Parameter-free extraction of EMCD from an energy-filtered diffraction datacube using multivariate curve resolution

International Nuclear Information System (INIS)

Muto, S.; Tatsumi, K.; Rusz, J.

2013-01-01

We present a parameter-free method of extraction of the electron magnetic circular dichroism spectra from energy-filtered diffraction patterns measured on a crystalline specimen. The method is based on a multivariate curve resolution technique. The main advantage of the proposed method is that it allows extraction of the magnetic signal regardless of the symmetry and orientation of the crystal, as long as there is a sufficiently strong magnetic component of the signal in the diffraction plane. This method essentially overcomes difficulties in extraction of the EMCD signal caused by complexity of dynamical diffraction effects. - Highlights: ► New method of extraction of EMCD signal using statistical methods (multivariate curve resolution). ► EMCD can be extracted quantitatively regardless of symmetry of crystal or its orientation. ► First principles simulation of EFDIF datacube, including dynamical diffraction effects

Diffractive optics and nanophotonics resolution below the diffraction limit

CERN Document Server

Minin, Igor

2016-01-01

In this book the authors present several examples of techniques used to overcome the Abby diffraction limit using flat and 3D diffractive optical elements, photonic crystal lenses, photonic jets, and surface plasmon diffractive optics. The structures discussed can be used in the microwave and THz range and also as scaled models for optical frequencies. Such nano-optical microlenses can be integrated, for example, into existing semiconductor heterostructure platforms for next-generation optoelectronic applications. Chapter 1 considers flat diffractive lenses and innovative 3D radiating structures including a conical millimeter-wave Fresnel zone plate (FZP) lens proposed for subwavelength focusing. In chapter 2 the subwavelength focusing properties of diffractive photonic crystal lenses are considered and it is shown that at least three different types of photonic crystal lens are possible.  With the aim of achieving subwavelength focusing, in chapter 3 an alternative mechanism to produce photonic jets at Tera...

Stimulated Emission Pumping Enablling Sub-Diffraction-Limited Spatial Resolution in CARS Microscopy

NARCIS (Netherlands)

Cleff, C.; Gross, P.; Fallnich, C.; Offerhaus, Herman L.; Herek, Jennifer Lynn; Kruse, K.; Beeker, W.P; Beeker, W.P.; Lee, Christopher James; Boller, Klaus J.; Dobner, S.

2012-01-01

Suppression of CARS signal generation is demonstrated by equalization of the ground and Raman states via a control state in a theoretical investigation. Using donut-shaped control light fields for population transfer results in sub-diffraction-limited spatial resolution CARS microscopy.

Innovative diffraction gratings for high-resolution resonant inelastic soft x-ray scattering spectroscopy

International Nuclear Information System (INIS)

Voronov, D.L.; Warwick, T.; Gullikson, E. M.; Salmassi, F.; Padmore, H. A.

2016-01-01

High-resolution Resonant Inelastic X-ray Scattering (RIXS) requires diffraction gratings with very exacting characteristics. The gratings should provide both very high dispersion and high efficiency which are conflicting requirements and extremely challenging to satisfy in the soft x-ray region for a traditional grazing incidence geometry. To achieve high dispersion one should increase the groove density of a grating; this however results in a diffraction angle beyond the critical angle range and results in drastic efficiency loss. The problem can be solved by use of multilayer coated blazed gratings (MBG). In this work we have investigated the diffraction characteristics of MBGs via numerical simulations and have developed a procedure for optimization of grating design for a multiplexed high resolution imaging spectrometer for RIXS spectroscopy to be built in sector 6 at the Advanced Light Source (ALS). We found that highest diffraction efficiency can be achieved for gratings optimized for 4"t"h or 5"t"h order operation. Fabrication of such gratings is an extremely challenging technological problem. We present a first experimental prototype of these gratings and report its performance. High order and high line density gratings have the potential to be a revolutionary new optical element that should have great impact in the area of soft x-ray RIXS.

Analyzing shear band formation with high resolution X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Pagan, Darren C.; Obstalecki, Mark; Park, Jun-Sang; Miller, Matthew P.

2018-04-01

Localization of crystallographic slip into shear bands during uniaxial compression of a copper single crystal is studied using very far-field high-energy diffraction microscopy (vff-HEDM). Diffracted intensity was collected in-situ as the crystal deformed using a unique mobile detector stage that provided access to multiple diffraction peaks with high-angular resolution. From the diffraction data, single crystal orientation pole figures (SCPFs) were generated and are used to track the evolution of the distribution of lattice orientation that develops as slip localizes. To aid the identification of 'signatures' of shear band formation and analyze the SCPF data, a model of slip-driven lattice reorientation within shear bands is introduced. Confidence is built in conclusions drawn from the SCPF data about the character of internal slip localization through comparisons with strain fields on the sample surface measured simultaneously using digital image correlation. From the diffraction data, we find that the active slip direction and slip plane are not directly aligned with the orientation of the shear bands that formed. In fact, by extracting the underlying slip system activity from the SCPF data, we show that intersecting shear bands measured on the surface of the sample arise from slip primarily on the same underlying single slip system. These new vff-HEDM results raise significant questions on the use of surface measurements for slip system activity estimation. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Double-diffractive processes in high-resolution missing-mass experiments at the Tevatron

International Nuclear Information System (INIS)

Khoze, V.A.; Martin, A.D.

2001-01-01

We evaluate, in a model-independent way, the signal-to-background ratio for Higgs→b anti b detection in exclusive double-diffractive events at the Tevatron and the LHC. For the missing-mass approach to be able to identify the Higgs boson, it will be necessary to use a central jet detector and to tag b quark jets. The signal is predicted to be very small at the Tevatron, but observable at the LHC. However we note that the background, that is double-diffractive dijet production, may serve as a unique gluon factory. We also give estimates for the double-diffractive production of χ c and χ b mesons at the Tevatron. We emphasize that a high-resolution missing-mass measurement, on its own, is insufficient to identify rare processes. (orig.)

Reaching (sub-)micrometer resolution of photo-immobilized proteins using diffracted light beams

DEFF Research Database (Denmark)

Skovsen, Esben; Neves Petersen, Teresa; Petersen, Steffen B.

2008-01-01

, with dimensions as small as a few micrometers. The ultimate size of the immobilized spots is dependent on the focal area of the UV beam. The technology involves light induced formation of free, reactive thiol groups in molecules containing aromatic residues nearby disulphide bridges. It is not only limited...... to immobilizing molecules according to conventional patterns like microarrays, as any bitmap motif can virtually be used a template for patterning. We now show that molecules (proteins) can be immobilized on a surface with any arbitrary pattern according to diffraction patterns of light. The pattern of photo......-immobilized proteins reproduces the diffraction pattern of light expected with the optical setup. Immobilising biomolecules according to diffraction patterns of light will allow achievement of smaller patterns with higher resolution. The flexibility of this new technology leads to any patterns of photo...

Borehole radar diffraction tomography

Energy Technology Data Exchange (ETDEWEB)

Cho, Seong Jun; Kim, Jung Ho; Yi, Myeong Jong; Chung, Seung Hwan; Lee, Hee Il [Korea Institute of Geology Mining and Materials, Taejon (Korea, Republic of)

1997-12-01

Tomography is widely used as imaging method for determining subsurface structure. Among the reconstruction algorithms for tomographic imaging, travel time tomography is almost applied to imaging subsurface. But isolated small body comparable with the wavelength could not be well recognized by travel time tomography. Other tomographic method are need to improve the imaging process. In the study of this year, diffraction tomography was investigated. The theory for diffraction tomography is based on the 1st-order Born approximation. Multisource holography, which is similar to Kirchihoff migration, is compared with diffraction tomography. To improve 1st-order Born diffraction tomography, two kinds of filter designed from multisource holography and 2-D green function, respectively, applied on the reconstructed image. The algorithm was tested for the numerical modeling data of which algorithm consists of the analytic computation of radar signal in transmitter and receiver regions and 2-D FDM scheme for the propagation of electromagnetic waves in media. The air-filled cavity model to show a typical diffraction pattern was applied to diffraction tomography imaging, and the result shows accurate location and area of cavity. But the calculated object function is not well matched the real object function, because the air-filled cavity model is not satisfied week scattered inhomogeneity for 1st born approximation, and the error term is included in estimating source wavelet from received signals. In spite of the object function error, the diffraction tomography assist for interpretation of subsurface as if conducted with travel time tomography. And the fracture model was tested, 1st born diffraction tomographic image is poor because of limited view angle coverage and violation of week scatter assumption, but the filtered image resolve the fracture somewhat better. The tested diffraction tomography image confirms effectiveness of filter for enhancing resolution. (author). 14

Ultrashort and coherent single-electron pulses for diffraction at ultimate resolutions

International Nuclear Information System (INIS)

Kirchner, Friedrich Oscar

2013-01-01

Ultrafast electron diffraction is a powerful tool for studying structural dynamics with femtosecond temporal and sub-aangstroem spatial resolutions. It benefits from the high scattering cross-sections of electrons compared X-rays and allows the examination of thin samples, surfaces and gases. One of the main challenges in ultrafast electron diffraction is the generation of electron pulses with a short duration and a large transverse coherence. The former limits the temporal resolution of the experiment while the latter determines the maximum size of the scattering structures that can be studied. In this work, we strive to push the limits of electron diffraction towards higher temporal and spatial resolutions. The decisive step in our approach is to eliminate all detrimental effects caused by Coulomb repulsion between the electrons by reducing the number of electrons per pulse to one. In this situation, the electrons' longitudinal and transverse velocity distributions are determined solely by the photoemission process. By reducing the electron source size on the photocathode, we make use of the small transverse velocity spread to produce electron pulses with a transverse coherence length of 20 nm, which is about an order of magnitude larger than the reported values for comparable experiments. The energy distribution of an ensemble of single-electron pulses from a photoemission source is directly linked to the mismatch between the photon energy and the cathode's work function. This excess energy can be reduced by using a photon energy close to the material's work function. Using a tunable source of ultraviolet pulses, we demonstrate the reduction of the velocity spread of the electrons, resulting in a shorter duration of the electron pulses. The reduced electron pulse durations achieved by a tunable excitation or by other approaches require new characterization techniques for electron pulses. We developed a novel method for the characterization of electron pulses at

On the optimum resolution of transmission-electron backscattered diffraction (t-EBSD)

Energy Technology Data Exchange (ETDEWEB)

Bremen, R. van; Ribas Gomes, D.; Jeer, L.T.H. de; Ocelík, V., E-mail: v.ocelik@rug.nl; De Hosson, J.Th.M.

2016-01-15

The work presented aims at determining the optimum physical resolution of the transmission-electron backscattered diffraction (t-EBSD) technique. The resolution depends critically on intrinsic factors such as the density, atomic number and thickness of the specimen but also on the extrinsic experimental set-up of the electron beam voltage, specimen tilt and detector position. In the present study, the so-called physical resolution of a typical t-EBSD set-up was determined with the use of Monte Carlo simulations and confronted to experimental findings. In the case of a thin Au film of 20 nm, the best resolution obtained was 9 nm whereas for a 100 nm Au film the best resolution was 66 nm. The precise dependence of resolution on thickness was found to vary differently depending on the specific elements involved. This means that the resolution of each specimen should be determined individually. Experimentally the median probe size of the t-EBSD for a 140 nm thick AuAg specimen was measured to be 87 nm. The first and third quartiles of the probe size measurements were found to be 60 nm and 118 nm. Simulation of this specimen resulted in a resolution of 94 nm which fits between these quartiles. - Highlights: • Intrinsic and extrinsic factors affecting resolution of t-EBSD are determined and characterized. • Distinction between resolutions of transmitted and detected electrons is determined. • The simulated results are confirmed experimentally on 140 nm thick AuAg foil.

Diffraction. Powder, amorphous, liquid

International Nuclear Information System (INIS)

Sosnowska, I.M.

1999-01-01

Neutron powder diffraction is a unique tool to observe all possible diffraction effects appearing in crystal. High-resolution neutron diffractometers have to be used in this study. Analysis of the magnetic structure of polycrystalline materials requires the use of high-resolution neutron diffraction in the range of large interplanar distances. As distinguished from the double axis diffractometers (DAS), which show high resolution only at small interplanar distances, TOF (time-of-flight) diffractometry offers the best resolution at large interplanar distances. (K.A.)

High-resolution X-ray diffraction with no sample preparation.

Science.gov (United States)

Hansford, G M; Turner, S M R; Degryse, P; Shortland, A J

2017-07-01

It is shown that energy-dispersive X-ray diffraction (EDXRD) implemented in a back-reflection geometry is extremely insensitive to sample morphology and positioning even in a high-resolution configuration. This technique allows high-quality X-ray diffraction analysis of samples that have not been prepared and is therefore completely non-destructive. The experimental technique was implemented on beamline B18 at the Diamond Light Source synchrotron in Oxfordshire, UK. The majority of the experiments in this study were performed with pre-characterized geological materials in order to elucidate the characteristics of this novel technique and to develop the analysis methods. Results are presented that demonstrate phase identification, the derivation of precise unit-cell parameters and extraction of microstructural information on unprepared rock samples and other sample types. A particular highlight was the identification of a specific polytype of a muscovite in an unprepared mica schist sample, avoiding the time-consuming and difficult preparation steps normally required to make this type of identification. The technique was also demonstrated in application to a small number of fossil and archaeological samples. Back-reflection EDXRD implemented in a high-resolution configuration shows great potential in the crystallographic analysis of cultural heritage artefacts for the purposes of scientific research such as provenancing, as well as contributing to the formulation of conservation strategies. Possibilities for moving the technique from the synchrotron into museums are discussed. The avoidance of the need to extract samples from high-value and rare objects is a highly significant advantage, applicable also in other potential research areas such as palaeontology, and the study of meteorites and planetary materials brought to Earth by sample-return missions.

