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At least 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Neutron diffraction study on very high elastic strain of 6% in an Fe{sub 3}Pt under compressive stress

An Fe{sub 3}Pt alloy with degree of order 0.75 exhibits a second-order-like martensitic transformation from a cubic structure to a tetragonal one at about 90 K; its tetragonality c/a changes nearly continuously from 1 to 0.945 on cooling from 90 K to 14 K. We have investigated the change in lattice parameters in a single crystal of the Fe{sub 3}Pt alloy at 93 K under compressive stresses, σ, applied in the [001] direction by neutron diffraction. The tetragonality c/a has decreased continuously from 1 to 0.907 with an increase in |σ| up to |σ| = 280 MPa; the corresponding lattice strain in the [001] direction, due to the continuous structure change, increases from 0% to 6.1%. When the stress of 300 MPa is reached, c/a has changed abruptly from 0.907 to 0.789 due to a first-order martensitic transformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Neutron diffraction studies for realtime leaching of catalytic Ni

The leaching of Al from intermetallic samples of Nickel Aluminium alloys to form Raney-type nickel catalysts is widely used in the hydrogenation industry, however, little is known of the leaching process itself. In this study, the leaching of Al was measured in realtime, in situ, using the high-flux powder neutron diffractometer, D20, at the Institut Laue-Langevin. Despite the liberation of hydrogen and effervescent nature of the reaction the transformation of the dry powder phases into Raney-type Ni was determined. Samples produced by gas-atomisation were found to leach faster than those produced using the cast and crushed technique. Regardless of processing route of the precursor powder, the formation of spongy-Ni occurs almost immediately, while Ni{sub 2}Al{sub 3} and NiAl{sub 3} continue to transform over longer periods of time. Small-angle scattering and broadening of the diffraction peaks is an evidence for the formation of the smaller Ni particles. Understanding the kinetics of the leaching process will allow industry to refine production of catalysts for optimum manufacturing time while knowledge of leaching dynamics of powders produced by different manufacturing techniques will allow further tailoring of catalytic materials.

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

Direct observation of intrinsic piezoelectricity of Pb(Zr,Ti)O{sub 3} by time-resolved x-ray diffraction measurement using single-crystalline films

Lead zirconate titanate, Pb(Zr,Ti)O{sub 3} or PZT, is one of the most widely investigated ferroelectric and piezoelectric materials due to its superior properties. However, the intrinsic properties of PZT have not been directly measured due to the lack of fabrication of single crystals even though a basic understanding of intrinsic properties has been of interest developing lead-free piezoelectric materials. We demonstrated the direct observation of the intrinsic piezoelectric property by means of the detection of electric-field induced crystal lattice distortion of thick Pb(Zr{sub 0.35}Ti{sub 0.65})O{sub 3} single-crystalline films with single polar-axis orientation and negligible residual strain using the time-resolved X-ray diffraction (XRD) together with the polarization response. Consequently, the effective converse piezoelectric response was experimentally revealed; hence, the electrostrictive coefficient, which is the conversion coefficient between the electrical and mechanical response, was determined. The obtained effective electrostrictive coefficient was 5.2–6.3 × 10{sup −2} m{sup 4}/C{sup 2}, which agrees with theoretical prediction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Epitaxial polymorphism of La{sub 2}O{sub 3} on Si(111) studied by in situ x-ray diffraction

The phase formation of La{sub 2}O{sub 3} epitaxial films during growth on Si(111) is investigated by synchrotron-based in situ grazing incidence x-ray diffraction and high resolution transmission electron microscopy. We find that first a 2–4 nm thick cubic bixbyite La{sub 2}O{sub 3} layer grows at the interface to Si(111) substrate, followed by a hexagonal La{sub 2}O{sub 3} film. Hence, to keep a cubic on cubic heteroepitaxy and to achieve high quality epitaxial nanostructures or multi-layers, the thickness of the interfacial La{sub 2}O{sub 3} layer has to be restricted to 2 nm. The larger formation energy of the cubic phase can only partially be compensated by the biaxial strain in the epitaxial film based on density functional perturbation theory. Hence, the stabilization of the cubic phase is not due to bulk strain but could be related to a lower surface or interface free energy, or to kinetic effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Boron phosphide under pressure: In situ study by Raman scattering and X-ray diffraction

