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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

The wave energy flux of high frequency diffracting beams in complex geometrical optics

We consider the construction of asymptotic solutions of Maxwell's equations for a diffracting wave beam in the high frequency limit and address the description of the wave energy flux transported by the beam. With this aim, the complex eikonal method is applied. That is a generalization of the standard geometrical optics method in which the phase function is assumed to be complex valued, with the non-negative imaginary part accounting for the finite width of the beam cross section. In this framework, we propose an argument which simplifies significantly the analysis of the transport equation for the wave field amplitude and allows us to derive the wave energy flux. The theoretical analysis is illustrated numerically for the case of electron cyclotron beams in tokamak plasmas by using the GRAY code [D. Farina, Fusion Sci. Technol. 52, 154 (2007)], which is based upon the complex eikonal theory. The results are compared to those of the paraxial beam tracing code TORBEAM [E. Poli et al., Comput. Phys. Commun. 136, 90 (2001)], which provides an independent calculation of the energy flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

In-situ energy dispersive x-ray diffraction study of the growth of CuO nanowires by annealing method

The in-situ growth of CuO nanowires was studied by Energy Dispersive X-ray Diffraction (EDXRD) to observe the mechanism of growth. The study was carried out for comparison at two temperatures—at 500 °C, the optimum temperature of the nanowires growth, and at 300 °C just below the temperature range of the growth. The in situ observation revealed the successive oxidation of Cu foil to Cu{sub 2}O layer and finally to CuO layer. Further analysis showed the presence of a compressive stress in CuO layer due to interface at CuO and Cu{sub 2}O layers. The compressive stress was found to increase with the growth of the nanowires at 500 °C while it relaxed with the growth of CuO layer at 300 °C. The present results do not support the existing model of stress relaxation induced growth of nanowires. Based on the detailed Transmission Electron Microscope, Scanning Electron Microscope, and EDXRD results, a microstructure based growth model has been suggested.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Determination of transient atomic structure of laser-excited materials from time-resolved diffraction data

The time evolution of the Bragg peaks of photo-excited gold nanofilms is measured using transmission ultrafast electron diffraction (UED) with 3.0 MeV electron pulses and the corresponding structure evolution is calculated using two-temperature molecular dynamics (2T-MD). The good agreement obtained between the measured and calculated Bragg peaks, over the full experimental timescale, enables the lattice temperature effects and the structural changes to be disentangled for the first time. The agreement demonstrates that 2T-MD is a reliable method for solving the inverse problem of structure determination of laser irradiated metals in UED measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2013

In-situ stress analysis with X-Ray diffraction for yield locus characterization of sheet metals

A main problem in the field of sheet metal characterization is the inhomogeneous plastic deformation in the gauge regions of specimens which causes the analytically calculated stresses to differ from the sought state of stress acting in the middle of the gauge region. To overcome this problem, application of X-Ray diffraction is analyzed. For that purpose a mobile X-ray diffractometer and an optical strain measurement system are mounted on a universal tensile testing machine. This enables the recording of the whole strain and stress history of a material point. The method is applied to uniaxial tension tests, plane strain tension tests and shear tests to characterize the interstitial free steel alloy DC06. The applicability of the concepts of stress factors is verified by uniaxial tension tests. The experimentally obtained values are compared with the theoretical values calculated with crystal elasticity models utilizing the orientation distribution functions (ODF). The relaxation problem is addressed which shows itself as drops in the stress values with the strain kept at a constant level. This drop is analyzed with elasto-viscoplastic material models to correct the measured stresses. Results show that the XRD is applicable to measure the stresses in sheet metals with preferred orientation. The obtained yield locus is expressed with the Yld2000–2D material model and an industry oriented workpiece is analyzed numerically. The comparison of the strain distribution on the workpiece verifies the identified material parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Neutron diffraction study of MnNiGa{sub 2}—Structural and magnetic behaviour

MnNiGa{sub 2} crystallizes in the L21 (Heusler) structure and has a ferromagnetic ordering temperature T{sub C} ∼ 192 K. Rietveld refinement of the neutron diffraction patterns indicates that the Ga atoms occupy the equivalent 8c position, while Mn and Ni share the 4a (0, 0, 0) and 4b (0.5, 0.5, 0.5) sites with a mixed occupancy of Mn and Ni atoms. It is found that that ∼83% of Mn and ∼17% Ni are located at the 4a site while ∼83% of Ni and ∼17% Mn occupy the 4b site. There is no evidence of a magneto-volume effect around T{sub C}. In agreement with this finding, our detailed critical exponent analyses of isothermal magnetization curves and the related Arrott plots confirm that the magnetic phase transition at T{sub C} is second order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermoelastic study of nanolayered structures using time-resolved X-ray diffraction at high repetition rate