Improving spatial resolution in quantum imaging beyond the Rayleigh diffraction limit using multiphoton W entangled states

Energy Technology Data Exchange (ETDEWEB)

Wen Jianming, E-mail: jianming.wen@gmail.co [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Department of Physics, University of Arkansas, Fayetteville, AR 72701 (United States); Du, Shengwang [Department of Physics, Hong Kong University of Science and Technology, Clear Bay (Hong Kong); Xiao Min [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Department of Physics, University of Arkansas, Fayetteville, AR 72701 (United States); School of Modern Engineering and Applied Science, Nanjing University, Nanjing 210093 (China)

2010-08-23

Using multiphoton entangled states, we demonstrate improving spatial imaging resolution beyond the Rayleigh diffraction limit in the quantum imaging process. In particular, we examine resolution enhancement using triphoton W state and a factor of 2 is achievable as with the use of the Greenberger-Horne-Zeilinger state, compared to using a classical-light source.

Beamline I11 at Diamond: a new instrument for high resolution powder diffraction.

Science.gov (United States)

Thompson, S P; Parker, J E; Potter, J; Hill, T P; Birt, A; Cobb, T M; Yuan, F; Tang, C C

2009-07-01

The performance characteristics of a new synchrotron x-ray powder diffraction beamline (I11) at the Diamond Light Source are presented. Using an in-vacuum undulator for photon production and deploying simple x-ray optics centered around a double-crystal monochromator and a pair of harmonic rejection mirrors, a high brightness and low bandpass x-ray beam is delivered at the sample. To provide fast data collection, 45 Si(111) analyzing crystals and detectors are installed onto a large and high precision diffractometer. High resolution powder diffraction data from standard reference materials of Si, alpha-quartz, and LaB6 are used to characterize instrumental performance.

A super-high angular resolution principle for coded-mask X-ray imaging beyond the diffraction limit of a single pinhole

International Nuclear Information System (INIS)

Zhang Chen; Zhang Shuangnan

2009-01-01

High angular resolution X-ray imaging is always useful in astrophysics and solar physics. In principle, it can be performed by using coded-mask imaging with a very long mask-detector distance. Previously, the diffraction-interference effect was thought to degrade coded-mask imaging performance dramatically at the low energy end with its very long mask-detector distance. The diffraction-interference effect is described with numerical calculations, and the diffraction-interference cross correlation reconstruction method (DICC) is developed in order to overcome the imaging performance degradation. Based on the DICC, a super-high angular resolution principle (SHARP) for coded-mask X-ray imaging is proposed. The feasibility of coded mask imaging beyond the diffraction limit of a single pinhole is demonstrated with simulations. With the specification that the mask element size is 50 x 50 μm 2 and the mask-detector distance is 50 m, the achieved angular resolution is 0.32 arcsec above about 10 keV and 0.36 arcsec at 1.24 keV (λ = 1 nm), where diffraction cannot be neglected. The on-axis source location accuracy is better than 0.02 arcsec. Potential applications for solar observations and wide-field X-ray monitors are also briefly discussed. (invited reviews)

Classifying and assembling two-dimensional X-ray laser diffraction patterns of a single particle to reconstruct the three-dimensional diffraction intensity function: resolution limit due to the quantum noise

International Nuclear Information System (INIS)

Tokuhisa, Atsushi; Taka, Junichiro; Kono, Hidetoshi; Go, Nobuhiro

2012-01-01

A new algorithm is developed for reconstructing the high-resolution three-dimensional diffraction intensity function of a globular biological macromolecule from many quantum-noise-limited two-dimensional X-ray laser diffraction patterns, each for an unknown orientation. The structural resolution is expressed as a function of the incident X-ray intensity and quantities characterizing the target molecule. A new two-step algorithm is developed for reconstructing the three-dimensional diffraction intensity of a globular biological macromolecule from many experimentally measured quantum-noise-limited two-dimensional X-ray laser diffraction patterns, each for an unknown orientation. The first step is classification of the two-dimensional patterns into groups according to the similarity of direction of the incident X-rays with respect to the molecule and an averaging within each group to reduce the noise. The second step is detection of common intersecting circles between the signal-enhanced two-dimensional patterns to identify their mutual location in the three-dimensional wavenumber space. The newly developed algorithm enables one to detect a signal for classification in noisy experimental photon-count data with as low as ∼0.1 photons per effective pixel. The wavenumber of such a limiting pixel determines the attainable structural resolution. From this fact, the resolution limit due to the quantum noise attainable by this new method of analysis as well as two important experimental parameters, the number of two-dimensional patterns to be measured (the load for the detector) and the number of pairs of two-dimensional patterns to be analysed (the load for the computer), are derived as a function of the incident X-ray intensity and quantities characterizing the target molecule

A high-resolution neutron powder diffraction study of neodymium doping in barium cerate

DEFF Research Database (Denmark)

Knight, K.S.; Bonanos, N.

1995-01-01

High-resolution neutron powder diffraction data have been collected on 6 perovskites of composition BaCe1-xNdxO3-x/(2), with 0 less than or equal to x less than or equal to 0.2, in which structural phase transitions Pmcn-->P4/mbm at x=0.05, and P4/mbm-->Pm3m at x=0.1, were inferred from a recent ...

Application of new synchrotron powder diffraction techniques to anomalous scattering from glasses

International Nuclear Information System (INIS)

Beno, M.A.; Knapp, G.S.; Armand, P.; Price, D.L.; Saboungi, M.

1995-01-01

We have applied two synchrotron powder diffraction techniques to the measurement of high quality anomalous scattering diffraction data for amorphous materials. One of these methods, which uses a curved perfect crystal analyzer to simultaneously diffract multiple powder lines into a position sensitive detector has been shown to possess high resolution, low background, and very high counting rates. This data measurement technique provides excellent energy resolution while minimizing systematic errors resulting from detector nonlinearity. Anomalous scattering data for a Cesium Germanate glass collected using this technique will be presented. The second powder diffraction technique uses a flat analyzer crystal to deflect multiple diffraction lines out of the equatorial plane. Calculations show that this method possesses sufficient energy resolution for anomalous scattering experiments when a perfect crystal analyzer is used and is experimentally much simpler. Future studies will make use of a rapid sample changer allowing the scattering from the sample and a standard material (a material not containing the anomalous scatterer) to be measured alternately at each angle, reducing systematic errors due to beam instability or sample misalignment

A high resolution position sensitive X-ray MWPC for small angle X-ray diffraction

International Nuclear Information System (INIS)

Bateman, J.E.; Connolly, J.F.; Stephenson, R.; Tappern, G.J.

1981-02-01

A small sealed-off delay line readout MWPC X-ray detector has been designed and built for small angle X-ray diffraction applications. Featuring a sensitive area of 100 mm x 25 mm it yields a spatial resolution of 0.13 mm (standard deviation) with a high rate capability and good quantum efficiency for copper K radiation. (author)

Linear mixing model applied to coarse resolution satellite data

Science.gov (United States)

Holben, Brent N.; Shimabukuro, Yosio E.

1992-01-01

A linear mixing model typically applied to high resolution data such as Airborne Visible/Infrared Imaging Spectrometer, Thematic Mapper, and Multispectral Scanner System is applied to the NOAA Advanced Very High Resolution Radiometer coarse resolution satellite data. The reflective portion extracted from the middle IR channel 3 (3.55 - 3.93 microns) is used with channels 1 (0.58 - 0.68 microns) and 2 (0.725 - 1.1 microns) to run the Constrained Least Squares model to generate fraction images for an area in the west central region of Brazil. The derived fraction images are compared with an unsupervised classification and the fraction images derived from Landsat TM data acquired in the same day. In addition, the relationship betweeen these fraction images and the well known NDVI images are presented. The results show the great potential of the unmixing techniques for applying to coarse resolution data for global studies.

Analysis of the diffraction effects for a multi-view autostereoscopic three-dimensional display system based on shutter parallax barriers with full resolution

Science.gov (United States)

Meng, Yang; Yu, Zhongyuan; Jia, Fangda; Zhang, Chunyu; Wang, Ye; Liu, Yumin; Ye, Han; Chen, Laurence Lujun

2017-10-01

A multi-view autostereoscopic three-dimensional (3D) system is built by using a 2D display screen and a customized parallax-barrier shutter (PBS) screen. The shutter screen is controlled dynamically by address driving matrix circuit and it is placed in front of the display screen at a certain location. The system could achieve densest viewpoints due to its specially optical and geometric design which is based on concept of "eye space". The resolution of 3D imaging is not reduced compared to 2D mode by using limited time division multiplexing technology. The diffraction effects may play an important role in 3D display imaging quality, especially when applied to small screen, such as iPhone screen etc. For small screen, diffraction effects may contribute crosstalk between binocular views, image brightness uniformity etc. Therefore, diffraction effects are analyzed and considered in a one-dimensional shutter screen model of the 3D display, in which the numerical simulation of light from display pixels on display screen through parallax barrier slits to each viewing zone in eye space, is performed. The simulation results provide guidance for criteria screen size over which the impact of diffraction effects are ignorable, and below which diffraction effects must be taken into account. Finally, the simulation results are compared to the corresponding experimental measurements and observation with discussion.

One dimensional detector for X-ray diffraction with superior energy resolution based on silicon strip detector technology

International Nuclear Information System (INIS)

Dąbrowski, W; Fiutowski, T; Wiącek, P; Fink, J; Krane, H-G

2012-01-01

1-D position sensitive X-ray detectors based on silicon strip detector technology have become standard instruments in X-ray diffraction and are available from several vendors. As these devices have been proven to be very useful and efficient further improvement of their performance is investigated. The silicon strip detectors in X-ray diffraction are primarily used as counting devices and the requirements concerning the spatial resolution, dynamic range and count rate capability are of primary importance. However, there are several experimental issues in which a good energy resolution is important. The energy resolution of silicon strip detectors is limited by the charge sharing effects in the sensor as well as by noise of the front-end electronics. The charge sharing effects in the sensor and various aspects of the electronics, including the baseline fluctuations, which affect the energy resolution, have been analyzed in detail and a new readout concept has been developed. A front-end ASIC with a novel scheme of baseline restoration and novel interstrip logic circuitry has been designed. The interstrip logic is used to reject the events resulting in significant charge sharing between neighboring strips. At the expense of rejecting small fraction of photons entering the detector one can obtain single strip energy spectra almost free of charge sharing effects. In the paper we present the design considerations and measured performance of the detector being developed. The electronic noise of the system at room temperature is typically of the order of 70 el rms for 17 mm long silicon strips and a peaking time of about 1 μs. The energy resolution of 600 eV FWHM has been achieved including the non-reducible charge sharing effects and the electronic noise. This energy resolution is sufficient to address a common problem in X-ray diffraction, i.e. electronic suppression of the fluorescence radiation from samples containing iron or cobalt while irradiated with 8.04 ke

Strain mapping for the semiconductor industry by dark-field electron holography and nanobeam electron diffraction with nm resolution

International Nuclear Information System (INIS)

Cooper, David; Hartmann, Jean Michel; Carron, Veronique; Béché, Armand; Rouvière, Jean-Luc

2010-01-01

There is a requirement of the semiconductor industry to measure strain in semiconductor devices with nm-scale resolution. Here we show that dark-field electron holography and nanobeam electron diffraction (NBED) are both complementary techniques that can be used to determine the strain in these devices. We show two-dimensional strain maps acquired by dark holography and line profiles that have been acquired by NBED of recessed SiGe sources and drains with a variety of different gate lengths and Ge concentrations. We have also used dark-field electron holography to measure the evolution in strain during the silicidation process, showing that this can reduce the applied uniaxial compressive strain in the conduction channel by up to a factor of 3

Application of super-resolution optical microscopy in biology

International Nuclear Information System (INIS)

Mao Xiuhai; Du Jiancong; Huang Qing; Fan Chunhai; Deng Suhui

2013-01-01

Background: A noninvasive, real-time far-field optical microscopy is needed to study the dynamic function inside cells and proteins. However, the resolution limit of traditional optical microscope is about 200 nm due to the diffraction limit of light. So, it's hard to directly observe the subcellular structures. Over the past several years of microscopy development, the diffraction limit of fluorescence microscopy has been overcome and its resolution limit is about tens of nanometers. Methods: To overcome the diffraction limit of light, many super-resolution fluoresce microscopes, including stimulated emission of depletion microscopy (STED), photoactivation localization microscopy (PALM) and stochastic optical reconstruction microscopy (STORM), have been developed. Conclusions: These methods have been applied in cell biology, microbiology and neurobiology, and the technology of super-resolution provides a new insight into the life science. (authors)

High resolution x-ray diffraction analysis of annealed low-temperature gallium arsenide

Science.gov (United States)

Matyi, R. J.; Melloch, M. R.; Woodall, J. M.

