2}. The electron carrier concentration of Cu{sub 1−x}Fe{sub 1+x}S{sub 2} is tuned within a wide range leading to optimized power factors. The lattice phonons are also strongly scattered by the substitution of Fe for Cu, leading to reduced thermal conductivity. We use Debye approximation to model the low temperature lattice thermal conductivity. It is found that the large strain field fluctuation introduced by the disordered Fe ions generates extra strong phonon scatterings for lowered lattice thermal conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