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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Periodically distributed objects with quasicrystalline diffraction pattern

It is possible to construct fully periodically distributed objects with a diffraction pattern identical to the one obtained for quasicrystals. These objects are probability distributions of distances obtained in the statistical approach to aperiodic structures distributed periodically. The diffraction patterns have been derived by using a two-mode Fourier transform—a very powerful method not used in classical crystallography. It is shown that if scaling is present in the structure, this two-mode Fourier transform can be reduced to a regular Fourier transform with appropriately rescaled scattering vectors and added phases. Detailed case studies for model sets 1D Fibonacci chain and 2D Penrose tiling are discussed. Finally, it is shown that crystalline, quasicrystalline, and approximant structures can be treated in the same way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Neutron diffraction study of Bi doped cubic spinel Co{sub 2}MnO{sub 4}

Polycrystalline Bi doped spinel Bi{sub x}Co{sub 2-x}MnO{sub 4} compounds were prepared by solid state reaction route. Room temperature neutron diffraction study reveals that all the compounds are formed in cubic phase and there is no change in the crystal structure due to Bi doping and the compound has cubic structure with Fd-3m space group. Cell parameter found to increase with respect to Bi doping and ferrimagnetic nature is established through magnetization. Low temperature neutron diffraction is carried out and emphasis the ferrimagnetic ordering in the samples of Bi{sub x}Co{sub 2-x}MnO{sub 4} series.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Induced magnetic anisotropy in Si-free nanocrystalline soft magnetic materials: A transmission x-ray diffraction study

In order to better understand the origin of field-induced anisotropy (K{sub u}) in Si-free nanocrystalline soft magnetic alloys, the lattice spacing of the bcc-Fe phase in nanocrystalline Fe{sub 94−x}Nb{sub 6}B{sub x} (x = 10, 12, 14) alloys annealed under an applied magnetic field has been investigated by X-ray diffraction in transmission geometry (t-XRD) with the diffraction vector parallel and perpendicular to the field direction. The saturation magnetostriction (λ{sub s}) of nanocrystalline Fe{sub 94−x}Nb{sub 6}B{sub x} was found to increase linearly with the volume fraction of the residual amorphous phase and is well described by taking into account the volume-weighted average of two local λ{sub s} values for the bcc-Fe nanocrystallites (−5 ± 2 ppm) and the residual amorphous matrix (+8 ± 2 ppm). The lattice distortion required to produce the measured K{sub u} values (∼100 J/m{sup 3}) was estimated via the inverse magnetostrictive effect using the measured λ{sub s} values and was compared to the lattice spacing estimations made by t-XRD. The lattice strain required to produce K{sub u} under the magnetoelastic model was not observed by the t-XRD experiments and so the findings of this study suggest that the origin of magnetic field induced K{sub u} cannot be explained through the magnetoelastic effect.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Coherent diffractive imaging of single layer microspheres

We report the extreme ultraviolet (XUV) coherent diffractive imaging of silica/polymer micro-particle samples illuminated by a table-top high harmonic generation source at the wavelength of 30 nm. We achieve images constructed from diffraction patterns acquired with 13 μm × 13 μm samples comprising a sparse monolayer of spherical silica and polymer micro-particles. Successful reconstructed image of an aperiodic sample using this HHG source will open the path to the realization of a compact soft x-ray microscope to investigate other complex absorbing samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A method for the monitoring of metal recrystallization based on the in-situ measurement of the elastic energy release using neutron diffraction

A method is proposed for the monitoring of metal recrystallization using neutron diffraction that is based on the measurement of stored energy. Experiments were performed using deformed metal specimens heated in-situ while mounted at the sample position of the High Resolution Powder Diffractometer, HRPD (ISIS Facility), UK. Monitoring the breadth of the resulting Bragg lines during heating not only allows the time-dependence (or temperature-dependence) of the stored energy to be determined but also the recrystallized fraction. The analysis method presented here was developed using pure nickel (Ni270) specimens with different deformation levels from 0.29 to 0.94. In situ temperature ramping as well as isothermal annealing was undertaken. The method developed in this work allows accurate and quantitative monitoring of the recrystallization process. The results from neutron diffraction are satisfactorily compared to data obtained from calorimetry and hardness measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Quasi-resonant enhancement of a grazing diffracted wave and deep suppression of specular reflection on shallow metal gratings in terahertz

