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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A 31 T split-pair pulsed magnet for single crystal x-ray diffraction at low temperature

We have developed a pulsed magnet system with panoramic access for synchrotron x-ray diffraction in magnetic fields up to 31 T and at low temperature down to 1.5 K. The apparatus consists of a split-pair magnet, a liquid nitrogen bath to cool the pulsed coil, and a helium cryostat allowing sample temperatures from 1.5 up to 250 K. Using a 1.15 MJ mobile generator, magnetic field pulses of 60 ms length were generated in the magnet, with a rise time of 16.5 ms and a repetition rate of 2 pulses/h at 31 T. The setup was validated for single crystal diffraction on the ESRF beamline ID06.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Complete elastic constants of α−BaB{sub 2}O{sub 4}: Resonant ultrasound spectroscopy versus Schaefer-Bergmann diffraction

We utilized both resonant ultrasound spectroscopy (RUS) and Schaefer-Bergmann diffraction patterns (SBDP) to measure the elastic stiffness coefficients of the trigonal, non-piezo-electric crystal α−BaB{sub 2}O{sub 4}. RUS determines the elastic coefficients of a sample by matching measured resonant frequencies to a model of resonances. SBDP deduces the elastic coefficients by fitting the measured shape of the acousto-optic diffraction pattern to an acoustic slowness surface cross-section. We present our measured elastic coefficients of α−BaB{sub 2}O{sub 4} from both RUS and SBDP experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Diffraction-assisted micropatterning of silicon surfaces by ns-laser irradiation

Single-pulse (532 nm, 8 ns) micropatterning of silicon with nanometric surface modulation is demonstrated by irradiating through a diffracting pinhole. The irradiation results obtained at fluences above the melting threshold are characterized by scanning electron and scanning force microscopy and reveal a good agreement with Fresnel diffraction theory. The physical mechanism is identified and discussed on basis of both thermocapillary and chemicapillary induced material transport during the molten state of the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of microstructure anisotropy on the deformation of MAX polycrystals studied by in-situ compression combined with neutron diffraction

In situ compression tests combined with neutron diffraction were performed on Ti{sub 2}AlN MAX polycrystals with lamellar anisotropic microstructure: the diffraction peak evolution (position and profile) with applied stress reveals that lamellar grains parallel to compression axis remain elastic while lamellar grains perpendicular to compression plastify, both families being subjected to strong variations of heterogeneous strains (types II and III). We demonstrate that this behavior originates from the complex response of the very anisotropic lamellar microstructure and explains the observation of reversible hysteretic loops when cycling MAX polycrystals even in the elastic regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Digital model for X-ray diffraction with application to composition and strain determination in strained InAs/GaSb superlattices

We propose a digital model for high quality superlattices by including fluctuations in the superlattice periods. The composition and strain profiles are assumed to be coherent and persist throughout the superlattice. Using this model, we have significantly improved the fit with experimental X-ray diffraction data recorded from the nominal InAs/GaSb superlattice. The lattice spacing of individual layers inside the superlattice and the extent of interfacial intermixing are refined by including both (002) and (004) and their satellite peaks in the fitting. For the InAs/GaSb strained layer superlattice, results show: (i) the GaSb-on-InAs interface is chemically sharper than the InAs-on-GaSb interface, (ii) the GaSb layers experience compressive strain with In incorporation, (iii) there are interfacial strain associated with InSb-like bonds in GaSb and GaAs-like bonds in InAs, (iv) Sb substitutes a significant amount of In inside InAs layer near the InAs-on-GaSb interface. For support, we show that the composition profiles determined by X-ray diffraction are in good agreement with those obtained from atom probe tomography measurement. Comparison with the kinetic growth model shows a good agreement in terms of the composition profiles of anions, while the kinetic model underestimates the intermixing of cations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic ordering in TbMn{sub 0.5}Cr{sub 0.5}O{sub 3} studied by neutron diffraction and first-principles calculations