1992-05-01

High resolution x-ray diffraction methods have been used to characterize GaAs grown at low substrate temperatures by molecular beam epitaxy and to examine the effects of post-growth annealing on the structure of the layers. Double crystal rocking curves from the as-deposited epitaxial layer show well-defined interference fringes, indicating a high level of structural perfection despite the presence of excess arsenic. Annealing at temperatures from 700 to 900 °C resulted in a decrease in the perpendicular lattice mismatch between the GaAs grown at low temperature and the substrate from 0.133% to 0.016% and a decrease (but not total elimination) of the visibility of the interference fringes. Triple-crystal diffraction scans around the 004 point in reciprocal space exhibited an increase in the apparent mosaic spread of the epitaxial layer with increasing anneal temperature. The observations are explained in terms of the growth of arsenic precipitates in the epitaxial layer.

Direct integration of the S-matrix applied to rigorous diffraction

International Nuclear Information System (INIS)

Iff, W; Lindlein, N; Tishchenko, A V

2014-01-01

A novel Fourier method for rigorous diffraction computation at periodic structures is presented. The procedure is based on a differential equation for the S-matrix, which allows direct integration of the S-matrix blocks. This results in a new method in Fourier space, which can be considered as a numerically stable and well-parallelizable alternative to the conventional differential method based on T-matrix integration and subsequent conversions from the T-matrices to S-matrix blocks. Integration of the novel differential equation in implicit manner is expounded. The applicability of the new method is shown on the basis of 1D periodic structures. It is clear however, that the new technique can also be applied to arbitrary 2D periodic or periodized structures. The complexity of the new method is O(N 3 ) similar to the conventional differential method with N being the number of diffraction orders. (fast track communication)

High resolution electron backscatter diffraction (EBSD) data from calcite biominerals in recent gastropod shells.

Science.gov (United States)

Pérez-Huerta, Alberto; Dauphin, Yannicke; Cuif, Jean Pierre; Cusack, Maggie

2011-04-01

Electron backscatter diffraction (EBSD) is a microscopy technique that reveals in situ crystallographic information. Currently, it is widely used for the characterization of geological materials and in studies of biomineralization. Here, we analyze high resolution EBSD data from biogenic calcite in two mollusk taxa, Concholepas and Haliotis, previously used in the understanding of complex biomineralization and paleoenvironmental studies. Results indicate that Concholepas has less ordered prisms than in Haliotis, and that in Concholepas the level of order is not homogenous in different areas of the shell. Overall, the usefulness of data integration obtained from diffraction intensity and crystallographic orientation maps, and corresponding pole figures, is discussed as well as its application to similar studies. © 2010 Elsevier Ltd. All rights reserved.

Stimulated-emission pumping enabling sub-diffraction-limited spatial resolution in coherent anti-Stokes Raman scattering microscopy

NARCIS (Netherlands)

Cleff, C.; Gross, P.; Fallnich, C.; Offerhaus, Herman L.; Herek, Jennifer Lynn; Kruse, K.; Beeker, W.P.; Lee, Christopher James; Boller, Klaus J.

2013-01-01

We present a theoretical investigation of stimulated emission pumping to achieve sub-diffraction-limited spatial resolution in coherent anti-Stokes Raman scattering (CARS) microscopy. A pair of control light fields is used to prepopulate the Raman state involved in the CARS process prior to the CARS

MacDUST - a powder diffraction package developed for the ''ADONE'' high resolution diffraction station

International Nuclear Information System (INIS)

Burattini, E.; Cappuccio, G.; Maistrelli, P.; Simeoni, S.

1993-01-01

A High Resolution Powder Diffraction Station (PO.DI.STA.) was installed at the beginning of 1991 on the ADONE-Wiggler magnet beam line. The station and the first powder diffraction spectra, collected with synchrotron radiation, were presented at the EPDIC-1 Conference. More details can also be found in. For this station, a very sophisticated software package ''MacDUST'' has been developed on an Apple Macintosh computer, using the Microsoft QuickBASIC compiler. It allows very easy and comfortable operations by means of a graphical user interface environment, typical of the Macintosh system. The package consists of five major programs. The main program, MacDIFF, performs all the graphic operations on the experimental data, including zooming, overlapping, cursor scanning and editing of patterns, control of output operations to printers and HPGL plotters. It also includes several analysis routines for data smoothing, a first derivative peak search algorithm, two background subtraction routines and two profile fitting programs: one based on the simplex method and the other on the Marquardt modification of a least-square algorithm. MacPDF and MacRIC are both dedicated to phase identification. The first program is an archive manager for searching, displaying and printing phase records; MacRIC is a graphic aided search-match program based on the Hanawalt algorithm. Mac3-DIM is a plot program, useful, e.g., for representing kinetics three dimensionally. MacRIET is a Macintosh version of the well known Rietveld refinement program. This version, besides conventional structure refinements, also allows the determination of micro structural parameters, i.e. micro strain and crystallite size. The program can also be used to simulate a pattern, once the structure of the compound is known. Taking advantage of the very intuitive Macintosh graphic user interface, through dialog and alert boxes, the program allows straightforward introduction and modification of the structure

Three-dimensional live microscopy beyond the diffraction limit

International Nuclear Information System (INIS)

Fiolka, Reto

2013-01-01

In fluorescence microscopy it has become possible to fundamentally overcome the diffraction limited resolution in all three spatial dimensions. However, to have the most impact in biological sciences, new optical microscopy techniques need to be compatible with live cell imaging: image acquisition has to be fast enough to capture cellular dynamics at the new resolution limit while light exposure needs to be minimized to prevent photo-toxic effects. With increasing spatial resolution, these requirements become more difficult to meet, even more so when volumetric imaging is performed. In this review, techniques that have been successfully applied to three-dimensional, super-resolution live microscopy are presented and their relative strengths and weaknesses are discussed. (special issue article)

The analysis of powder diffraction data

International Nuclear Information System (INIS)

David, W.I.F.; Harrison, W.T.A.

1986-01-01

The paper reviews neutron powder diffraction data analysis, with emphasis on the structural aspects of powder diffraction and the future possibilities afforded by the latest generation of very high resolution neutron and x-ray powder diffractometers. Traditional x-ray powder diffraction techniques are outlined. Structural studies by powder diffraction are discussed with respect to the Rietveld method, and a case study in the Rietveld refinement method and developments of the Rietveld method are described. Finally studies using high resolution powder diffraction at the Spallation Neutron Source, ISIS at the Rutherford Appleton Laboratory are summarized. (U.K.)

Diffraction limit of refractive compound lens

International Nuclear Information System (INIS)

Kolchevsky, N.N.; Petrov, P.V.

2015-01-01

A compound X-ray and neutron lenses is an array of lenses with a common axis. The resolution limited by aberration and by diffraction. Diffraction limit comes from theory based on absorption aperture of the compound refractive lenses. Beam passing through transparent lenses form Airy pattern. Results of calculation of diffraction resolution limit for non-transparent X-ray and neutron lenses are discussed. (authors)

Improving the diffraction of apoA-IV crystals through extreme dehydration

International Nuclear Information System (INIS)

Deng, Xiaodi; Davidson, W. Sean; Thompson, Thomas B.

2011-01-01

Apolipoprotein A-IV crystals consisted of a long unit-cell edge (540 Å) with a high mosaic spread, making them intractable for X-ray diffraction analysis. Extreme dehydration in 60% PEG 3350 was utilized as a post-crystallization treatment as well a screening method to significantly sharpen the mosaic spread and increase the overall resolution of diffraction. Apolipoproteins are the protein component of high-density lipoproteins (HDL), which are necessary for mobilizing lipid-like molecules throughout the body. Apolipoproteins undergo self-association, especially at higher concentrations, making them difficult to crystallize. Here, the crystallization and diffraction of the core fragment of apolipoprotein A-IV (apoA-IV), consisting of residues 64–335, is presented. ApoA-IV 64–335 crystallized readily in a variety of hexagonal (P6) morphologies with similar unit-cell parameters, all containing a long axis of nearly 550 Å in length. Preliminary diffraction experiments with the different crystal morphologies all resulted in limited streaky diffraction to 3.5 Å resolution. Crystal dehydration was applied to the different morphologies with variable success and was also used as a quality indicator of crystal-growth conditions. The results show that the morphologies that withstood the most extreme dehydration conditions showed the greatest improvement in diffraction. One morphology in particular was able to withstand dehydration in 60% PEG 3350 for over 12 h, which resulted in well defined intensities to 2.7 Å resolution. These results suggest that the approach of integrating dehydration with variation in crystal-growth conditions might be a general technique to optimize diffraction

Birefringent coherent diffraction imaging

Science.gov (United States)

Karpov, Dmitry; dos Santos Rolo, Tomy; Rich, Hannah; Kryuchkov, Yuriy; Kiefer, Boris; Fohtung, E.

2016-10-01

Directional dependence of the index of refraction contains a wealth of information about anisotropic optical properties in semiconducting and insulating materials. Here we present a novel high-resolution lens-less technique that uses birefringence as a contrast mechanism to map the index of refraction and dielectric permittivity in optically anisotropic materials. We applied this approach successfully to a liquid crystal polymer film using polarized light from helium neon laser. This approach is scalable to imaging with diffraction-limited resolution, a prospect rapidly becoming a reality in view of emergent brilliant X-ray sources. Applications of this novel imaging technique are in disruptive technologies, including novel electronic devices, in which both charge and spin carry information as in multiferroic materials and photonic materials such as light modulators and optical storage.

Super-resolution biomolecular crystallography with low-resolution data.

Science.gov (United States)

Schröder, Gunnar F; Levitt, Michael; Brunger, Axel T

2010-04-22

X-ray diffraction plays a pivotal role in the understanding of biological systems by revealing atomic structures of proteins, nucleic acids and their complexes, with much recent interest in very large assemblies like the ribosome. As crystals of such large assemblies often diffract weakly (resolution worse than 4 A), we need methods that work at such low resolution. In macromolecular assemblies, some of the components may be known at high resolution, whereas others are unknown: current refinement methods fail as they require a high-resolution starting structure for the entire complex. Determining the structure of such complexes, which are often of key biological importance, should be possible in principle as the number of independent diffraction intensities at a resolution better than 5 A generally exceeds the number of degrees of freedom. Here we introduce a method that adds specific information from known homologous structures but allows global and local deformations of these homology models. Our approach uses the observation that local protein structure tends to be conserved as sequence and function evolve. Cross-validation with R(free) (the free R-factor) determines the optimum deformation and influence of the homology model. For test cases at 3.5-5 A resolution with known structures at high resolution, our method gives significant improvements over conventional refinement in the model as monitored by coordinate accuracy, the definition of secondary structure and the quality of electron density maps. For re-refinements of a representative set of 19 low-resolution crystal structures from the Protein Data Bank, we find similar improvements. Thus, a structure derived from low-resolution diffraction data can have quality similar to a high-resolution structure. Our method is applicable to the study of weakly diffracting crystals using X-ray micro-diffraction as well as data from new X-ray light sources. Use of homology information is not restricted to X

Phase separation and magnetic ordering studied by high resolution neutron diffraction

International Nuclear Information System (INIS)

Caspi, E.N.; Melamud, M.; Pinto, H.; Shaked, H.; Chmaissem, O.; Jorgensen, J.D.; Short, S.

1999-01-01

Complete text of publication follows. In a previous work on the (U 1-x Nd x )Co 2 Ge 2 system, two magnetic transitions were observed in the temperature dependencies of the magnetic susceptibility and in the intensity of the magnetic reflections in neutron diffraction [1]. Because of insufficient resolution, it was not clear whether this is due to clustering or phase separation. In both cases the U-rich regions are expected to order magnetically at higher temperature than the U-poor ones, resulting in two magnetic transitions. In order to resolve this question a temperature dependent TOF neutron diffraction of the x = 0.25 compound has been performed on the SEPD at Argonne's IPNS [2]. The temperature dependent diffractograms were refined by the Rietveld method. It was found that the compound separates into two phases: x = 0.4 (55 wt%) and x = 0.1 (45 wt%). The temperature dependence of the magnetic moment was obtained for each phase, with the transition temperatures: T N (x=0.4) = 130 K, and T N (x=0.1) = 165 K. (author) [1] E. Caspi et al., Phys. Rev. B, 57 (198) 449.; [2] J.D. Jorgensen et al., J. Appl. Cryst. 22 (1989) 321

Competing orbital ordering in RVO3 compounds: High-resolution x-ray diffraction and thermal expansion

International Nuclear Information System (INIS)

Sage, M. H.; Blake, G. R.; Palstra, T. T. M.; Marquina, C.

2007-01-01

We report evidence for the phase coexistence of orbital orderings of different symmetry in RVO 3 compounds with intermediate-size rare earths. Through a study by high-resolution x-ray powder diffraction and thermal expansion, we show that the competing orbital orderings are associated with the magnitude of the VO 6 octahedral tilting and magnetic exchange striction in these compounds and that the phase-separated state is stabilized by lattice strains

Human tRNAGly acceptor-stem microhelix: crystallization and preliminary X-ray diffraction analysis at 1.2 Å resolution

International Nuclear Information System (INIS)

Förster, Charlotte; Szkaradkiewicz, Karol; Perbandt, Markus; Brauer, Arnd B. E.; Borowski, Tordis; Fürste, Jens P.; Betzel, Christian; Erdmann, Volker A.