We report on a previously unexamined anomaly at diffraction of THz radiation on metal gratings. This anomaly consists in a nearly complete redirection of energy to a non-specular homogeneous diffraction order propagating at a specific grazing angle and deep suppression of the specular reflection. We show that this anomaly is located far enough from the well-known one caused by the resonant excitation of the surface plasmon-polariton. The effect under consideration is of general nature and can exist in all spectrum regions; however, it is especially pronounced in THz region, where it should be taken into account when analyzing relevant experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Note: Electrochemical cell for in operando X-ray diffraction measurements on a conventional X-ray diffractometer

Electrochemical in operando X-ray diffraction (XRD) is a powerful method to analyze structural changes of energy storage materials while inserting/de-inserting charge carriers, such as Li- or Na-ions, into/from a host structure. The design of an XRD in operando cell is presented, which enables the use of thin (6 μm) aluminum foil as X-ray window as a non-toxic alternative to conventional beryllium windows. Owing to the reduced thickness, diffraction patterns and their changes during cycling can be observed with excellent quality, which was demonstrated for two cathode materials for sodium-ion batteries in a half-cell set-up, P2-Na{sub 0.7}MnO{sub 2} and Na{sub 2.55}V{sub 6}O{sub 16} ⋅ 0.6H{sub 2}O.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Determination of transition metal ion distribution in cubic spinel Co{sub 1.5}Fe{sub 1.5}O{sub 4} using anomalous x-ray diffraction

We report anomalous x-ray diffraction studies on Co ferrite with composition Co{sub 1.5}Fe{sub 1.5}O{sub 4} to obtain the distribution of transition metal ions in tetrahedral and octahedral sites. We synthesize spinel oxide (Co{sub 1.5}Fe{sub 1.5}O{sub 4}) through co-precipitation and subsequent annealing route. The imaginary part (absorption) of the energy dependent anomalous form factor is measured and the real part is calculated theoretically through Kramers–Krönig transformation to analyze anomalous x-ray diffraction peak intensities. Fe and Co K-edge x-ray absorption near edge structure (XANES) spectra are used to estimate charge states of transition metals. Our analysis, within experimental errors, suggests 44% of the tetrahedral sites contain Co in +2 oxidation state and the rest 56% sites contain Fe in +2 and +3 oxidation states. Similarly, 47% of the octahedral sites contain Fe in +3 oxidation states, whereas, the rest of the sites contain Co in +2 and +3 oxidation states. While a distinct pre-edge feature in the Fe K-edge XANES is observed, Co pre-edge remains featureless. Implications of these results to magnetism are briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Real-time observation of coherent acoustic phonons generated by an acoustically mismatched optoacoustic transducer using x-ray diffraction

The spectrum of laser-generated acoustic phonons in indium antimonide coated with a thin nickel film has been studied using time-resolved x-ray diffraction. Strain pulses that can be considered to be built up from coherent phonons were generated in the nickel film by absorption of short laser pulses. Acoustic reflections at the Ni–InSb interface leads to interference that strongly modifies the resulting phonon spectrum. The study was performed with high momentum transfer resolution together with high time resolution. This was achieved by using a third-generation synchrotron radiation source that provided a high-brightness beam and an ultrafast x-ray streak camera to obtain a temporal resolution of 10 ps. We also carried out simulations, using commercial finite element software packages and on-line dynamic diffraction tools. Using these tools, it is possible to calculate the time-resolved x-ray reflectivity from these complicated strain shapes. The acoustic pulses have a peak strain amplitude close to 1%, and we investigated the possibility to use this device as an x-ray switch. At a bright source optimized for hard x-ray generation, the low reflectivity may be an acceptable trade-off to obtain a pulse duration that is more than an order of magnitude shorter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A facility for X-ray diffraction in magnetic fields up to 25 T and temperatures between 15 and 295 K

