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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Diffracted X-ray tracking for monitoring intramolecular motion in individual protein molecules using broad band X-ray

Diffracted X-ray tracking (DXT) enables the tilting and twisting motions of single protein molecules to be monitored with micro- to milliradian resolution using a highly brilliant X-ray source with a wide energy bandwidth. We have developed a technique to monitor single molecules using gold nanocrystals attached to individual protein molecules using the BL28B2 beamline at SPring-8. In this paper we present the installation of a single toroidal X-ray mirror at BL28B2 to focus X-rays in an energy range of 10–20 keV (△E/E = 82% for an X-ray with a wide energy bandwidth). With this beamline we tracked diffraction spots from gold nanocrystals over a wide angle range than that using quasi-monochromatic X-rays. Application of the wide angle DXT technique to biological systems enabled us to observe the on-site motions of single protein molecules that have been functionalized in vivo. We further extend the capability of DXT by observing the fractional tilting and twisting motions of inner proteins under various conditions. As a proof of this methodology and to determine instrumental performance the intramolecular motions of a human serum albumin complex with 2-anthracenecarboxylic acid was investigated using the BL28B2 beamline. The random tilting and twisting intramolecular motions are shown to be directly linked to the movement of individual protein molecules in the buffer solution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

The impedance problem of wave diffraction by a strip with higher order boundary conditions

This work is devoted to analyse an impedance boundary-transmission problem for the Helmholtz equation originated by a problem of wave diffraction by an infinite strip with higher order imperfect boundary conditions. A constructive approach of operator relations is built, which allows a transparent interpretation of the problem in an operator theory framework. In particular, different types of operator relations are exhibited for different types of operators acting between Lebesgue and Sobolev spaces on a finite interval and the positive half-line. All this has consequences in the understanding of the structure of this type of problems. In particular, a Fredholm characterization of the problem is obtained in terms of the initial space order parameters. At the request of the author and the Proceedings Editor the above article has been replaced with a corrected version. The original PDF file supplied to AIP Publishing contained an error in the title of the article. The original title appeared as: 'The Impedance Problem of Wave Diffraction by a trip with Higher Order Boundary Conditions.' This article has been replaced and the title now appears correctly online. The corrected article was published on 8 November 2013.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Super-resolving quantum radar: Coherent-state sources with homodyne detection suffice to beat the diffraction limit

There has been much recent interest in quantum metrology for applications to sub-Raleigh ranging and remote sensing such as in quantum radar. For quantum radar, atmospheric absorption and diffraction rapidly degrades any actively transmitted quantum states of light, such as N00N states, so that for this high-loss regime the optimal strategy is to transmit coherent states of light, which suffer no worse loss than the linear Beer's law for classical radar attenuation, and which provide sensitivity at the shot-noise limit in the returned power. We show that coherent radar radiation sources, coupled with a quantum homodyne detection scheme, provide both longitudinal and angular super-resolution much below the Rayleigh diffraction limit, with sensitivity at shot-noise in terms of the detected photon power. Our approach provides a template for the development of a complete super-resolving quantum radar system with currently available technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Determination of lattice parameters, strain state and composition in semipolar III-nitrides using high resolution X-ray diffraction

In group-III-nitride heterostructures with semipolar or nonpolar crystal orientation, anisotropic lattice and thermal mismatch with the buffer or substrate lead to a complex distortion of the unit cells, e.g., by shearing of the lattice. This makes an accurate determination of lattice parameters, composition, and strain state under assumption of the hexagonal symmetry impossible. In this work, we present a procedure to accurately determine the lattice constants, strain state, and composition of semipolar heterostructures using high resolution X-ray diffraction. An analysis of the unit cell distortion shows that four independent lattice parameters are sufficient to describe this distortion. Assuming only small deviations from an ideal hexagonal structure, a linear expression for the interplanar distances d{sub hkl} is derived. It is used to determine the lattice parameters from high resolution X-ray diffraction 2ϑ-ω-scans of multiple on- and off-axis reflections via a weighted least-square fit. The strain and composition of ternary alloys are then evaluated by transforming the elastic parameters (using Hooke's law) from the natural crystal-fixed coordinate system to a layer-based system, given by the in-plane directions and the growth direction. We illustrate our procedure taking an example of (112{sup ¯}2) Al{sub κ}Ga{sub 1−κ}N epilayers with Al-contents over the entire composition range. We separately identify the in-plane and out-of-plane strains and discuss origins for the observed anisotropy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

High-resolution neutron diffraction study of CuNCN: New evidence of structure anomalies at low temperature