2007-01-01

The human tRNA Gly acceptor-stem microhelix was crystallized and preliminary X-ray diffraction analysis revealed diffraction to a resolution of up to 1.2 Å. The major dissimilarities between the eukaryotic/archaebacterial-type and eubacterial-type glycyl-tRNA synthetase systems (GlyRS; class II aminoacyl-tRNA synthetases) represent an intriguing example of evolutionarily divergent solutions to similar biological functions. The differences in the identity elements of the respective tRNA Gly systems are located within the acceptor stem and include the discriminator base U73. In the present work, the human tRNA Gly acceptor-stem microhelix was crystallized in an attempt to analyze the structural features that govern the correct recognition of tRNA Gly by the eukaryotic/archaebacterial-type glycyl-tRNA synthetase. The crystals of the human tRNA Gly acceptor-stem helix belong to the monoclinic space group C2, with unit-cell parameters a = 37.12, b = 37.49, c = 30.38 Å, α = γ = 90, β = 113.02°, and contain one molecule per asymmetric unit. A high-resolution data set was acquired using synchrotron radiation and the data were processed to 1.2 Å resolution

Neutron Larmor diffraction measurements for materials science

International Nuclear Information System (INIS)

Repper, J.; Keller, T.; Hofmann, M.; Krempaszky, C.; Petry, W.; Werner, E.

2010-01-01

Neutron Larmor diffraction (LD) is a high-resolution diffraction technique based on the Larmor precession of polarized neutrons. In contrast to conventional diffraction, LD does not depend on the accurate measurement of Bragg angles, and thus the resolution is independent of the beam collimation and monochromaticity. At present, a relative resolution for the determination of the crystal lattice spacing d of Δd/d∼10 -6 is achieved, i.e. at least one order of magnitude superior to conventional neutron or X-ray techniques. This work is a first step to explore the application of LD to high-resolution problems in the analysis of residual stresses, where both the accurate measurement of absolute d values and the possibility of measuring type II and III stresses may provide additional information beyond those accessible by conventional diffraction techniques. Data obtained from Inconel 718 samples are presented.

Neutron Larmor diffraction measurements for materials science

Energy Technology Data Exchange (ETDEWEB)

Repper, J., E-mail: julia_repper@web.de [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), TU Muenchen, 85747 Garching (Germany); Keller, T. [Max-Planck-Institut fuer Festkoerperforschung, 70569 Stuttgart (Germany)] [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), TU Muenchen, 85747 Garching (Germany); Hofmann, M. [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), TU Muenchen, 85747 Garching (Germany); Krempaszky, C. [Christian-Doppler-Labor fuer Werkstoffmechanik von Hochleistungslegierungen, TU Muenchen, 85747 Garching (Germany); Petry, W. [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), TU Muenchen, 85747 Garching (Germany); Werner, E. [Lehrstuhl fuer Werkstoffkunde und Werkstoffmechanik, TU Muenchen, 85747 Garching (Germany)

2010-05-15

Neutron Larmor diffraction (LD) is a high-resolution diffraction technique based on the Larmor precession of polarized neutrons. In contrast to conventional diffraction, LD does not depend on the accurate measurement of Bragg angles, and thus the resolution is independent of the beam collimation and monochromaticity. At present, a relative resolution for the determination of the crystal lattice spacing d of {Delta}d/d{approx}10{sup -6} is achieved, i.e. at least one order of magnitude superior to conventional neutron or X-ray techniques. This work is a first step to explore the application of LD to high-resolution problems in the analysis of residual stresses, where both the accurate measurement of absolute d values and the possibility of measuring type II and III stresses may provide additional information beyond those accessible by conventional diffraction techniques. Data obtained from Inconel 718 samples are presented.

Crystals of DhaA mutants from Rhodococcus rhodochrous NCIMB 13064 diffracted to ultrahigh resolution: crystallization and preliminary diffraction analysis

International Nuclear Information System (INIS)

Stsiapanava, Alena; Koudelakova, Tana; Lapkouski, Mikalai; Pavlova, Martina; Damborsky, Jiri; Kuta Smatanova, Ivana

2008-01-01

Three mutants of the haloalkane dehalogenase DhaA derived from R. rhodochrous NCIMB 13064 were crystallized and diffracted to ultrahigh resolution. The enzyme DhaA from Rhodococcus rhodochrous NCIMB 13064 belongs to the haloalkane dehalogenases, which catalyze the hydrolysis of haloalkanes to the corresponding alcohols. The haloalkane dehalogenase DhaA and its variants can be used to detoxify the industrial pollutant 1,2,3-trichloropropane (TCP). Three mutants named DhaA04, DhaA14 and DhaA15 were constructed in order to study the importance of tunnels connecting the buried active site with the surrounding solvent to the enzymatic activity. All protein mutants were crystallized using the sitting-drop vapour-diffusion method. The crystals of DhaA04 belonged to the orthorhombic space group P2 1 2 1 2 1 , while the crystals of the other two mutants DhaA14 and DhaA15 belonged to the triclinic space group P1. Native data sets were collected for the DhaA04, DhaA14 and DhaA15 mutants at beamline X11 of EMBL, DESY, Hamburg to the high resolutions of 1.30, 0.95 and 1.15 Å, respectively

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

Science.gov (United States)

2013-01-01

Background Hydrogen atoms represent about half of the total number of atoms in proteins and are often involved in substrate recognition and catalysis. Unfortunately, X-ray protein crystallography at usual resolution fails to access directly their positioning, mainly because light atoms display weak contributions to diffraction. However, sub-Ångstrom diffraction data, careful modeling and a proper refinement strategy can allow the positioning of a significant part of hydrogen atoms. Results A comprehensive study on the X-ray structure of the diisopropyl-fluorophosphatase (DFPase) was performed, and the hydrogen atoms were modeled, including those of solvent molecules. This model was compared to the available neutron structure of DFPase, and differences in the protein and the active site solvation were noticed. Conclusions A further examination of the DFPase X-ray structure provides substantial evidence about the presence of an activated water molecule that may constitute an interesting piece of information as regard to the enzymatic hydrolysis mechanism. PMID:23915572

Super-resolution imaging and tracking of protein-protein interactions in sub-diffraction cellular space

Science.gov (United States)

Liu, Zhen; Xing, Dong; Su, Qian Peter; Zhu, Yun; Zhang, Jiamei; Kong, Xinyu; Xue, Boxin; Wang, Sheng; Sun, Hao; Tao, Yile; Sun, Yujie

2014-07-01

Imaging the location and dynamics of individual interacting protein pairs is essential but often difficult because of the fluorescent background from other paired and non-paired molecules, particularly in the sub-diffraction cellular space. Here we develop a new method combining bimolecular fluorescence complementation and photoactivated localization microscopy for super-resolution imaging and single-molecule tracking of specific protein-protein interactions. The method is used to study the interaction of two abundant proteins, MreB and EF-Tu, in Escherichia coli cells. The super-resolution imaging shows interesting distribution and domain sizes of interacting MreB-EF-Tu pairs as a subpopulation of total EF-Tu. The single-molecule tracking of MreB, EF-Tu and MreB-EF-Tu pairs reveals intriguing localization-dependent heterogonous dynamics and provides valuable insights to understanding the roles of MreB-EF-Tu interactions.

Super-resolution imaging and tracking of protein–protein interactions in sub-diffraction cellular space

Science.gov (United States)

Liu, Zhen; Xing, Dong; Su, Qian Peter; Zhu, Yun; Zhang, Jiamei; Kong, Xinyu; Xue, Boxin; Wang, Sheng; Sun, Hao; Tao, Yile; Sun, Yujie

2014-01-01

Imaging the location and dynamics of individual interacting protein pairs is essential but often difficult because of the fluorescent background from other paired and non-paired molecules, particularly in the sub-diffraction cellular space. Here we develop a new method combining bimolecular fluorescence complementation and photoactivated localization microscopy for super-resolution imaging and single-molecule tracking of specific protein–protein interactions. The method is used to study the interaction of two abundant proteins, MreB and EF-Tu, in Escherichia coli cells. The super-resolution imaging shows interesting distribution and domain sizes of interacting MreB–EF-Tu pairs as a subpopulation of total EF-Tu. The single-molecule tracking of MreB, EF-Tu and MreB–EF-Tu pairs reveals intriguing localization-dependent heterogonous dynamics and provides valuable insights to understanding the roles of MreB–EF-Tu interactions. PMID:25030837

X-ray diffraction analysis of a human tRNAGly acceptor-stem microhelix isoacceptor at 1.18 Å resolution

International Nuclear Information System (INIS)

Eichert, André; Perbandt, Markus; Schreiber, Angela; Fürste, Jens P.; Betzel, Christian; Erdmann, Volker A.; Förster, Charlotte

2008-01-01

The tRNA Gly acceptor-stem microhelix isoacceptor from human cytoplasm was crystallized and X-ray diffraction analysis revealed diffraction to 1.18 Å resolution. The sequence of the microhelix was derived from the gene sequence with tRNA Database ID DG9990. Interest has been focused on comparative X-ray structure analyses of different tRNA Gly acceptor-stem helices. tRNA Gly /glycyl-tRNA synthetase belongs to the so-called class II system, in which the tRNA identity elements consist of simple and unique determinants that are located in the tRNA acceptor stem and the discriminator base. Comparative structure investigations of tRNA Gly microhelices provide insight into the role of tRNA identity elements. Predominant differences in the structures of glycyl-tRNA synthetases and in the tRNA identity elements between prokaryotes and eukaryotes point to divergence during the evolutionary process. Here, the crystallization and high-resolution X-ray diffraction analysis of a human tRNA Gly acceptor-stem microhelix with sequence 5′-G 1 C 2 A 3 U 4 U 5 G 6 G 7 -3′, 5′-C 66 C 67 A 68 A 69 U 70 G 71 C 72 -3′ is reported. The crystals belonged to the monoclinic space group C2, with unit-cell parameters a = 37.32, b = 37.61, c = 30.47 Å, β = 112.60° and one molecule per asymmetric unit. A data set was collected using synchrotron radiation and data were processed within the resolution range 50.0–1.18 Å. The structure was solved by molecular replacement

On absolute scaling in protein crystallography using sums of low-resolution intensities and Wilson statistics at low resolution

International Nuclear Information System (INIS)

Roth, M.

1986-01-01

A method of absolute scaling of diffraction data is proposed, based on the calculation of the sum of the intensity diffracted at low resolution (Bragg d spacing > 15 A). This sum is proportional to the mean-square deviation of the scattering-length density in the unit cell, and this property is used to determine the scale factor. The method is applied to the case of neutron diffraction using contrast variation experiments with biological molecules, and it is used to check the validity of some assumptions concerning the system under study, such as the global rate of H/D exchange or the uniformity of scattering-length density in the molecules. The use of this method requires an asymptotic correction of the sum of intensity. This correction is based on Porod's law, whose application to diffraction experiments is discussed, in particular for contrast variation experiments. An analysis of the spherical average of the diffracted intensity as a function of the scattering vector, compared to isotropic solution scattering, allows the conditions of applicability of Wilson statistics to be specified at low and medium resolution, i.e. the random statistical model underlying the Wilson statistics in this scattering range to be defined. (orig.)

Super-resolution imaging applied to moving object tracking

Science.gov (United States)

Swalaganata, Galandaru; Ratna Sulistyaningrum, Dwi; Setiyono, Budi

2017-10-01

Moving object tracking in a video is a method used to detect and analyze changes that occur in an object that being observed. Visual quality and the precision of the tracked target are highly wished in modern tracking system. The fact that the tracked object does not always seem clear causes the tracking result less precise. The reasons are low quality video, system noise, small object, and other factors. In order to improve the precision of the tracked object especially for small object, we propose a two step solution that integrates a super-resolution technique into tracking approach. First step is super-resolution imaging applied into frame sequences. This step was done by cropping the frame in several frame or all of frame. Second step is tracking the result of super-resolution images. Super-resolution image is a technique to obtain high-resolution images from low-resolution images. In this research single frame super-resolution technique is proposed for tracking approach. Single frame super-resolution was a kind of super-resolution that it has the advantage of fast computation time. The method used for tracking is Camshift. The advantages of Camshift was simple calculation based on HSV color that use its histogram for some condition and color of the object varies. The computational complexity and large memory requirements required for the implementation of super-resolution and tracking were reduced and the precision of the tracked target was good. Experiment showed that integrate a super-resolution imaging into tracking technique can track the object precisely with various background, shape changes of the object, and in a good light conditions.

High quality transmission Kikuchi diffraction analysis of deformed alloys - Case study

International Nuclear Information System (INIS)

Tokarski, Tomasz; Cios, Grzegorz; Kula, Anna; Bała, Piotr

2016-01-01

Modern scanning electron microscopes (SEM) equipped with thermally assisted field emission guns (Schottky FEG) are capable of imaging with a resolution in the range of several nanometers or better. Simultaneously, the high electron beam current can be used, which enables fast chemical and crystallographic analysis with a higher resolution than is normally offered by SEM with a tungsten cathode. The current resolution that limits the EDS and EBSD analysis is related to materials' physics, particularly to the electron-specimen interaction volume. The application of thin, electron-transparent specimens, instead of bulk samples, improves the resolution and allows for the detailed analysis of very fine microstructural features. Beside the typical imaging mode, it is possible to use a standard EBSD camera in such a configuration that only transmitted and scattered electrons are detected. This modern approach was successfully applied to various materials giving rise to significant resolution improvement, especially for the light element magnesium based alloys. This paper presents an insight into the application of the transmission Kikuchi diffraction (TKD) technique applied to the most troublesome, heavily-deformed materials. In particular, the values of the highest possible acquisition rates for high resolution and high quality mapping were estimated within typical imaging conditions of stainless steel and magnesium-yttrium alloy. - Highlights: •Monte Carlo simulations were used to simulate EBSD camera intensity for various measuring conditions. •Transmission Kikuchi diffraction parameters were evaluated for highly deformed, light and heavy elements based alloys. •High quality maps with 20 nm spatial resolution were acquired for Mg and Fe based alloys. •High speed TKD measurements were performed at acquisition rates comparable to the reflection EBSD.