A facility for X-ray diffraction has been developed at the National High Magnetic Field Laboratory. It brings diffraction capability to the 25 T Florida split coil magnet and implements temperature control in a range of 15–295 K using a cold finger helium cryostat. This instrument represents an alternative to pulsed magnetic field systems, and it exceeds the static magnetic fields currently available at synchrotron facilities. Magnetic field compatibility of an X-ray source and detectors with the sizable magnetic fringe fields emanating from the magnet constrained the design of the diffractometer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Crystal and magnetic structures of Cr{sub 1∕3}NbSe{sub 2} from neutron diffraction

Neutron diffraction measurements of the Cr intercalated niobium diselenide Cr{sub 1∕3}NbSe{sub 2} together with magnetization measurements have revealed that this compound exhibits ferromagnetic ordering below T{sub C} = 96 K unlike a chiral helimagnetic order observed in the sulfide compound Cr{sub 1∕3}NbS{sub 2}. As derived from neutron diffraction data, the Cr magnetic moments μ{sub Cr} = 2.83 ± 0.03 μ{sub B} in Cr{sub 1∕3}NbSe{sub 2} are aligned within basal plane. The discrepancy in the magnetic states of Cr{sub 1∕3}NbS{sub 2} and Cr{sub 1∕3}NbSe{sub 2} is ascribed to the difference in the preferential site occupation of Cr ions in crystal lattices. In Cr{sub 1∕3}NbSe{sub 2}, the Cr ions are predominantly distributed over 2b Wyckoff site, which determines a centrosymmetric character of the crystal structure unlike Cr{sub 1∕3}NbS{sub 2}, where the Cr ions are mainly located in 2c position and the crystal structure is non-centrosymmetric.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Extracting conformational structure information of benzene molecules via laser-induced electron diffraction

Here, we have measured the angular distributions of high energy photoelectrons of benzene molecules generated by intense infrared femtosecond laser pulses. These electrons arise from the elastic collisions between the benzene ions with the previously tunnel-ionized electrons that have been driven back by the laser field. Theory shows that laser-free elastic differential cross sections (DCSs) can be extracted from these photoelectrons, and the DCS can be used to retrieve the bond lengths of gas-phase molecules similar to the conventional electron diffraction method. From our experimental results, we have obtained the C-C and C-H bond lengths of benzene with a spatial resolution of about 10 pm. Our results demonstrate that laser induced electron diffraction (LIED) experiments can be carried out with the present-day ultrafast intense lasers already. Looking ahead, with aligned or oriented molecules, more complete spatial information of the molecule can be obtained from LIED, and applying LIED to probe photo-excited molecules, a “molecular movie” of the dynamic system may be created with sub-A°ngstrom spatial and few-ten femtosecond temporal resolutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Communication: Electron diffraction of ferrocene in superfluid helium droplets

We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of the doping process. This method can be used for studies of nucleation processes in superfluid helium droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Spin transitions in La{sub 0.7} Ba{sub 0.3}CoO{sub 3} thin films revealed by combining Raman spectroscopy and X-ray diffraction

In cobaltite, the spin states transitions of Co{sup 3+/4+} ions govern the magnetic and electronic conduction properties. These transitions are strain-sensitive and can be varied using external parameters, including temperature, hydrostatic pressure, or chemical stresses through ionic substitutions. In this work, using temperature dependent Raman spectroscopy and X-ray diffraction, the epitaxial strain effects on both structural and vibrational properties of La{sub 0.7} Ba{sub 0.3} CoO{sub 3} (LBCO) cobaltite thin films are investigated. All Raman active phonon modes as well as the structure are found to be strongly affected. Both Raman modes and lattice parameter evolutions show temperature changes correlated with magnetic and electronic transitions properties. Combining Raman spectroscopy and X-ray diffraction appears as a powerful approach to probe the spin transition in thin film cobaltite. Our results provide insight into strong spin-charge-phonon coupling in LBCO thin film. This coupling manifests as vibrational transition with temperature in the Raman spectra near the ferromagnetic spin ordered transition at 220 K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A curved edge diffraction-utilized displacement sensor for spindle metrology