Copper carbodiimide (CuNCN) is the nitrogen-containing analogue of cupric oxide. Based on high-resolution neutron-diffraction data, CuNCN's lattice parameters are derived as a function of the temperature. In accordance with a recent synchrotron study, a clear trend in the cell parameter a is observed accompanying the changing magnetic behavior. With decreasing temperature, a slowly decreases to a minimum at ∼100 K after which it rises again. The same trend—albeit more pronounced—is observed for the c lattice parameter at ∼35 K. The herein presented neutron powder-diffraction data also support the conjectured sequence of transitions from the high-temperature one-dimensional resonating valence-bond (RVB) state to a transient two-dimensional RVB state and eventually, at lowest temperatures, into another two-dimensional RVB state, presumably the ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Imaging regenerating bone tissue based on neural networks applied to micro-diffraction measurements

We monitored bone regeneration in a tissue engineering approach. To visualize and understand the structural evolution, the samples have been measured by X-ray micro-diffraction. We find that bone tissue regeneration proceeds through a multi-step mechanism, each step providing a specific diffraction signal. The large amount of data have been classified according to their structure and associated to the process they came from combining Neural Networks algorithms with least square pattern analysis. In this way, we obtain spatial maps of the different components of the tissues visualizing the complex kinetic at the base of the bone regeneration.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Thermal neutron diffraction determination of the magnetic structure of EuCu{sub 2}Ge{sub 2}

The magnetic structure of EuCu{sub 2}Ge{sub 2} has been determined by flat-plate neutron powder diffraction. Two magnetic phases are present in the neutron diffraction pattern at 3.5 K. They have the same moment, within error, and a common transition temperature. Both {sup 151}Eu and {sup 153}Eu Mössbauer spectroscopy show that the two magnetic phases belong to the same crystallographic phase. Both phases can be modelled by planar helimagnetic structures: one with a propagation vector of [0.654(1), 0, 0], the other with a propagation vector of [0.410(1), 0.225(1), 0].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Hard X-ray nanoimaging method using local diffraction from metal wire

A simple hard X-ray imaging method achieving a high spatial resolution is proposed. Images are obtained by scanning a metal wire through the wave field to be measured and rotating the sample to collect data for back projection calculations; the local diffraction occurring at the edges of the metal wire operates as a narrow line probe. In-line holograms of a test sample were obtained with a spatial resolution of better than 100 nm. The potential high spatial resolution of this method is shown by calculations using diffraction theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Understanding the deformation mechanism of individual phases of a ZrTi-based bulk metallic glass matrix composite using in situ diffraction and imaging methods

The plasticity of a ZrTi-based bulk metallic glass composite consisting of glassy matrix and crystalline dendritic phase was studied in-situ under identical tensile loading conditions using scanning electron microscopy and synchrotron X-ray diffraction. A generic procedure was developed to separate the diffraction information of the crystalline phases away from that of the matrix and to precisely calculate the microscopic strains of the two phases at different macroscopic load steps. In this way, the time-evolved quantitative links between shear bands nucleation/propagation and the corresponding microscopic stress fields around them are established, providing more quantitative understanding on (1) how the shear bands are driven by the local stress field, and (2) the critical stresses required for the shear bands to nucleate in the crystalline phase, propagate through the crystalline/matrix interface, and finally into the matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Laser-assisted electron diffraction for femtosecond molecular imaging

We report the observation of laser-assisted electron diffraction (LAED) through the collision of 1 keV electrons with gas-phase CCl{sub 4} molecules in a femtosecond near-infrared laser field. In the angular distribution of the scattered electrons with the energy shifts of ±ℏω, we observed clear diffraction patterns which reflect the geometrical structure of the molecules at the moment of laser irradiation. Our results demonstrate that ultrafast nuclear dynamics of molecules can be probed by LAED with the high temporal (<10 fs) and spatial (∼0.01 Å) resolutions.

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

Reconstruction algorithm for limited-angle diffraction tomography for microwave NDE

Microwave tomography is becoming a popular imaging modality in nondestructive evaluation and medicine. A commonly encountered challenge in tomography in general is that in many practical situations a full 360° angular access is not possible and with limited access, the quality of reconstructed image is compromised. This paper presents an approach for reconstruction with limited angular access in diffraction tomography. The algorithm takes advantage of redundancies in image Fourier space data obtained from diffracted field measurements and couples it to an error minimization technique using a constrained total variation (CTV) minimization. Initial results from simulated data have been presented here to validate the approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Neutron diffraction studies and magnetism in Ti doped SrFeO{sub 3−δ} systems