High resolution electron microscopy and electron diffraction of YBa2Cu3O(7-x)

International Nuclear Information System (INIS)

Krakow, W.; Shaw, T.M.

1988-01-01

Experimental high resolution electron micrographs and computer simulation experiments have been used to evaluate the visibility of the atomic constituents of YBa 2 Cu 3 O(7-x). In practice, the detection of oxygen has not been possible in contradiction to that predicted by modelling of perfect crystalline material. Preliminary computer experiments of the electron diffraction patterns when oxygen vacancies are introduced on the Cu-O sheets separating Ba layers show the diffuse streaks characteristic of short range ordering. 7 references

Direct observation of strain in bulk subgrains and dislocation walls by high angular resolution three-dimensional X-ray diffraction

DEFF Research Database (Denmark)

Jakobsen, Bo; Lienert, U.; Almer, J.

2008-01-01

The X-ray diffraction (XRD) method "high angular resolution 3DXRD" is briefly introduced, and results are presented for a single bulk grain in a polycrystalline copper sample deformed in tension. It is found that the three-dimensional reciprocal-space intensity distribution of a 400 reflection...

Hard x-ray monochromator with milli-electron volt bandwidth for high-resolution diffraction studies of diamond crystals

Energy Technology Data Exchange (ETDEWEB)

Stoupin, Stanislav; Shvyd' ko, Yuri; Shu Deming; Khachatryan, Ruben; Xiao, Xianghui; DeCarlo, Francesco; Goetze, Kurt; Roberts, Timothy; Roehrig, Christian; Deriy, Alexey [Advanced Photon Source, Argonne National Laboratory, Illinois 60439 (United States)

2012-02-15

We report on design and performance of a high-resolution x-ray monochromator with a spectral bandwidth of {Delta}E{sub X}{approx_equal} 1.5 meV, which operates at x-ray energies in the vicinity of the backscattering (Bragg) energy E{sub H} = 13.903 keV of the (008) reflection in diamond. The monochromator is utilized for high-energy-resolution diffraction characterization of diamond crystals as elements of advanced x-ray crystal optics for synchrotrons and x-ray free-electron lasers. The monochromator and the related controls are made portable such that they can be installed and operated at any appropriate synchrotron beamline equipped with a pre-monochromator.

Rapid, low dose X-ray diffractive imaging of the malaria parasite Plasmodium falciparum

International Nuclear Information System (INIS)

Jones, Michael W.M.; Dearnley, Megan K.; Riessen, Grant A. van; Abbey, Brian; Putkunz, Corey T.; Junker, Mark D.; Vine, David J.; McNulty, Ian; Nugent, Keith A.; Peele, Andrew G.; Tilley, Leann

2014-01-01

Phase-diverse X-ray coherent diffractive imaging (CDI) provides a route to high sensitivity and spatial resolution with moderate radiation dose. It also provides a robust solution to the well-known phase-problem, making on-line image reconstruction feasible. Here we apply phase-diverse CDI to a cellular sample, obtaining images of an erythrocyte infected by the sexual stage of the malaria parasite, Plasmodium falciparum, with a radiation dose significantly lower than the lowest dose previously reported for cellular imaging using CDI. The high sensitivity and resolution allow key biological features to be identified within intact cells, providing complementary information to optical and electron microscopy. This high throughput method could be used for fast tomographic imaging, or to generate multiple replicates in two-dimensions of hydrated biological systems without freezing or fixing. This work demonstrates that phase-diverse CDI is a valuable complementary imaging method for the biological sciences and ready for immediate application. - Highlights: • Phase-diverse coherent X-ray diffraction microscopy provides high-resolution and high-contrast images of intact biological samples. • Rapid nanoscale resolution imaging is demonstrated at orders of magnitude lower dose than previously possible. • Phase-diverse coherent X-ray diffraction microscopy is a robust technique for rapid, quantitative, and correlative X-ray phase imaging

Rapid, low dose X-ray diffractive imaging of the malaria parasite Plasmodium falciparum

Energy Technology Data Exchange (ETDEWEB)

Jones, Michael W.M., E-mail: michael.jones@latrobe.edu.au [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Dearnley, Megan K. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Biochemistry and Molecular Biology, Bio21 Institute, The University of Melbourne, Victoria 3010 (Australia); Riessen, Grant A. van [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Abbey, Brian [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Melbourne Centre for Nanofabrication, Victoria 3168 (Australia); Putkunz, Corey T. [ARC Centre of Excellence for Coherent X-Ray Science, School of Physics, The University of Melbourne, Victoria 3010 (Australia); Junker, Mark D. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Vine, David J. [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); McNulty, Ian [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Centre for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Nugent, Keith A. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Peele, Andrew G. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Australian Synchrotron, 800 Blackburn Road, Clayton 3168 (Australia); Tilley, Leann [ARC Centre of Excellence for Coherent X-Ray Science, Department of Biochemistry and Molecular Biology, Bio21 Institute, The University of Melbourne, Victoria 3010 (Australia)

2014-08-01

Phase-diverse X-ray coherent diffractive imaging (CDI) provides a route to high sensitivity and spatial resolution with moderate radiation dose. It also provides a robust solution to the well-known phase-problem, making on-line image reconstruction feasible. Here we apply phase-diverse CDI to a cellular sample, obtaining images of an erythrocyte infected by the sexual stage of the malaria parasite, Plasmodium falciparum, with a radiation dose significantly lower than the lowest dose previously reported for cellular imaging using CDI. The high sensitivity and resolution allow key biological features to be identified within intact cells, providing complementary information to optical and electron microscopy. This high throughput method could be used for fast tomographic imaging, or to generate multiple replicates in two-dimensions of hydrated biological systems without freezing or fixing. This work demonstrates that phase-diverse CDI is a valuable complementary imaging method for the biological sciences and ready for immediate application. - Highlights: • Phase-diverse coherent X-ray diffraction microscopy provides high-resolution and high-contrast images of intact biological samples. • Rapid nanoscale resolution imaging is demonstrated at orders of magnitude lower dose than previously possible. • Phase-diverse coherent X-ray diffraction microscopy is a robust technique for rapid, quantitative, and correlative X-ray phase imaging.

Investigation of the critical scattering at the structural phase transition in RbCaF/sub 3/ using Moessbauer diffraction

Energy Technology Data Exchange (ETDEWEB)

Maetz, J; Butt, N M; Jex, H; Muellner, M [Frankfurt Univ. (Germany, F.R.). Inst. fuer Kernphysik

1979-01-01

The critical scattering near the phase transition of RbCaF/sub 3/ from its cubic to the tetragonal structure at Tsub(c)=196 K is investigated. Moessbauer diffraction is applied to separate elastic and inelastic scattering intensities with energy resolution of 60 neV. The influence of domains is shown from X-ray diffraction.

Stability of dislocation structures in copper towards stress relaxation investigated by high angular resolution 3D X-ray diffraction

DEFF Research Database (Denmark)

Jakobsen, Bo; Poulsen, Henning Friis; Lienert, Ulrich

2009-01-01

A 300 µm thick tensile specimen of OFHC copper is subjected to a tensile loading sequence and deformed to a maximal strain of 3.11%. Using the novel three-dimensional X-ray diffraction method High angular resolution 3DXRD', the evolution of the microstructure within a deeply embedded grain....... In contrast to the deformation stages, during each stress relaxation stage, number, size and orientation of subgrains are found to be constant, while a minor amount of clean-up of the microstructure is observed as narrowing of the radial X-ray diffraction line profile. The associated decrease in the width...

Prospect for application of compact accelerator-based neutron source to neutron engineering diffraction

Energy Technology Data Exchange (ETDEWEB)

Ikeda, Yoshimasa, E-mail: yoshimasa.ikeda@riken.jp [Center for Advanced Photonics, RIKEN, Wako, Saitama 351-0198 (Japan); Taketani, Atsushi; Takamura, Masato; Sunaga, Hideyuki [Center for Advanced Photonics, RIKEN, Wako, Saitama 351-0198 (Japan); Kumagai, Masayoshi [Faculty of Engineering, Tokyo City University, Setagaya, Tokyo 158-8857 (Japan); Oba, Yojiro [Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494 (Japan); Otake, Yoshie [Center for Advanced Photonics, RIKEN, Wako, Saitama 351-0198 (Japan); Suzuki, Hiroshi [Materials Sciences Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

2016-10-11

A compact accelerator-based neutron source has been lately discussed on engineering applications such as transmission imaging and small angle scattering as well as reflectometry. However, nobody considers using it for neutron diffraction experiment because of its low neutron flux. In this study, therefore, the neutron diffraction experiments are carried out using Riken Accelerator-driven Compact Neutron Source (RANS), to clarify the capability of the compact neutron source for neutron engineering diffraction. The diffraction pattern from a ferritic steel was successfully measured by suitable arrangement of the optical system to reduce the background noise, and it was confirmed that the recognizable diffraction pattern can be measured by a large sampling volume with 10 mm in cubic for an acceptable measurement time, i.e. 10 min. The minimum resolution of the 110 reflection for RANS is approximately 2.5% at 8 μs of the proton pulse width, which is insufficient to perform the strain measurement by neutron diffraction. The moderation time width at the wavelength corresponding to the 110 reflection is estimated to be approximately 30 μs, which is the most dominant factor to determine the resolution. Therefore, refinements of the moderator system to decrease the moderation time by decreasing a thickness of the moderator or by applying the decoupler system or application of the angular dispersive neutron diffraction technique are important to improve the resolution of the diffraction experiment using the compact neutron source. In contrast, the texture evolution due to plastic deformation was successfully observed by measuring a change in the diffraction peak intensity by RANS. Furthermore, the volume fraction of the austenitic phase in the dual phase mock specimen was also successfully evaluated by fitting the diffraction pattern using a Rietveld code. Consequently, RANS has been proved to be capable for neutron engineering diffraction aiming for the easy access

Report from the neutron diffraction work group

International Nuclear Information System (INIS)

1978-08-01

This progress report of the neutron diffraction group at the Hahn Meitner Institute in Berlin comprises the following contributions: Three-dimensional critical properties of CsNiF 3 around the Neel point; Spin waves in CsNiF 3 with an applied magnetic field; Solitons in CsNiF 3 : Their experimental evidence and their thermodynamics; Neutron diffraction study of DAG at very low temperatures and in external magnetic field; Neutron diffraction investigation of tricritical behaviour in DyPO 4 ; Crystalline modifications and structural phase transitions of NaOH; Gitterdynamik von Cerhydrid; Investigation of the ferroelectric-ferroelastic phase transition in KH 2 PO 4 and RbH 2 PO 4 by means of γ-ray diffractometry; A γ-ray diffractometer for systematic measurements of absolute structure factors; Electron density in pyrite by combined γ-ray and neutron diffraction measurements: Thermal parameters from short wavelength neutron data; Accurate determination of temperature parameters from neutron diffraction data: Direct observation of the thermal diffuse scattering from silicon using perfect crystals; A Compton spectrometer for momentum density studies using 412 keV γ-radiation; Investigation of the electronic structure of Niobiumhydrides by means of gamma-ray Compton scattering; Interpretation of Compton profile data in position space; High resolution neutron scattering measurements on single crystals using a horizontally bent monochromator and a multidetecter; Statistical analysis of neutron diffraction studies of proteins. (orig.) [de

New imaging technique based on diffraction of a focused x-ray beam

Energy Technology Data Exchange (ETDEWEB)

Kazimirov, A [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States); Kohn, V G [Russian Research Center ' Kurchatov Institute, 123182 Moscow (Russian Federation); Cai, Z-H [Advanced Photon Source, 9700 S. Cass Avenue, Argonne, IL 60439 (United States)], E-mail: ayk7@cornell.edu

2009-01-07

We present first experimental results from a new diffraction depth-sensitive imaging technique. It is based on the diffraction of a focused x-ray beam from a crystalline sample and recording the intensity pattern on a high-resolution CCD detector positioned at a focal plane. Structural non-uniformity inside the sample results in a region of enhanced intensity in the diffraction pattern. The technique was applied to study silicon-on-insulator thin layers of various thicknesses which revealed a complex strain profile within the layers. A circular Fresnel zone plate was used as a focusing optic. Incoherent diffuse scattering spreads out of the diffraction plane and results in intensity recorded outside of the focal spot providing a new approach to separately register x-rays scattered coherently and incoherently from the sample. (fast track communication)

High-speed classification of coherent X-ray diffraction patterns on the K computer for high-resolution single biomolecule imaging

Energy Technology Data Exchange (ETDEWEB)

Tokuhisa, Atsushi [RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Arai, Junya [The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Joti, Yasumasa [JASRI, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Ohno, Yoshiyuki; Kameyama, Toyohisa; Yamamoto, Keiji; Hatanaka, Masayuki; Gerofi, Balazs; Shimada, Akio; Kurokawa, Motoyoshi; Shoji, Fumiyoshi [RIKEN Advanced Institute for Computational Science, 7-1-26 Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo 650-0047 (Japan); Okada, Kensuke [RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Sugimoto, Takashi [JASRI, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Yamaga, Mitsuhiro; Tanaka, Ryotaro [RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Yokokawa, Mitsuo; Hori, Atsushi [RIKEN Advanced Institute for Computational Science, 7-1-26 Minatojima-minami-machi, Chuo-ku, Kobe, Hyogo 650-0047 (Japan); Ishikawa, Yutaka, E-mail: ishikawa@is.s.u-tokyo.ac.jp [The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Hatsui, Takaki, E-mail: ishikawa@is.s.u-tokyo.ac.jp [RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Go, Nobuhiro [Japan Atomic Energy Agency, 8-1-7 Umemidai, Kizugawa, Kyoto 619-0215 (Japan)

2013-11-01

A code with an algorithm for high-speed classification of X-ray diffraction patterns has been developed. Results obtained for a set of 1 × 10{sup 6} simulated diffraction patterns are also reported. Single-particle coherent X-ray diffraction imaging using an X-ray free-electron laser has the potential to reveal the three-dimensional structure of a biological supra-molecule at sub-nanometer resolution. In order to realise this method, it is necessary to analyze as many as 1 × 10{sup 6} noisy X-ray diffraction patterns, each for an unknown random target orientation. To cope with the severe quantum noise, patterns need to be classified according to their similarities and average similar patterns to improve the signal-to-noise ratio. A high-speed scalable scheme has been developed to carry out classification on the K computer, a 10PFLOPS supercomputer at RIKEN Advanced Institute for Computational Science. It is designed to work on the real-time basis with the experimental diffraction pattern collection at the X-ray free-electron laser facility SACLA so that the result of classification can be feedback for optimizing experimental parameters during the experiment. The present status of our effort developing the system and also a result of application to a set of simulated diffraction patterns is reported. About 1 × 10{sup 6} diffraction patterns were successfully classificatied by running 255 separate 1 h jobs in 385-node mode.