This paper presents a new dimensional metrological sensing principle for a curved surface based on curved edge diffraction. Spindle error measurement technology utilizes a cylindrical or spherical target artifact attached to the spindle with non-contact sensors, typically a capacitive sensor (CS) or an eddy current sensor, pointed at the artifact. However, these sensors are designed for flat surface measurement. Therefore, measuring a target with a curved surface causes error. This is due to electric fields behaving differently between a flat and curved surface than between two flat surfaces. In this study, a laser is positioned incident to the cylindrical surface of the spindle, and a photodetector collects the total field produced by the diffraction around the target surface. The proposed sensor was compared with a CS within a range of 500 μm. The discrepancy between the proposed sensor and CS was 0.017% of the full range. Its sensing performance showed a resolution of 14 nm and a drift of less than 10 nm for 7 min of operation. This sensor was also used to measure dynamic characteristics of the spindle system (natural frequency 181.8 Hz, damping ratio 0.042) and spindle runout (22.0 μm at 2000 rpm). The combined standard uncertainty was estimated as 85.9 nm under current experiment conditions. It is anticipated that this measurement technique allows for in situ health monitoring of a precision spindle system in an accurate, convenient, and low cost manner.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Structure of amorphous GeSe{sub 9} by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects

The structure of glassy GeSe{sub 9} was investigated by combining neutron diffraction with density-functional-theory-based first-principles molecular dynamics. In the simulations, three different models of N = 260 atoms were prepared by sampling three independent temporal trajectories, and the glass structures were found to be substantially different from those obtained for models in which smaller numbers of atoms or more rapid quench rates were employed. In particular, the overall network structure is based on Se{sub n} chains that are cross-linked by Ge(Se{sub 4}){sub 1/2} tetrahedra, where the latter are predominantly corner as opposed to edge sharing. The occurrence of a substantial proportion of Ge–Se–Se connections does not support a model in which the material is phase separated into Se-rich and GeSe{sub 2}-rich domains. The appearance of a first-sharp diffraction peak in the Bhatia-Thornton concentration-concentration partial structure factor does, however, indicate a non-uniform distribution of the Ge-centered structural motifs on an intermediate length scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Neutron diffraction study of quadruple perovskite SrCu{sub 3}Fe{sub 3}O{sub 12}

The magnetic structure of the quadruple perovskite SrCu{sub 3}Fe{sub 4}O{sub 12} is studied by means of neutron powder diffraction. The magnetic diffraction peaks are observed at low temperatures below 200 K. The Rietveld refinement result suggests an antiferromagnetic alignment of Fe spin magnetic moments for SrCu{sub 3}Fe{sub 4}O{sub 12} at low temperature. The refined magnetic moment at 4 K is ∼3.5 µ{sub B}, which is larger than that of that of CeCu{sub 3}Fe{sub 4}O{sub 12} (2.3 µ{sub B}). The increase in the magnetic moment is attributed to the larger Fe{sup 3+}:Fe{sup 5+} ratio for SrCu{sub 3}Fe{sub 4}O{sub 12} (∼4:1) compared with that of CeCu{sub 3}Fe{sub 4}O{sub 12} (∼3:1).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Quantifying point defects in Cu 2 ZnSn(S,Se) 4 thin films using resonant x-ray diffraction

Cu 2ZnSn(S,Se)4 is an interesting, earth abundant photovoltaic material, but has suffered from low open circuit voltage. To better understand the film structure, we have measured resonant x-ray diffraction across the Cu and Zn K-edges for the device quality thin films of Cu 2ZnSnS4 (8.6% efficiency) and Cu 2ZnSn(S,Se)4 (3.5% efficiency). This approach allows for the confirmation of the underlying kesterite structure and quantification of the concentration of point defects and vacancies on the Cu, Zn, and Sn sublattices. Rietveld refinement of powder diffraction data collected at multiple energies is used to determine that there exists a high level of Cu Zn and Zn Cu defects on the 2c and 2d Wyckoff positions. We observe a significantly lower concentration of Zn Sn defects and Cu or Zn vacancies.

14 SOLAR ENERGY↗