We investigate the thermoelastic response of a nanolayered sample composed of a metallic SrRuO{sub 3} electrode sandwiched between a ferroelectric Pb(Zr{sub 0.2}Ti{sub 0.8})O{sub 3} film with negative thermal expansion and a SrTiO{sub 3} substrate. SrRuO{sub 3} is rapidly heated by fs-laser pulses with 208 kHz repetition rate. Diffraction of X-ray pulses derived from a synchrotron measures the transient out-of-plane lattice constant c of all three materials simultaneously from 120 ps to 5 μs with a relative accuracy up to Δc/c = 10{sup −6}. The in-plane propagation of sound is essential for understanding the delayed out-of-plane compression of Pb(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Study of microstress state of P91 steel using complementary mechanical Barkhausen, magnetoacoustic emission, and X-ray diffraction techniques

The paper deals with assessment of microstress state of martensite P91 steel using three complementary techniques: mechanical Barkhausen emission, magnetoacoustic emission (MAE), and X-ray diffraction (XRD) profile analysis. Magnetic coercivity Hc and microstructure were investigated with inductive magnetometry and magnetic force microscopy (MFM), respectively. Internal stress level of P91 steel was modified by heat treatment. Steel samples were austenitized, quenched, and then tempered at three temperatures (720 °C, 750 °C, and 780 °C) during increasing time (from 15 min up to 240 min). The microstrain level ε{sub i} was evaluated using Williamson–Hall method. It was revealed that during tempering microstrain systematically decreases from ε{sub i} = 2.5 × 10{sup −3} for as quenched state down to ε{sub i} = 0.3 × 10{sup −3} for well tempered samples. Both mechanical hardness (Vicker's HV) and magnetic hardness (coercivity) decrease almost linearly with decreasing microstrain while the MAE and MBE intensities strongly increase. Tempering leads to evident shift of the MeBN intensity maximum recorded for the first load towards lower applied strain values and to increase of MAE intensity. This indicates that the microstress state deduced by magnetic techniques is correlated with microstrains evaluated with XRD technique.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Strength and equation of state of NaCl from radial x-ray diffraction

The strength and equation of state of NaCl were determined under nonhydrostatic compression up to 27 GPa using an energy-dispersive radial x-ray diffraction technique in a diamond-anvil cell using the lattice strain theory. Together with estimation of the high-pressure shear modulus, it is suggested that NaCl could support a maximum differential stress of 0.980 GPa at 22.6 GPa under uniaxial compression. The differential stress rapidly drops at 27.2 GPa due to the phase transition from B1 phase to B2 phase for NaCl. The hydrostatic compression data of B1 phase yield a bulk modulus K{sub 0} = 25.6(8) GPa and its pressure derivative K{sub 0}′ = 5.16(20) using Pt pressure scale. In addition, a comparative study of the observed pressures from Pt scale and ruby-fluorescence scale shows that the ruby-fluorescence pressures may reflect the lower stress state under nonhydrostatic compression compared with hydrostatic compression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Photometric study of single-shot energy-dispersive x-ray diffraction at a laser plasma facility

The low repetition rates and possible shot-to-shot variations in laser-plasma studies place a high value on single-shot diagnostics. For example, white-beam scattering methods based on broadband backlighter x-ray sources are used to determine changes in the structure of laser-shocked crystalline materials by the evolution of coincidences of reciprocal lattice vectors and kinematically allowed momentum transfers. Here, we demonstrate that white-beam techniques can be extended to strongly disordered dense plasma and warm dense matter systems where reciprocal space is only weakly structured and spectroscopic detection is consequently needed to determine the static structure factor and thus, the ion-ion radial distribution function. Specifically, we report a photometric study of energy-dispersive x-ray diffraction (ED-XRD) for structural measurement of high energy density systems at large-scale laser facilities such as OMEGA and the National Ignition Facility. We find that structural information can be obtained in single-shot ED-XRD experiments using established backlighter and spectrometer technologies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

High-pressure x-ray diffraction study of YBO{sub 3}/Eu{sup 3+}, GdBO{sub 3}, and EuBO{sub 3}: Pressure-induced amorphization in GdBO{sub 3}