Super Resolution and Interference Suppression Technique applied to SHARAD Radar Data

Science.gov (United States)

Raguso, M. C.; Mastrogiuseppe, M.; Seu, R.; Piazzo, L.

2017-12-01

We will present a super resolution and interference suppression technique applied to the data acquired by the SHAllow RADar (SHARAD) on board the NASA's 2005 Mars Reconnaissance Orbiter (MRO) mission, currently operating around Mars [1]. The algorithms allow to improve the range resolution roughly by a factor of 3 and the Signal to Noise Ratio (SNR) by a several decibels. Range compression algorithms usually adopt conventional Fourier transform techniques, which are limited in the resolution by the transmitted signal bandwidth, analogous to the Rayleigh's criterion in optics. In this work, we investigate a super resolution method based on autoregressive models and linear prediction techniques [2]. Starting from the estimation of the linear prediction coefficients from the spectral data, the algorithm performs the radar bandwidth extrapolation (BWE), thereby improving the range resolution of the pulse-compressed coherent radar data. Moreover, the EMIs (ElectroMagnetic Interferences) are detected and the spectra is interpolated in order to reconstruct an interference free spectrum, thereby improving the SNR. The algorithm can be applied to the single complex look image after synthetic aperture processing (SAR). We apply the proposed algorithm to simulated as well as to real radar data. We will demonstrate the effective enhancement on vertical resolution with respect to the classical spectral estimator. We will show that the imaging of the subsurface layered structures observed in radargrams is improved, allowing additional insights for the scientific community in the interpretation of the SHARAD radar data, which will help to further our understanding of the formation and evolution of known geological features on Mars. References: [1] Seu et al. 2007, Science, 2007, 317, 1715-1718 [2] K.M. Cuomo, "A Bandwidth Extrapolation Technique for Improved Range Resolution of Coherent Radar Data", Project Report CJP-60, Revision 1, MIT Lincoln Laboratory (4 Dec. 1992).

Contribution of x-ray topography and high-resolution diffraction to the study of defects in SiC

International Nuclear Information System (INIS)

Dudley, Michael; Huang Xianrong; Vetter, William M

2003-01-01

A short review is presented of the various synchrotron white beam x-ray topography (SWBXT) imaging techniques developed for characterization of silicon carbide (SiC) crystals and thin films. These techniques, including back-reflection topography, reticulography, transmission topography, and a set of section topography techniques, are demonstrated to be particularly powerful for imaging hollow-core screw dislocations (micropipes) and closed-core threading screw dislocations, as well as other defects, in SiC. The geometrical diffraction mechanism commonly underlying these imaging processes is emphasized for understanding the nature and origins of these defects. Also introduced is the application of SWBXT combined with high-resolution x-ray diffraction techniques to complete characterization of 3C/4H or 3C/6H SiC heterostructures, including polytype identification, 3C variant mapping, and accurate lattice mismatch measurements

Location of adsorbed species in NO-reduction catalysts by high resolution neutron powder diffraction

International Nuclear Information System (INIS)

Fowkes, A.J.; Rosseinsky, M.J.

1999-01-01

Complete text of publication follows. Catalysts containing copper ion exchanged into zeolites are attracting considerable attention due to their efficiency for both NO decomposition and the selective catalytic reduction of NO x in so-called lean-burn conditions in automotive exhausts. This presentation will describe the application of in-situ high resolution neutron powder diffraction to study active sites in a Cu-zeolite Y catalyst active for NO decomposition. The study under NO pressure reveals the location of two distinct copper sites for sorption. The influence of copper oxidation state on the structure of both the pristine and NO-loaded zeolites will be discussed. (author)

Resolution of crystal structures by X-ray and neutrons powder diffraction using global optimisation methods; Resolution des structures cristallines par diffraction des rayons X et neutrons sur poudres en utilisant les methodes d'optimisation globale

Energy Technology Data Exchange (ETDEWEB)

Palin, L

2005-03-15

We have shown in this work that X-ray diffraction on powder is a powerful tool to analyze crystal structure. The purpose of this thesis is the resolution of crystal structures by X-ray and neutrons diffraction on powder using global optimisation methods. We have studied 3 different topics. The first one is the order-disorder phenomena observed in some globular organic molecular solids. The second is the opiate family of neuropeptides. These neurotransmitters regulate sensory functions including pain and control of respiration in the central nervous system. The aim of our study was to try to determine the crystal structure of Leu-enkephalin and some of its sub-fragments. The determination of the crystal structures has been done performing Monte Carlo simulations. The third one is the location of benzene in a sodium-X zeolite. The zeolite framework was already known and the benzene has been localized by simulated annealing and by the use of maximum entropy maps.

Design and implementation of an optimal laser pulse front tilting scheme for ultrafast electron diffraction in reflection geometry with high temporal resolution

Directory of Open Access Journals (Sweden)

Francesco Pennacchio

2017-07-01

Full Text Available Ultrafast electron diffraction is a powerful technique to investigate out-of-equilibrium atomic dynamics in solids with high temporal resolution. When diffraction is performed in reflection geometry, the main limitation is the mismatch in group velocity between the overlapping pump light and the electron probe pulses, which affects the overall temporal resolution of the experiment. A solution already available in the literature involved pulse front tilt of the pump beam at the sample, providing a sub-picosecond time resolution. However, in the reported optical scheme, the tilted pulse is characterized by a temporal chirp of about 1 ps at 1 mm away from the centre of the beam, which limits the investigation of surface dynamics in large crystals. In this paper, we propose an optimal tilting scheme designed for a radio-frequency-compressed ultrafast electron diffraction setup working in reflection geometry with 30 keV electron pulses containing up to 105 electrons/pulse. To characterize our scheme, we performed optical cross-correlation measurements, obtaining an average temporal width of the tilted pulse lower than 250 fs. The calibration of the electron-laser temporal overlap was obtained by monitoring the spatial profile of the electron beam when interacting with the plasma optically induced at the apex of a copper needle (plasma lensing effect. Finally, we report the first time-resolved results obtained on graphite, where the electron-phonon coupling dynamics is observed, showing an overall temporal resolution in the sub-500 fs regime. The successful implementation of this configuration opens the way to directly probe structural dynamics of low-dimensional systems in the sub-picosecond regime, with pulsed electrons.

Tolerance analysis on diffraction efficiency and polychromatic integral diffraction efficiency for harmonic diffractive optics

Science.gov (United States)

Shan, Mao

2016-10-01

In this dissertation, the mathematical model of effect of manufacturing errors including microstructure relative height error and relative width error on diffraction efficiency for the harmonic diffractive optical elements (HDEs) is set up. According to the expression of the phase delay and diffraction efficiency of the HDEs, the expression of diffraction efficiency of refraction and diffractive optical element with the microstructure height and periodic width errors in fabrication process is presented in this paper. Furthermore, the effect of manufacturing errors on diffraction efficiency for the harmonic diffractive optical elements is studied, and diffraction efficiency change is analyzed as the relative microstructure height-error in the same and in the opposite sign as well as relative width-error in the same and in the opposite sign. Example including infrared wavelength with materials GE has been discussed in this paper. Two kinds of manufacturing errors applied in 3.7 4.3um middle infrared and 8.7-11.5um far infrared optical system which results in diffraction efficiency and PIDE of HDEs are studied. The analysis results can be used for manufacturing error control in micro-structure height and periodic width. Results can be used for HDEs processing.

Purification, crystallization and preliminary X-ray diffraction studies to near-atomic resolution of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus

International Nuclear Information System (INIS)

Burgess, Benjamin R.; Dobson, Renwick C. J.; Dogovski, Con; Jameson, Geoffrey B.; Parker, Michael W.; Perugini, Matthew A.

2008-01-01

Dihydrodipicolinate synthase (DHDPS), an enzyme of the lysine-biosynthetic pathway, is a promising target for antibiotic development against pathogenic bacteria. Here, the expression, purification, crystallization and preliminary diffraction analysis to 1.45 Å resolution of DHDPS from methicillin-resistant S. aureus is reported. In recent years, dihydrodipicolinate synthase (DHDPS; EC 4.2.1.52) has received considerable attention from both mechanistic and structural viewpoints. DHDPS is part of the diaminopimelate pathway leading to lysine, coupling (S)-aspartate-β-semialdehyde with pyruvate via a Schiff base to a conserved active-site lysine. In this paper, the cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of DHDPS from methicillin-resistant Staphylococcus aureus, an important bacterial pathogen, are reported. The enzyme was crystallized in a number of forms, predominantly from PEG precipitants, with the best crystal diffracting to beyond 1.45 Å resolution. The space group was P1 and the unit-cell parameters were a = 65.4, b = 67.6, c = 78.0 Å, α = 90.1, β = 68.9, γ = 72.3°. The crystal volume per protein weight (V M ) was 2.34 Å 3 Da −1 , with an estimated solvent content of 47% for four monomers per asymmetric unit. The structure of the enzyme will help to guide the design of novel therapeutics against the methicillin-resistant S. aureus pathogen

Submicron resolution X-ray diffraction from periodically patterned GaAs nanorods grown onto Ge[111

Energy Technology Data Exchange (ETDEWEB)

Davydok, Anton; Biermanns, Andreas; Pietsch, Ullrich [Solid State Physics, Siegen University (Germany); Grenzer, Joerg [FZ-Dresden Rossendorf, Dresden (Germany); Paetzelt, Hendrik; Gottschalch, Volker; Bauer, Jens [Solid State Chemistry, University of Leipzig (Germany)

2009-08-15

We present high-resolution X-ray diffraction pattern of periodic GaAs nanorods (NRs) ensembles and individual GaAs NRs grown catalyst-free throughout a pre-patterned amorphous SiN{sub x} mask onto Ge[111]B surfaces by selective-area MOVPE method. To the best of our knowledge this is the first report about nano-structure X-ray characterization growth on non-polar substrate. The experiment has been performed at home laboratory and using synchrotron radiation using a micro-sized beam prepared by compound refractive lenses. Due to the non-polar character of the substrate the shapes of NRs appear not uniform and vary between deformed hexagonal and trigonal in symmetry. Because the average diameter of NRs equals the experimental resolution certain cuts through slightly inclined edges or corners of individual NRs with lateral size of about 225 nm could be selected using spatially resolved reciprocal space mapping. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

A high resolution, high counting rate bidimensional, MWPC imaging detector for small angle X-ray diffraction studies

International Nuclear Information System (INIS)

Bateman, J.E.; Connolly, J.F.; Sawyer, E.C.; Stephenson, R.

1981-07-01

The performance is reported of a 200 mm x 200 mm X-ray imaging MWPC aimed at applications in small angle X-ray diffraction and scattering. With quantum energies of approximately 8 keV high spatial resolution (+- 0.5 mm x +- 0.14 mm) with a capability for data taking at >approximately 350 kHz is reported. The detection efficiency is approximately 75% and the detector operates as a sealed unit with a long lifetime. (author)

Measurement of the velocity of sound in crystals by pulsed neutron diffraction

International Nuclear Information System (INIS)

Willis, B.T.M.; Carlile, C.J.; Ward, R.C.; David, W.I.F.; Johnson, M.W.

1986-03-01

The diffraction method of observing elementary excitations in crystals has been applied to the study of one-phonon thermal diffuse scattering from pyrolytic graphite on a high resolution pulsed neutron diffractometer. The variation of the phase velocity of sound as a function of direction in the crystal and efficient method of determining sound velocities in crystals under extreme conditions. (author)

Interfaces and strain in InGaAsP/InP heterostructures assessed with dynamical simulations of high-resolution x-ray diffraction curves

International Nuclear Information System (INIS)

Vandenberg, J.M.