The structure and magnetic ordering of bulk TbMn{sub 0.5}Cr{sub 0.5}O{sub 3} was revealed through bulk magnetization and neutron diffraction measurements, and first-principles calculations, respectively. G-type antiferromagnetic ordering of Mn{sup 3+} and Cr{sup 3+} moments was observed in the neutron diffraction data below Néel temperature T{sub N} ∼ 84 K. In addition, below ∼40 K, short-range magnetic ordering was identified correlating to a ferromagnetic component due to the canting of the moments along the c-axis. The spin configuration is consistent with the first-principles calculations. The magnetic structure revealed in the present TbMn{sub 0.5}Cr{sub 0.5}O{sub 3} sample is distinct from that observed for both end members TbMnO{sub 3} and TbCrO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fast atom diffraction from a β-Ga{sub 2}O{sub 3}(100) surface

Fast H, He atoms, and H{sub 2} molecules with projectile energies ranging from 200 eV up to 3 keV were scattered under a grazing angle of incidence from a clean and flat β-Ga{sub 2}O{sub 3}(100) surface. The bulk single crystal was grown by the Czochralski method and prepared via annealing under ultra-high vacuum conditions. For scattering along low-index directions, we observed defined diffraction patterns in the angular distributions for scattered projectiles. From the analysis of diffraction patterns, we derive the surface unit cell in good accord with the parameters b and c for the lattice of the bulk crystal and derive information on the termination of the surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Impact of pulse poling on static and dynamic ferroelastic-domain contributions in tetragonal Pb(Ti, Zr)O{sub 3} films determined by in-situ x–ray diffraction analysis

The effects of bipolar pulse poling on the ferroelastic domain structure and their contribution to the electrical and piezoelectric properties of Pb(Ti{sub 0.7}Zr{sub 0.3})O{sub 3} films are investigated. Micro x-ray diffraction measurements clearly show that the volume fraction of the c-domain increases irreversibly as the poling field is increased, leading to changes in the remanent polarization, dielectric constant, and piezoelectric coefficient. Theoretical estimations well explain the changes of remanent polarization and dielectric constant, but the increase in piezoelectric coefficient is much larger than the theoretical estimation. In-situ x-ray diffraction analysis under an electric field reveals that this disagreement is due to the unexpected activation of the ferroelastic domain wall motion. Our results provide new insight into the poling effect on the electric and piezoelectric properties of ferroelectric films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Near-surface density profiling of Fe ion irradiated Si (100) using extremely asymmetric x-ray diffraction by variation of the wavelength

In this work, we report on correlations between surface density variations and ion parameters during ion beam-induced surface patterning process. The near-surface density variations of irradiated Si(100) surfaces were investigated after off-normal irradiation with 5 keV Fe ions at different fluences. In order to reduce the x-ray probing depth to a thickness below 5 nm, the extremely asymmetrical x-ray diffraction by variation of wavelength was applied, exploiting x-ray refraction at the air-sample interface. Depth profiling was achieved by measuring x-ray rocking curves as function of varying wavelengths providing incidence angles down to 0°. The density variation was extracted from the deviations from kinematical Bragg angle at grazing incidence angles due to refraction of the x-ray beam at the air-sample interface. The simulations based on the dynamical theory of x-ray diffraction revealed that while a net near-surface density decreases with increasing ion fluence which is accompanied by surface patterning, there is a certain threshold of ion fluence to surface density modulation. Our finding suggests that the surface density variation can be relevant with the mechanism of pattern formation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

An analytical study on the diffraction quality factor of open cavities

Open cavities are often employed as interaction structures in a new generation of coherent millimeter, sub-millimeter, and terahertz (THz) radiation sources called the gyrotron. One of the open ends of the cavity is intended for rapid extraction of the radiation generated by a powerful electron beam. Up to the sub-THz regime, the diffraction loss from this open end dominates over the Ohmic losses on the walls, which results in a much lower diffraction quality factor (Q{sub d}) than the Ohmic quality factor (Q{sub ohm}). Early analytical studies have led to various expressions for Q{sub d} and shed much light on its properties. In this study, we begin with a review of these studies, and then proceed with the derivation of an analytical expression for Q{sub d} accurate to high order. Its validity is verified with numerical solutions for a step-tunable cavity commonly employed for the development of sub-THz and THz gyrotrons. On the basis of the results, a simplified equation is obtained which explicitly expresses the scaling laws of Q{sub d} with respect to mode indices and cavity dimensions.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

High resolution coherent diffractive imaging with a table-top extreme ultraviolet source