Cubic boron phosphide, BP, has been studied in situ by X-ray diffraction and Raman scattering up to 55 GPa at 300 K in a diamond anvil cell. The bulk modulus of B{sub 0} = 174(2) GPa has been established, which is in excellent agreement with our ab initio calculations. The data on Raman shift as a function of pressure, combined with equation-of-state (EOS) data, allowed us to estimate the Grüneisen parameters of the TO and LO modes of zinc-blende structure, γ{sub G}{sup TO }= 1.26 and γ{sub G}{sup LO }= 1.13, just like in the case of other A{sup III}B{sup V} diamond-like phases, for which γ{sub G}{sup TO }> γ{sub G}{sup LO }≅ 1. We also established that the pressure dependence of the effective electro-optical constant α is responsible for a strong change in relative intensities of the TO and LO modes from I{sub TO}/I{sub LO} ∼ 0.25 at 0.1 MPa to I{sub TO}/I{sub LO} ∼ 2.5 at 45 GPa, for which we also find excellent agreement between experiment and theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Highly constrained ferroelectric [BaTiO{sub 3}]{sub (1−x)Λ}/[BaZrO{sub 3}]{sub xΛ} superlattices: X-ray diffraction and Raman spectroscopy

We report an x-ray diffraction (XRD) and a Raman-scattering investigation of ferroelectric/paraelectric superlattices [BaTiO{sub 3}] {sub (1−x)Λ}/[BaZrO{sub 3}]{sub xΛ} for which the composition varied, 0.15 ≤ x ≤ 0.85, while the superlattice (SL) modulation period Λ was kept constant at about 100 Å. The samples were epitaxially grown by pulsed laser deposition on MgO substrates buffered with La{sub 0.5}Sr{sub 0.5}CoO{sub 3}. Based on the XRD analysis and on polarized Raman spectra, we have showed that the large strain in SLs induced ferroelectricity in BaZrO{sub 3} (BZ) for all SLs, a material that is paraelectric in the bulk form at any temperature and in the single film. The induced polar axis in BZ layers is perpendicular to the plane of substrate while BaTiO{sub 3} (BT) layers exhibit in-plane polar orientation. Raman spectroscopy revealed a lattice ordering in SLs due to the misfit strain generated by the large lattice mismatch between the alternating BZ and BT layers. This strain induced a huge upward frequency of the lowest E(1TO) soft mode from 60 cm{sup −1} in the BT single film to 215 cm{sup −1} in the SL with x = 0.85. These results show that in spite of relatively large periodicity of SLs, they are highly constrained and the variation of BZ ratio allowed modifying strains between layers. The temperature dependence of the Raman spectra for BT{sub 0.3Λ}/BZ{sub 0.7Λ} and BT{sub 0.7Λ}/BZ{sub 0.3Λ} samples revealed giant shift of the ferroelectric phase transition. The phase transition temperature was found to be upshifted by about 300 °C with respect to BT single crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

In-situ neutron diffraction study of martensitic variant redistribution in polycrystalline Ni-Mn-Ga alloy under cyclic thermo-mechanical treatment

The influences of uniaxial compressive stress on martensitic transformation were studied on a polycrystalline Ni-Mn-Ga bulk alloy prepared by directional solidification. Based upon the integrated in-situ neutron diffraction measurements, direct experimental evidence was obtained on the variant redistribution of seven-layered modulated (7M) martensite, triggered by external uniaxial compression during martensitic transformation. Large anisotropic lattice strain, induced by the cyclic thermo-mechanical treatment, has led to the microstructure modification by forming martensitic variants with a strong 〈0 1 0〉{sub 7M} preferential orientation along the loading axis. As a result, the saturation of magnetization became easier to be reached.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Study of liquid gallium as a function of pressure and temperature using synchrotron x-ray microtomography and x-ray diffraction

The volume change of liquid and solid gallium has been studied as a function of pressure and temperature up to 3.02 GPa at 300 K and up to 3.63 GPa at 330 K using synchrotron x-ray microtomography combined with energy dispersive x-ray diffraction techniques. Two sets of directly measured P-V data at 300 K and 330 K were obtained from 3D tomography reconstruction data, and the corresponding isothermal bulk moduli were determined as 23.6 (0.5) GPa and 24.6 (0.4) GPa, respectively. The existence of a liquid-liquid phase transition region is proposed based on the abnormal compressibility of Ga melt at about 2.44 GPa and 330 K conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal and soft magnetic properties of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles: In-situ X-ray diffraction and magnetometry studies