1995-01-01

The interfacial structure of a lattice-matched InGaAs/InP/(100)InP superlattice with a long period of ∼630 Angstrom has been studied by fully dynamical simulations of high-resolution x-ray diffraction curves. This structure exhibits a very symmetrical x-ray pattern enveloping a large number of closely spaced satellite intensities with pronounced maxima and minima. It appears in the dynamical analysis that the position and shape of these maxima and minima is extremely sensitive to the number N of molecular layers and atomic spacing d of the InGaAs and InP layer and in particular the presence of strained interfacial layers. The structural model of strained interfaces was also applied to an epitaxial lattice-matched 700 Angstrom InP/400 Angstrom InGaAsP/(100)InP beterostructure. 9 refs., 3 figs

Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings

International Nuclear Information System (INIS)

Schmitt, Thorsten; Groot, Frank M. F. de; Rubensson, Jan-Erik

2014-01-01

Diffraction-limited storage rings will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size in resonant inelastic X-ray scattering (RIXS) experiments to new limits. In this article the types of improved soft X-ray RIXS studies that will become possible with these instrumental improvements are envisioned. The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned

High Resolution X-ray Diffraction Dataset for Bacillus licheniformis Gamma Glutamyl Transpeptidase-acivicin complex: SUMO-Tag Renders High Expression and Solubility.

Science.gov (United States)

Kumari, Shobha; Pal, Ravi Kant; Gupta, Rani; Goel, Manisha

2017-02-01

Gamma glutamyl transpeptidase, (GGT) is a ubiquitous protein which plays a central role in glutathione metabolism and has myriad clinical implications. It has been shown to be a virulence factor for pathogenic bacteria, inhibition of which results in reduced colonization potential. However, existing inhibitors are effective but toxic and therefore search is on for novel inhibitors, which makes it imperative to understand the interactions of various inhibitors with the protein in substantial detail. High resolution structures of protein bound to different inhibitors can serve this purpose. Gamma glutamyl transpeptidase from Bacillus licheniformis is one of the model systems that have been used to understand the structure-function correlation of the protein. The structures of the native protein (PDB code 4OTT), of its complex with glutamate (PDB code 4OTU) and that of its precursor mimic (PDB code 4Y23) are available, although at moderate/low resolution. In the present study, we are reporting the preliminary analysis of, high resolution X-ray diffraction data collected for the co-crystals of B. licheniformis, Gamma glutamyl transpeptidase, with its inhibitor, Acivicin. Crystals belong to the orthorhombic space group P2 1 2 1 2 1 and diffract X-ray to 1.45 Å resolution. This is the highest resolution data reported for all GGT structures available till now. The use of SUMO fused expression system enhanced yield of the target protein in the soluble fraction, facilitating recovery of protein with high purity. The preliminary analysis of this data set shows clear density for the inhibitor, acivicin, in the protein active site.

A multi-step strategy to obtain crystals of the dengue virus RNA-dependent RNA polymerase that diffract to high resolution

International Nuclear Information System (INIS)

Yap, Thai Leong; Chen, Yen Liang; Xu, Ting; Wen, Daying; Vasudevan, Subhash G.; Lescar, Julien

2007-01-01

Crystals of the RNA-dependent RNA polymerase catalytic domain from the dengue virus NS5 protein have been obtained using a strategy that included expression screening of naturally occurring serotype variants of the protein, the addition of divalent metal ions and crystal dehydration. These crystals diffract to 1.85 Å resolution and are thus suitable for a structure-based drug-design program. Dengue virus, a member of the Flaviviridae genus, causes dengue fever, an important emerging disease with several million infections occurring annually for which no effective therapy exists. The viral RNA-dependent RNA polymerase NS5 plays an important role in virus replication and represents an interesting target for the development of specific antiviral compounds. Crystals that diffract to 1.85 Å resolution that are suitable for three-dimensional structure determination and thus for a structure-based drug-design program have been obtained using a strategy that included expression screening of naturally occurring serotype variants of the protein, the addition of divalent metal ions and crystal dehydration

A multi-step strategy to obtain crystals of the dengue virus RNA-dependent RNA polymerase that diffract to high resolution

Energy Technology Data Exchange (ETDEWEB)

Yap, Thai Leong [Novartis Institute for Tropical Diseases, 10 Biopolis Road, Chromos Building, Singapore 138670 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore); Chen, Yen Liang; Xu, Ting; Wen, Daying; Vasudevan, Subhash G. [Novartis Institute for Tropical Diseases, 10 Biopolis Road, Chromos Building, Singapore 138670 (Singapore); Lescar, Julien, E-mail: julien@ntu.edu.sg [Novartis Institute for Tropical Diseases, 10 Biopolis Road, Chromos Building, Singapore 138670 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore)

2007-02-01

Crystals of the RNA-dependent RNA polymerase catalytic domain from the dengue virus NS5 protein have been obtained using a strategy that included expression screening of naturally occurring serotype variants of the protein, the addition of divalent metal ions and crystal dehydration. These crystals diffract to 1.85 Å resolution and are thus suitable for a structure-based drug-design program. Dengue virus, a member of the Flaviviridae genus, causes dengue fever, an important emerging disease with several million infections occurring annually for which no effective therapy exists. The viral RNA-dependent RNA polymerase NS5 plays an important role in virus replication and represents an interesting target for the development of specific antiviral compounds. Crystals that diffract to 1.85 Å resolution that are suitable for three-dimensional structure determination and thus for a structure-based drug-design program have been obtained using a strategy that included expression screening of naturally occurring serotype variants of the protein, the addition of divalent metal ions and crystal dehydration.

Biological imaging by soft X-ray diffraction microscopy

Science.gov (United States)

Shapiro, David

We have developed a microscope for soft x-ray diffraction imaging of dry or frozen hydrated biological specimens. This lensless imaging system does not suffer from the resolution or specimen thickness limitations that other short wavelength microscopes experience. The microscope, currently situated at beamline 9.0.1 of the Advanced Light Source, can collect diffraction data to 12 nm resolution with 750 eV photons and 17 nm resolution with 520 eV photons. The specimen can be rotated with a precision goniometer through an angle of 160 degrees allowing for the collection of nearly complete three-dimensional diffraction data. The microscope is fully computer controlled through a graphical user interface and a scripting language automates the collection of both two-dimensional and three-dimensional data. Diffraction data from a freeze-dried dwarf yeast cell, Saccharomyces cerevisiae carrying the CLN3-1 mutation, was collected to 12 run resolution from 8 specimen orientations spanning a total rotation of 8 degrees. The diffraction data was phased using the difference map algorithm and the reconstructions provide real space images of the cell to 30 nm resolution from each of the orientations. The agreement of the different reconstructions provides confidence in the recovered, and previously unknown, structure and indicates the three dimensionality of the cell. This work represents the first imaging of the natural complex refractive contrast from a whole unstained cell by the diffraction microscopy method and has achieved a resolution superior to lens based x-ray tomographic reconstructions of similar specimens. Studies of the effects of exposure to large radiation doses were also carried out. It was determined that the freeze-dried cell suffers from an initial collapse, which is followed by a uniform, but slow, shrinkage. This structural damage to the cell is not accompanied by a diminished ability to see small features in the specimen. Preliminary measurements on frozen

Neutron powder diffraction at a pulsed neutron source: a study of resolution effects

International Nuclear Information System (INIS)

Faber, J. Jr.; Hitterman, R.L.

1985-11-01

The General Purpose Powder Diffractometer (GPPD), a high resolution (Δd/d = 0.002) time-of-flight instrument, exhibits a resolution function that is almost independent of d-spacing. Some of the special properties of time-of-flight scattering data obtained at a pulsed neutron source will be discussed. A method is described that transforms wavelength dependent data, obtained at a pulsed neutron source, so that standard structural least-squares analyses can be applied. Several criteria are given to show when these techniques are useful in time-of-flight data analysis. 14 refs., 6 figs., 1 tab

High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

Energy Technology Data Exchange (ETDEWEB)

Pramanick, Abhijit, E-mail: apramani@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Kowloon (Hong Kong); Stoica, Alexandru D.; An, Ke [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

2016-08-29

In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. It is observed that only ∼25% of domains undergo reorientation or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve complex mesoscale phenomena in other functional materials.

A Monte Carlo error simulation applied to calibration-free X-ray diffraction phase analysis

International Nuclear Information System (INIS)

Braun, G.E.

1986-01-01

Quantitative phase analysis of a system of n phases can be effected without the need for calibration standards provided at least n different mixtures of these phases are available. A series of linear equations relating diffracted X-ray intensities, weight fractions and quantitation factors coupled with mass balance relationships can be solved for the unknown weight fractions and factors. Uncertainties associated with the measured X-ray intensities, owing to counting of random X-ray quanta, are used to estimate the errors in the calculated parameters utilizing a Monte Carlo simulation. The Monte Carlo approach can be generalized and applied to any quantitative X-ray diffraction phase analysis method. Two examples utilizing mixtures of CaCO 3 , Fe 2 O 3 and CaF 2 with an α-SiO 2 (quartz) internal standard illustrate the quantitative method and corresponding error analysis. One example is well conditioned; the other is poorly conditioned and, therefore, very sensitive to errors in the measured intensities. (orig.)

Classifying and assembling two-dimensional X-ray laser diffraction patterns of a single particle to reconstruct the three-dimensional diffraction intensity function: resolution limit due to the quantum noise.

Science.gov (United States)

Tokuhisa, Atsushi; Taka, Junichiro; Kono, Hidetoshi; Go, Nobuhiro

2012-05-01

A new two-step algorithm is developed for reconstructing the three-dimensional diffraction intensity of a globular biological macromolecule from many experimentally measured quantum-noise-limited two-dimensional X-ray laser diffraction patterns, each for an unknown orientation. The first step is classification of the two-dimensional patterns into groups according to the similarity of direction of the incident X-rays with respect to the molecule and an averaging within each group to reduce the noise. The second step is detection of common intersecting circles between the signal-enhanced two-dimensional patterns to identify their mutual location in the three-dimensional wavenumber space. The newly developed algorithm enables one to detect a signal for classification in noisy experimental photon-count data with as low as ~0.1 photons per effective pixel. The wavenumber of such a limiting pixel determines the attainable structural resolution. From this fact, the resolution limit due to the quantum noise attainable by this new method of analysis as well as two important experimental parameters, the number of two-dimensional patterns to be measured (the load for the detector) and the number of pairs of two-dimensional patterns to be analysed (the load for the computer), are derived as a function of the incident X-ray intensity and quantities characterizing the target molecule. © 2012 International Union of Crystallography

Resolution limits for wave equation imaging

KAUST Repository

Huang, Yunsong

2014-08-01

Formulas are derived for the resolution limits of migration-data kernels associated with diving waves, primary reflections, diffractions, and multiple reflections. They are applicable to images formed by reverse time migration (RTM), least squares migration (LSM), and full waveform inversion (FWI), and suggest a multiscale approach to iterative FWI based on multiscale physics. That is, at the early stages of the inversion, events that only generate low-wavenumber resolution should be emphasized relative to the high-wavenumber resolution events. As the iterations proceed, the higher-resolution events should be emphasized. The formulas also suggest that inverting multiples can provide some low- and intermediate-wavenumber components of the velocity model not available in the primaries. Finally, diffractions can provide twice or better the resolution than specular reflections for comparable depths of the reflector and diffractor. The width of the diffraction-transmission wavepath is approximately λ at the diffractor location for the diffraction-transmission wavepath. © 2014 Elsevier B.V.

Geometrically necessary dislocation densities in olivine obtained using high-angular resolution electron backscatter diffraction

Energy Technology Data Exchange (ETDEWEB)

Wallis, David, E-mail: davidwa@earth.ox.ac.uk [Department of Earth Sciences, University of Oxford, South Parks Road, Oxford, Oxfordshire, OX1 3AN (United Kingdom); Hansen, Lars N. [Department of Earth Sciences, University of Oxford, South Parks Road, Oxford, Oxfordshire, OX1 3AN (United Kingdom); Ben Britton, T. [Department of Materials, Imperial College London, Royal School of Mines, Exhibition Road, London SW7 2AZ (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford, Oxfordshire, OX1 3PH (United Kingdom)

2016-09-15

Dislocations in geological minerals are fundamental to the creep processes that control large-scale geodynamic phenomena. However, techniques to quantify their densities, distributions, and types over critical subgrain to polycrystal length scales are limited. The recent advent of high-angular resolution electron backscatter diffraction (HR-EBSD), based on diffraction pattern cross-correlation, offers a powerful new approach that has been utilised to analyse dislocation densities in the materials sciences. In particular, HR-EBSD yields significantly better angular resolution (<0.01°) than conventional EBSD (~0.5°), allowing very low dislocation densities to be analysed. We develop the application of HR-EBSD to olivine, the dominant mineral in Earth's upper mantle by testing (1) different inversion methods for estimating geometrically necessary dislocation (GND) densities, (2) the sensitivity of the method under a range of data acquisition settings, and (3) the ability of the technique to resolve a variety of olivine dislocation structures. The relatively low crystal symmetry (orthorhombic) and few slip systems in olivine result in well constrained GND density estimates. The GND density noise floor is inversely proportional to map step size, such that datasets can be optimised for analysing either short wavelength, high density structures (e.g. subgrain boundaries) or long wavelength, low amplitude orientation gradients. Comparison to conventional images of decorated dislocations demonstrates that HR-EBSD can characterise the dislocation distribution and reveal additional structure not captured by the decoration technique. HR-EBSD therefore provides a highly effective method for analysing dislocations in olivine and determining their role in accommodating macroscopic deformation. - Highlights: • Lattice orientation gradients in olivine were measured using HR-EBSD. • The limited number of olivine slip systems enable simple least squares inversion for GND

High resolution electron microscopy and electron diffraction of YBa/sub 2/Cu/sub 3/O/sub 7-x/

International Nuclear Information System (INIS)

Krakow, W.; Shaw, T.M.