The magnetic ground state of single phase tetragonal crystal structure with I4/mmm space group SrFe{sub 1−x}Ti{sub x}O{sub 3−δ} (x = 0.2 and 0.3) is investigated from 2 K to 300 K. Strong irreversibility is observed in zero-field-cooled (ZFC) and field-cooled DC magnetization curves. Arrott plots show the absence of spontaneous magnetization (M{sub S}) down to 2 K, ruling out the possibility of long range ferromagnetic order. Neutron diffraction measurements carried out at H = 0, 7 T (field cooled) at several temperatures above and below the T* (temperature at which M{sub ZFC}(T) is maximum) do not show any additional peaks and also no difference in intensity rules out, both the long range antiferromagnetic and ferromagnetic orders. Hence, the combined study of dc magnetization and neutron diffraction results reveals cluster spin glass behavior in SrFe{sub 1−x}Ti{sub x}O{sub 3−δ} (x = 0.2 and 0.3)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Measurement method for roll angular displacement with a high resolution by using diffraction gratings and a heterodyne interferometer

The roll angle measurement is difficult to be achieved directly using a typical commercial interferometer due to its low sensitivity in axial direction, where the axial direction is orthogonal to the plane of the roll angular displacement. A roll angle measurement method combined diffraction gratings with a laser heterodyne interferometer is discussed in this paper. The diffraction grating placed in the plane of a roll angular displacement and the interferometer arranged in the plane's orthogonal direction, constitute the measurement pattern for the roll angle with high resolution. The roll angular displacement, considered as the linear, can be tested precisely when the corresponding angle is very small. Using the proposed method, the angle roll measurement obtains the high resolution of 0.002{sup ″}. Experiment has proved its feasibility and practicability.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Note: Application of a pixel-array area detector to simultaneous single crystal x-ray diffraction and x-ray absorption spectroscopy measurements

X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) are two main x-ray techniques in synchrotron radiation facilities. In this Note, we present an experimental setup capable of performing simultaneous XRD and XAS measurements by the application of a pixel-array area detector. For XRD, the momentum transfer in specular diffraction was measured by scanning the X-ray energy with fixed incoming and outgoing x-ray angles. By selecting a small fixed region of the detector to collect the XRD signal, the rest of the area was available for collecting the x-ray fluorescence for XAS measurements. The simultaneous measurement of XRD and X-ray absorption near edge structure for Pr{sub 0.67}Sr{sub 0.33}MnO{sub 3} film was demonstrated as a proof of principle for future time-resolved pump-probe measurements. A static sample makes it easy to maintain an accurate overlap of the X-ray spot and laser pump beam.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Comparing ultrafast surface and bulk heating using time-resolved electron diffraction

From measurements of the transient Debye-Waller effect in Bismuth, we determine the buildup time of the random atomic motion resulting from the electronic relaxation after short pulse laser excitation. The surface sensitive reflection high energy electron diffraction and transmission electron diffraction yield a time constant of about 12 ps and 3 ps, respectively. The different energy transfer rates indicate relatively weak coupling between bulk and surface vibrational modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Exploring the behavior of molybdenum diboride (MoB{sub 2}): A high pressure x-ray diffraction study

Investigation of the equation of state of molybdenum diboride (MoB{sub 2}) has been performed to 24.1 GPa using synchrotron radiation angle-dispersive x-ray diffraction techniques (ADXRD) in a diamond anvil cell (DAC) at room temperature. Rietveld refinement of the X-ray powder diffraction data reveals that the rhombohedral structure MoB{sub 2} is stable up to 24.1 GPa. The ADXRD data yield a bulk modulus K{sub 0} = 314(11) GPa with a pressure derivative K{sub 0}{sup ′} = 6.4(1.5). The experimental data are discussed and compared to the results of first-principles calculations. In addition, the compressibility of the unit cell axes (a and c axes) of MoB{sub 2} demonstrates an anisotropic property with pressure increasing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Improved transmittance in metal-dielectric metamaterials using diffraction grating

In this Letter, we experimentally demonstrate the possibility to obtain an improved transmittance from metal-dielectric multilayer metamaterials at optical frequencies. In order to achieve this goal, a properly designed one-dimensional silver diffraction grating has been fabricated on top of two different multilayer structures such as Au/Al{sub 2}O{sub 3} and Au/SiO{sub 2}. It has been observed that the improved transmittance at various resonant wavelength bands is possible from the metal-dielectric metamaterials when it is coupled with a properly designed metallic diffraction grating. The obtained results can be expected to find variety of potential applications including high-efficiency solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2014

An atomic layer deposition chamber for in situ x-ray diffraction and scattering analysis

The crystal structure of thin films grown by atomic layer deposition (ALD) will determine important performance properties such as conductivity, breakdown voltage, and catalytic activity. We report the design of an atomic layer deposition chamber for in situ x-ray analysis that can be used to monitor changes to the crystal structural during ALD. The application of the chamber is demonstrated for Pt ALD on amorphous SiO{sub 2} and SrTiO{sub 3} (001) using synchrotron-based high resolution x-ray diffraction, grazing incidence x-ray diffraction, and grazing incidence small angle scattering.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