Angle-dispersive synchrotron X-ray diffraction measurements were performed on vaterite-type YBO{sub 3}/Eu{sup 3+}, GdBO{sub 3}, and EuBO{sub 3}, respectively, up to 41 GPa at room temperature using a diamond-anvil cell. Pressure-induced amorphization was observed in hexagonal GdBO{sub 3} with a significant compression along the c-axis. Compared to the ions of the distorted GdBO{sub 3} phase, its anions may lose their long-range order prior to the cations at high pressures. Based on the experimental pressure-volume data, the obtained bulk moduli of YBO{sub 3}/Eu{sup 3+} and GdBO{sub 3} are 329 and 321 GPa, respectively, which are more than 90% larger than that of EuBO{sub 3} (167 GPa) and are presumably attributed to Gd{sup 3+} and Y{sup 3+} with a high density of d valence electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Neutron diffraction study of the magnetic-field-induced transition in Mn{sub 3}GaC

The antiperovskite Mn{sub 3}GaC undergoes an isostructural cubic–cubic first order transition from a low-temperature, large-cell-volume antiferromagnetic state to a high-temperature, small-cell-volume ferromagnetic state at around 160 K. The transition can also be induced by applying a magnetic field. We study here the isothermal magnetic-field-evolution of the transition as ferromagnetism is stabilized at the expense of antiferromagnetism. We make use of the presence of the two distinct cell volumes of the two magnetic states as a probe to observe by neutron diffraction the evolution of the transition, as the external magnetic field carries the system from the antiferromagnetic to the ferromagnetic state. We show that the large-volume antiferromagnetic and the small-volume ferromagnetic states coexist in the temperature range of the transition. The ferromagnetic state is progressively stabilized as the field increases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Symmetry determination on Pb-free piezoceramic 0.5Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-0.5(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} using convergent beam electron diffraction method

(1−x)(Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-x(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} (BZT-xBCT) Pb-free piezoceramic has been reported showing ultrahigh piezoelectric performance in its morphotropic phase boundary (MPB) region. However, the crystal structure characteristic for the MPB composition of BZT-xBCT is still under debate—between single orthorhombic phase and tetragonal + rhombohedral two phase mixture. In the present study, we perform the local symmetry determination on the MPB composition x = 0.5 using convergent beam electron diffraction analysis (CBED). Our CBED results from multiple zone axes suggest that there are two coexisting phases with the point group symmetries of 4 mm (tetragonal) and 3 m (rhombohedral) respectively, which agree with two phase mixture model. The strong piezoelectricity can thus be understood by considering the polarization rotation between tetragonal and rhombohedral phases by external field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Characterization of metastable crystal structure for Co-Pt alloy thin film by x-ray diffraction

Co{sub 50}Pt{sub 50} and Co{sub 75}Pt{sub 25} (at. %) alloy epitaxial films with the close-packed plane parallel to the substrate surface are prepared on MgO(111) substrates with and without Ti(0001) underlayer at 300 °C. The structural properties are investigated by using a combination of out-of-plane, in-plane, and pole-figure x-ray diffractions. The crystal structure is determined by taking into account the order degree and the atomic stacking sequence of close-packed plane. Formation of a metastable ordered fcc-based L1{sub 1}-CoPt phase is recognized for the Co{sub 50}Pt{sub 50} film deposited on MgO(111) substrate, whereas a metastable ordered hcp-based B{sub h}-CoPt phase is involved in the Co{sub 50}Pt{sub 50} film deposited on Ti(0001) underlayer in addition to an L1{sub 1}-CoPt phase. The Co{sub 75}Pt{sub 25} film deposited on MgO(111) consists of a mixture of ordered hcp-based phases of B{sub h}-CoPt and D0{sub 19}-Co{sub 3}Pt. An accurate order degree is calculated by comparing the out-of-plane superlattice and fundamental reflection data. A simplified method for estimating the order degree, where there are only two kinds of parameter: intensity ratio of superlattice to fundamental reflection and out-of-plane lattice spacing, is also proposed. The order degree estimated by the simplified method agrees in a small error less than a few percentages with the accurate value.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Diffraction-induced subradiant transverse-magnetic lattice plasmon modes in metal nanoparticle arrays

This Letter reports theoretical and experimental study of transverse-magnetic-like lattice plasmon modes originating from diffraction in periodic two dimensional arrays of metal nanoparticles. These modes lead to the transmission and reflection spectra exhibiting narrow linewidth Fano-like resonances which can appear as maxima, minima, or can have asymmetric peak-and-dip profile. The dependencies of the position and lineshape of the resonance on the lattice periodicity and angle of incidence are investigated. Numerical simulations of electric field distributions for different excitation conditions of lattice plasmon modes are also performed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