The structural evolution of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles has been studied by in-situ high-energy synchrotron X-ray diffraction (XRD) upon isochronal annealing. The changes in position, intensity, and full width at half maximum (FWHM) of the first and second diffuse maxima of the XRD patterns suggest the occurrence of irreversible structural relaxation upon the first heating up to a temperature close to the glass transition temperature T{sub g}. The variations in reduced pair correlation functions upon annealing are discussed in the frame of the topological fluctuation theory for structural relaxation. Isochronal annealing of the Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles improves their soft magnetic properties through decreasing the coercivity and increasing the magnetic susceptibility, saturation magnetization, and Curie temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

In situ synchrotron X-ray diffraction study of deformation behavior and load transfer in a Ti{sub 2}Ni-NiTi composite

The deformation behavior and load transfer of a dual-phase composite composed of martensite NiTi embedded in brittle Ti{sub 2}Ni matrices were investigated by using in situ synchrotron x-ray diffraction during compression. The composite exhibits a stage-wise deformation feature and a double-yielding phenomenon, which were caused by the interaction between Ti{sub 2}Ni and NiTi with alternative microscopic deformation mechanism. No load transfer occurs from the soft NiTi dendrites to the hard Ti{sub 2}Ni matrices during the pseudoplastic deformation (detwinning) of NiTi, which is significantly different from that previously reported in bulk metallic glasses matrices composites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Crystal structure and magnetic properties of Bi{sub 0.8}A{sub 0.2}FeO{sub 3} (A = La, Ca, Sr, Ba) multiferroics using neutron diffraction and Mossbauer spectroscopy

Bi{sub 0.8}A{sub 0.2}FeO{sub 3} (A = La, Ca, Sr, Ba) multiferroics were studied using x-ray, neutron diffraction and magnetization techniques. All the samples crystallized in rhombohedral structure with space group R3c. The compounds exhibit antiferromagnetic (AFM) ordering at 300 K and no evidence of further structural or magnetic transition was observed on lowering of temperature below it. The magnetic structure of these substituted compounds are found to be collinear G-type AFM structure as against the non collinear incommensurate magnetic structure reported in the case of parent compound. The moments on Fe at 6 K are aligned along the a-axis in the case of Ca-doped sample. With increase in the ionic radii of dopant, the moments are found to be aligned in the ac plane and the angle of tilt away from the a-axis increases. The observed change in the magnetic structure with substitution is attributed to the intrinsic structural distortion as evidenced by the change in the bond angle (Fe-O-Fe) and bond distances (Bi-O, Fe-O). It has been found that heterovalent substitution A{sup 2+} results in the formation of oxygen vacancies in the parent lattices as the possibility of Fe{sup 4+} ruled out by Mössbauer spectra recorded at room temperature. Higher value of remnant magnetization (0.4187 emu/g) and coercivity (4.7554kOe) is observed in Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3} sample in comparison to other substituted samples revealing a strong correlation between ionic radii and magnetization.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Strain characterization of fin-shaped field effect transistors with SiGe stressors using nanobeam electron diffraction

This study undertook strain analysis on fin-shaped field effect transistor structures with epitaxial Si{sub 1−x}Ge{sub x} stressors, using nano-beam electron diffraction and finite elements method. Combining the two methods disclosed dynamic strain distribution in the source/drain and channel region of the fin structure, and the effects of dimensional factors such as the stressor thickness and fin width, offering valuable information for device design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Impurity precipitation in atomized particles evidenced by nano x-ray diffraction computed tomography

Performances and physical properties of high technology materials are influenced or even determined by their initial microstructure and by the behavior of impurity phases. Characterizing these impurities and their relations with the surrounding matrix is therefore of primary importance but it unfortunately often requires a destructive approach, with the risk of misinterpreting the observations. The improvement we have done in high resolution X-ray diffraction computed tomography combined with the use of an X-ray nanoprobe allows non-destructive crystallographic description of materials with microscopic heterogeneous microstructure (with a grain size between 10 nm and 10 μm). In this study, the grain localization in a 2D slice of a 20 μm solidified atomized γU-Mo particle is shown and a minority U(C,O) phase (1 wt. %) with sub-micrometer sized grains was characterized inside. Evidence is presented showing that the onset of U(C,O) grain crystallization can be described by a precipitation mechanism since one single U-Mo grain has direct orientation relationship with more than one surrounding U(C,O) grains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO{sub 4}:Dy TL material