We demonstrate a resolution of 45 nm with a sample size down to 3 μm × 3 μm is achieved in a short exposure time of 2 s, from the diffraction pattern generated by a table-top high harmonic source at around 30 nm. By using a narrow-bandwidth focusing mirror, the diffraction pattern's quality is improved and the required exposure time is significantly reduced. In order to obtain a high quality of the reconstructed image, the ratio of the beam size to the sample size and the curvature of the focused beam need to be considered in the reconstruction process. This new experimental scheme is very promising for imaging sub-10 nm scale objects with a table-top source based on a small inexpensive femtosecond laser system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A compact electron gun for time-resolved electron diffraction

A novel compact time-resolved electron diffractometer has been built with the primary goal of studying the ultrafast molecular dynamics of photoexcited gas-phase molecules. Here, we discuss the design of the electron gun, which is triggered by a Ti:Sapphire laser, before detailing a series of calibration experiments relating to the electron-beam properties. As a further test of the apparatus, initial diffraction patterns have been collected for thin, polycrystalline platinum samples, which have been shown to match theoretical patterns. The data collected demonstrate the focusing effects of the magnetic lens on the electron beam, and how this relates to the spatial resolution of the diffraction pattern.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Inhomogeneous thermal expansion of metallic glasses in atomic-scale studied by in-situ synchrotron X-ray diffraction

Numerous investigations have demonstrated that the elastic strain in metallic glasses subjected to mechanical loading could be inhomogeneous in the atomic-scale and it increases with distance from an average atom and eventually reaches the macroscopic strain at larger inter-atomic distances. We have observed a similar behavior for the thermal strain imposed by heating of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles below the glass transition temperature by analysis of the scattering data obtained by in-situ high-energy synchrotron X-ray diffraction (XRD). The results imply that the volumetric thermal strains calculated from the shift in position of the principal diffraction maximum and reduced pair correlation function (PDF) peaks are in good agreement for the length scales beyond 0.6 nm, corresponding to the atoms located over the third near-neighbor shell. However, smaller and even negative volumetric thermal strains have been calculated based on the shifts in the positions of the second and first PDF peaks, respectively. The structural changes of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles are accompanied by decreasing the average coordination number of the first near-neighbor shell, which manifests the occurrence of local changes in the short-range order upon heating. It is believed that the detected length-scale dependence of the volumetric thermal strain is correlated with the local atomic rearrangements taking place in the topologically unstable regions of the glass governed by variations in the atomic-level stresses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Strain and lattice orientation distribution in SiN/Ge complementary metal–oxide–semiconductor compatible light emitting microstructures by quick x-ray nano-diffraction microscopy

This paper presents a study of the spatial distribution of strain and lattice orientation in CMOS-fabricated strained Ge microstripes using high resolution x-ray micro-diffraction. The recently developed model-free characterization tool, based on a quick scanning x-ray diffraction microscopy technique can image strain down to levels of 10{sup −5} (Δa/a) with a spatial resolution of ∼0.5 μm. Strain and lattice tilt are extracted using the strain and orientation calculation software package X-SOCS. The obtained results are compared with the biaxial strain distribution obtained by lattice parameter-sensitive μ-Raman and μ-photoluminescence measurements. The experimental data are interpreted with the help of finite element modeling of the strain relaxation dynamics in the investigated structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Impact factor for high-energy two and three jets diffractive production

We present the calculation of the impact factor for the photon to quark, antiquark and gluon transition within Balitsky’s shock-wave formalism. We also rederive the impact factor for photon to quark and antiquark transition. These results provide the necessary building blocks for further phenomenological studies of inclusive diffractive deep inelastic scattering as well as for two and three jets diffractive production which go beyond approximations discussed in the literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

CMS results on exclusive and diffractive production

We present recent CMS measurements of diffractive and exclusive processes, using data collected at 7 TeV at the LHC. Measurements of soft single- and double-diffractive cross sections are presented, as well as measurements of photon-induced processes including studies of exclusive WW production via photon-photon exchange.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

RENORM predictions of diffraction at LHC confirmed

The RENORM model predictions of diffractive, total, and total-inelastic cross sections at the LHC are confirmed by recent measurements. The predictions of several other available models are discussed, highlighting their differences from RENORM, mainly arising from the way rapidity gap formation, low- and high-mass diffraction, unitarization, and hadronization are implemented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