FeCoSiBNbCu bulk metallic glass with large compressive deformability studied by time-resolved synchrotron X-ray diffraction

By adding 0.5 at. % Cu to the strong but brittle [(Fe{sub 0.5}Co{sub 0.5}){sub 0.75}Si{sub 0.05}B{sub 0.20}]{sub 96}Nb{sub 4} bulk metallic glass, fully amorphous rods with diameters up to 2 mm were obtained. The monolithic samples with 1 mm diameter revealed a fracture strain of 3.80% and a maximum stress of 4143 MPa upon compression, together with a slight work-hardening behavior. SEM micrographs of fractured samples did neither reveal any shear bands on the lateral surface nor the typical vein patterns which characterize ductile fracture. However, some layers appear to have flowed and this phenomenon took place before the brittle final fracture. An estimate of the temperature rise ΔT in the shear plane gives 1039 K, which is large enough to melt a layer of 120 nm. The overall performance and the macroscopic plastic strain depend on the interaction between cleavage-like and viscous flow-like features. Mechanical tests performed in-situ under synchrotron radiation allowed the calculation of the strain tensor components, using the reciprocal-space data and analyzing the shift of the first (the main) and the second broad peak positions in the X-ray diffraction patterns. The results revealed that each atomic shell may have a different stiffness, which may explain the macroscopic compressive plastic deformation. Also, there were no signs of (nano) crystallization induced by the applied stress, but the samples preserve a monolithic amorphous structure until catastrophic failure occurs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Analysis of surface integrity of grinded gears using Barkhausen noise analysis and x-ray diffraction

The contribution is focused to present results of study grinded gears made of 18CrNiMo7-6 steel used in the wind power plant for support (service) purposes. These gears were case-hardened due to standard hard case and soft core formation. This heat treatment increases wear resistance and fatigue strength of machine parts. During serial production some troubles with surface integrity have occurred. When solving complex problems lots of samples were prepared. For grinding of gears were used different parameters of cutting speed, number of material removal and lots from different subsuppliers. Material characterization was carried out using Barkhausen noise analysis (BNA) device; X-ray diffraction (XRD) measurement of surface residual stresses was done as well. Depth profile of measured characteristics, e.g. magnetoelastic parameter and residual stress was obtained by step by step layers' removing using electrolytic etching. BNA software Viewscan was used to measure magnetizing frequency sweep (MFS) and magnetizing voltage sweep (MVS). Scanning of Magnetoelastic parameter (MP) endwise individual teeth were also carried out with Viewscan. These measurements were done to find problematic surface areas after grinding such as thermal damaged locations. Plots of the hardness and thickness of case-hardened layer on cross sections were measurered as well. Evaluation of structure of subsurface case-hardened layer and core was made on etched metallographic patterns. The aim of performed measurements was to find correlation between conditions of grinding, residual stresses and structural and magnetoelastic parameters. Based on correlation of measured values and technological parameters optimizing the production of gears will be done.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

X-ray nano-diffraction study of Sr intermetallic phase during solidification of Al-Si hypoeutectic alloy

The evolution of strontium (Sr) containing intermetallic phase in the eutectic reaction of Sr-modified Al-Si hypoeutectic alloy was studied with high energy synchrotron beam source for nano-diffraction experiments and x-ray fluorescence elemental mapping. Contrary to popular belief, Sr does not seem to interfere with the Twin Plane Re-entrant Edge (TPRE) growth mechanism of eutectic Si, but evolves as the Al{sub 2}Si{sub 2}Sr phase during the eutectic reaction at the boundary between the eutectic Si and Al grains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

X-ray diffraction study of crystalline barium titanate ceramics

In this study, BaTiO{sub 3} ceramics have been prepared via solid-state reaction method. The powders were calcined for 2 hours at different temperatures ranging from 600°C to 1200°C. Using X-ray diffraction with a Rietveld analysis, the phase formation and crystal structure of the BaTiO{sub 3} powders were studied. Change in crystallite size and tetragonality as a function of calcination temperature were also discussed. It has been found that the formation of pure perovskite phase of BaTiO{sub 3} began at calcination condition of 1000 °C for 2 hours. The crystal structure of BaTiO{sub 3} formed is in the tetragonal structure. The second phases of BaCO{sub 3} and TiO{sub 2} existed with calcination temperature below 1000 °C. Purity, crystallite size and tetragonality of BaTiO{sub 3} powders were found to increase with increasing calcination temperature.

36 MATERIALS SCIENCE↗