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO{sub 4}) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO{sub 4} with average crystallite size of 74 nm with orthorhombic crystal system. The TL behavior of produced CaSO{sub 4}:Dy was studied using a TLD reader after exposure to gamma ray by Co{sup 60} source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Tuning of colossal dielectric constant in gold-polypyrrole composite nanotubes using in-situ x-ray diffraction techniques

In-situ x-ray diffraction technique has been used to study the growth process of gold incorporated polypyrrole nanotubes that exhibit colossal dielectric constant due to existence of quasi-one-dimensional charge density wave state. These composite nanotubes were formed within nanopores of a polycarbonate membrane by flowing pyrrole monomer from one side and mixture of ferric chloride and chloroauric acid from other side in a sample cell that allows collection of x-ray data during the reaction. The size of the gold nanoparticle embedded in the walls of the nanotubes was found to be dependent on chloroauric acid concentration for nanowires having diameter more than 100 nm. For lower diameter nanotubes the nanoparticle size become independent of chloroauric acid concentration and depends on the diameter of nanotubes only. The result of this study also shows that for 50 nm gold-polypyrrole composite nanotubes obtained with 5.3 mM chloroauric acid gives colossal dielectric constant of about 10{sup 7}. This value remain almost constant over a frequency range from 1Hz to 10{sup 6} Hz even at 80 K temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Growth and nucleation regimes in boron doped silicon by dynamical x-ray diffraction

The oxygen precipitation of highly (17.5 mΩ cm) and moderately (4.5 Ω cm) boron (B) doped silicon (Si) crystals at 780 °C is investigated by following in-situ the evolution of diffraction Pendellösung oscillations. All samples show an initial diffusion-driven growth process which may change over into Ostwald ripening. For the highly doped sample and involving a nucleation step at 450 °C for 30 h, the precipitate density ρ is enhanced by a factor of 8 as compared to the moderately doped sample. The influence of a high B concentration on ρ is dramatically higher for the samples directly heated to 780 °C, where an enhancement factor of 80 is found. Considering Ostwald ripening as a second growth regime reveals consistent ripening rates and surface energies σ with those found at 900 °C in a previous publication.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Time-resolved synchrotron x-ray diffraction studies of the crystallization of amorphous Co (80-x) Fe x B₂₀

This paper addresses the time-dependent crystallization process occurring in “bulk” amorphous Co (80-x) Fe x B₂₀ (x = 20, 40) metallic ribbons by means of synchrotron x-ray diffraction (SXRD) and transmission electron microscopy. Metallic ribbons, produced via melt-spinning technique, were annealed in-situ, with SXRD patterns collected every 60 s. SXRD reveals that Co₄₀Fe₄₀B₂₀ alloys crystallize from an amorphous structure to a primary bcc α-(Co,Fe) phase, whereas Co₆₀Fe₂₀B₂₀ initially crystallizes into the same bcc α-(Co,Fe) but exhibits cooperative growth of both stable and metastable boride phases later into the hold. Johnson-Mehl-Avrami-Kolmogorov statistics was used on post annealed samples to determine the mechanisms of growth and the activation energy (E a ) of the α-(Co,Fe) phase. Results indicate that the growth mechanisms are similar for both alloy compositions for all annealing temperatures, with the Avrami exponent of n = 1.51(1) and 2.02(6) for x = 20 and 40, respectively, suggesting one-dimensional growth, with a decreasing nucleation rate. Activation energy for α-(Co,Fe) was determined to be 2.7(1) eV and 2.4(3) eV in x = 20 and 40, respectively, suggesting that those alloys with a lower Co content have a stronger resistance to crystallization. Based on these results, fabrication of CoFeB magnetic tunnel junctions via depositing amorphous layers and subsequently annealing to induce lattice matching presents itself as a viable and efficient method, for increasing the giant magnetoresistance in magnetic tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Observation of localized heating phenomena during microwave heating of mixed powders using in situ x-ray diffraction technique

In materials processing research using microwave heating, there have been several observations of various phenomena occurring known as microwave effects. One significant example of such a phenomenon is increased reaction kinetics. It is believed that there is a possibility that this might be caused by localized heating, were some reactants would attain a higher than apparent temperature. To examine whether such thermal gradients are indeed possible, mixed powders of two microwave non-absorbers, alumina and magnesia, were mixed with graphite, a known absorber, and heated in a microwave furnace. During microwave irradiation, the local temperatures of the respective sample constituents were measured using an in situ x-ray diffraction technique. In the case of the alumina and graphite sample, a temperature difference of around 100 °C could be observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