1988-01-01

Experimental high resolution electron micrographs and computer simulation experiments have been used to evaluate the visibility of the atomic constituents of YBa/sub 2/Cu/sub 3/O/sub 7-x/. In practice, the detection of oxygen has not been possible in contradiction to that predicted by modelling of perfect crystalline material. Preliminary computer experiments of the electron diffraction patterns when oxygen vacancies are introduced on the Cu-O sheets separating Ba layers show the diffuse streaks characteristic of short range ordering

High Resolution Higher Energy X-ray Microscope for Mesoscopic Materials

International Nuclear Information System (INIS)

Snigireva, I; Snigirev, A

2013-01-01

We developed a novel X-ray microscopy technique to study mesoscopically structured materials, employing compound refractive lenses. The easily seen advantage of lens-based methodology is the possibility to retrieve high resolution diffraction pattern and real-space images in the same experimental setup. Methodologically the proposed approach is similar to the studies of crystals by high resolution transmission electron microscopy. The proposed microscope was applied for studying of mesoscopic materials such as natural and synthetic opals, inverted photonic crystals

X-ray diffraction imaging of biological cells

CERN Document Server

Nakasako, Masayoshi

2018-01-01

In this book, the author describes the development of the experimental diffraction setup and structural analysis of non-crystalline particles from material science and biology. Recent advances in X-ray free electron laser (XFEL)-coherent X-ray diffraction imaging (CXDI) experiments allow for the structural analysis of non-crystalline particles to a resolution of 7 nm, and to a resolution of 20 nm for biological materials. Now XFEL-CXDI marks the dawn of a new era in structural analys of non-crystalline particles with dimensions larger than 100 nm, which was quite impossible in the 20th century. To conduct CXDI experiments in both synchrotron and XFEL facilities, the author has developed apparatuses, named KOTOBUKI-1 and TAKASAGO-6 for cryogenic diffraction experiments on frozen-hydrated non-crystalline particles at around 66 K. At the synchrotron facility, cryogenic diffraction experiments dramatically reduce radiation damage of specimen particles and allow tomography CXDI experiments. In addition, in XFEL ex...

Application of focused-beam flat-sample method to synchrotron powder X-ray diffraction with anomalous scattering effect

International Nuclear Information System (INIS)

Tanaka, M; Katsuya, Y; Matsushita, Y

2013-01-01

The focused-beam flat-sample method (FFM), which is a method for high-resolution and rapid synchrotron X-ray powder diffraction measurements by combination of beam focusing optics, a flat shape sample and an area detector, was applied for diffraction experiments with anomalous scattering effect. The advantages of FFM for anomalous diffraction were absorption correction without approximation, rapid data collection by an area detector and good signal-to-noise ratio data by focusing optics. In the X-ray diffraction experiments of CoFe 2 O 4 and Fe 3 O 4 (By FFM) using X-rays near the Fe K absorption edge, the anomalous scattering effect between Fe/Co or Fe 2+ /Fe 3+ can be clearly detected, due to the change of diffraction intensity. The change of observed diffraction intensity as the incident X-ray energy was consistent with the calculation. The FFM is expected to be a method for anomalous powder diffraction.

Conical diffraction as a versatile building block to implement new imaging modalities for superresolution in fluorescence microscopy

Science.gov (United States)

Fallet, Clément; Caron, Julien; Oddos, Stephane; Tinevez, Jean-Yves; Moisan, Lionel; Sirat, Gabriel Y.; Braitbart, Philippe O.; Shorte, Spencer L.

2014-08-01

We present a new technology for super-resolution fluorescence imaging, based on conical diffraction. Conical diffraction is a linear, singular phenomenon taking place when a polarized beam is diffracted through a biaxial crystal. The illumination patterns generated by conical diffraction are more compact than the classical Gaussian beam; we use them to generate a super-resolution imaging modality. Conical Diffraction Microscopy (CODIM) resolution enhancement can be achieved with any type of objective on any kind of sample preparation and standard fluorophores. Conical diffraction can be used in multiple fashion to create new and disruptive technologies for super-resolution microscopy. This paper will focus on the first one that has been implemented and give a glimpse at what the future of microscopy using conical diffraction could be.

High resolution neutron diffraction crystallographic investigation of Oxide Dispersion Strengthened steels of interest for fusion technology

International Nuclear Information System (INIS)

Coppola, R.; Rodriguez-Carvajal, J.; Wang, M.; Zhang, G.; Zhou, Z.

2014-01-01

High resolution neutron diffraction measurements have been carried out to characterize the crystallographic phases present in different Oxide Dispersion Strengthened (ODS) steels of interest for fusion technology. The different lattice structures, Im3m for the ferritic ODS and Fm3m for the austenitic ODS, are resolved showing line anisotropy effects possibly correlated with differences in dislocation densities and texture. Many contributions from minority phases are detected well above the background noise; none of the expected crystallographic phases, such as M 23 C 6 and including Y 2 O 3 , fits them, but the TiN phase is identified in accordance with results of other microstructural techniques

Hybrid diffractive-refractive optical system design of head-mounted display for augmented reality

Science.gov (United States)

Zhang, Huijuan

2005-02-01

An optical see-through head-mounted display for augmented reality is designed in this paper. Considering the factors, such as the optical performance, the utilization ratios of energy of real world and virtual world, the feelings of users when he wears it and etc., a structure of the optical see-through is adopted. With the characteristics of the particular negative dispersive and the power of realizing random-phase modulation, the diffractive surface is helpful for optical system of reducing weight, simplifying structure and etc., and a diffractive surface is introduced in our optical system. The optical system with 25 mm eye relief, 12 mm exit pupil and 20° (H)x15.4° (V) field-of-view is designed. The utilization ratios of energy of real world and virtual world are 1/4 and 1/2, respectively. The angular resolution of display is 0.27 mrad and it less than that of the minimum of human eyes. The diameter of this system is less than 46mm, and it applies the binocular. This diffractive-refractive optical system of see-through head-mounted display not only satisfies the demands of user"s factors in structure, but also with high resolution, very small chromatic aberration and distortion, and satisfies the need of augmented reality. In the end, the parameters of the diffractive surface are discussed.

High resolution x-ray diffraction analyses of GaN/LiGaO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Matyi, R.J. [Department of Materials Science and Engineering University of Wisconsin, Madison, WI (United States); Doolittle, W.A.; Brown, A.S. [School of Electrical and Computer Engineering Georgia Institute of Technology, Atlanta, GA (United States)

1999-05-21

Lithium gallate (LiGaO{sub 2}) is gaining increasing attention as a potential substrate for the growth of the important semiconductor GaN. In order to better understand this material we have performed high-resolution double- and triple-axis x-ray diffraction analyses of both the starting LiGaO{sub 2} and GaN/LiGaO{sub 2} following epitaxial growth. A high-resolution triple-axis reciprocal space map of the substrate showed a sharp, well-defined crystal truncation rod and a symmetric streak of intensity perpendicular to q{sub 002}, suggesting high structural quality with mosaic spread. Triple-axis scans following GaN growth showed (1) the development of isotropic diffuse scatter around the LiGaO{sub 2} (002) reflection, (2) the presence of a semi-continuous intensity streak between the LiGaO{sub 2} (002) and GaN (0002) reflections, and (3) a compact pattern of diffuse scatter around the GaN (0002) reflection that becomes increasingly anisotropic as the growth temperature is increased. These results suggest that LiGaO{sub 2} permits the epitaxial growth of GaN with structural quality that may be superior to that observed when growth is performed on SiC or Al{sub 2}O{sub 3}. (author)

Crystallization and preliminary X-ray diffraction analysis of a tRNASer acceptor-stem microhelix

International Nuclear Information System (INIS)

Förster, Charlotte; Krauss, Norbert; Brauer, Arnd B. E.; Szkaradkiewicz, Karol; Brode, Svenja; Hennig, Klaus; Fürste, Jens P.; Perbandt, Markus; Betzel, Christian; Erdmann, Volker A.

2006-01-01

In order to investigate tRNA identity elements, an elongator tRNA Ser acceptor-stem helix was crystallized and a data set was collected to 1.8 Å resolution aiming at a comparison with the corresponding region in suppressor tRNA Sec . In order to understand elongator tRNA Ser and suppressor tRNA Sec identity elements, the respective acceptor-stem helices have been synthesized and crystallized in order to analyse and compare their structures in detail at high resolution. The synthesis, crystallization and preliminary X-ray diffraction results for a seven-base-pair tRNA Ser acceptor-stem helix are presented here. Diffraction data were collected to 1.8 Å, applying synchrotron radiation and cryogenic cooling. The crystals belong to the monoclinic space group C2, with unit-cell parameters a = 36.14, b = 38.96, c = 30.81 Å, β = 110.69°

Neutron diffraction studies of glasses

International Nuclear Information System (INIS)

Wright, A.C.

1987-01-01

A survey is given of the application of neutron diffraction to structural studies of oxide and halide glasses. As with crystalline materials, neutron and X-ray diffraction are the major structural probes for glasses and other amorphous solids, particularly in respect of intermediate range order. The glasses discussed mostly have structures which are dominated by a network in which the bonding is predominantly covalent. The examples discussed demonstrate the power of the neutron diffraction technique in the investigation of the structures of inorganic glasses. The best modern diffraction experiments are capable of providing accurate data with high real space resolution, which if used correctly, are an extremely fine filter for the various structural models proposed in the literature. 42 refs

Effect of Boron Doping on High-Resolution X-Ray Diffraction Metrology

Science.gov (United States)

Faheem, M.; Zhang, Y.; Dai, X.

2018-03-01

The effect of boron (B) doping on high-resolution X-ray diffraction (HXRD) metrology has been investigated. Twelve samples of Si1-xGex films were epitaxially grown on Si (100) substrates with different thicknesses, germanium (Ge) concentrations and with/without B dopants. Secondary ion mass spectroscopy (SIMS) and HXRD were employed for measurements of B doping, Ge concentration, strain, and thickness of the layers. The SIMS results show the absence of B in two samples while the rest of the samples have B doping in the range of 8.40 × 1018-8.7 × 1020 atoms/cm3 with Ge concentration of 13.3-55.2 at.%. The HXRD measurements indicate the layers thickness of 7.07-108.13 nm along with Ge concentration of 12.82-49.09 at.%. The difference in the Ge concentration measured by SIMS and HXRD was found to deend on B doping. For the undoped samples, the difference is 0.5 at.% and increases with B doping but with no linear proportionality. The difference in the Ge concentration was 7.11 at.% for the highly B-doped (8.7 × 1020 atoms/cm3) sample. The B doping influences the Si1-xGex structure, causing a change in the lattice parameter and producing tensile strains shifting Si1-xGex peaks towards Si (100) substrate peaks in the HXRD diffraction patterns. As a result, Vegard's law is no longer effective and makes a high impact on the HXRD measurement. The comparison between symmetric (004) and asymmetric (+113, +224) reciprocal space mappings (RSM) showed a slight difference in Ge concentration between the undoped and lower B-doped samples. However, there is a change of 0.21 at.% observed for the highly doped Si1-xGex samples. RSM's (+113) demonstrate the small SiGe peak broadening as B doping increases, which indicates a minor crystal distortion.

Evanescent Properties of Optical Diffraction from 2-Dimensional Hexagonal Photonic Crystals and Their Sensor Applications.

Science.gov (United States)

Liao, Yu-Yang; Chen, Yung-Tsan; Chen, Chien-Chun; Huang, Jian-Jang

2018-04-03

The sensitivity of traditional diffraction grating sensors is limited by the spatial resolution of the measurement setup. Thus, a large space is required to improve sensor performance. Here, we demonstrate a compact hexagonal photonic crystal (PhC) optical sensor with high sensitivity. PhCs are able to diffract optical beams to various angles in azimuthal space. The critical wavelength that satisfies the phase matching or becomes evanescent was used to benchmark the refractive index of a target analyte applied on a PhC sensor. Using a glucose solution as an example, our sensor demonstrated very high sensitivity and a low limit of detection. This shows that the diffraction mechanism of hexagonal photonic crystals can be used for sensors when compact size is a concern.

Determination of the Projected Atomic Potential by Deconvolution of the Auto-Correlation Function of TEM Electron Nano-Diffraction Patterns

Directory of Open Access Journals (Sweden)

Liberato De Caro

2016-11-01

Full Text Available We present a novel method to determine the projected atomic potential of a specimen directly from transmission electron microscopy coherent electron nano-diffraction patterns, overcoming common limitations encountered so far due to the dynamical nature of electron-matter interaction. The projected potential is obtained by deconvolution of the inverse Fourier transform of experimental diffraction patterns rescaled in intensity by using theoretical values of the kinematical atomic scattering factors. This novelty enables the compensation of dynamical effects typical of transmission electron microscopy (TEM experiments on standard specimens with thicknesses up to a few tens of nm. The projected atomic potentials so obtained are averaged on sample regions illuminated by nano-sized electron probes and are in good quantitative agreement with theoretical expectations. Contrary to lens-based microscopy, here the spatial resolution in the retrieved projected atomic potential profiles is related to the finer lattice spacing measured in the electron diffraction pattern. The method has been successfully applied to experimental nano-diffraction data of crystalline centrosymmetric and non-centrosymmetric specimens achieving a resolution of 65 pm.

X-diffraction technique applied for nano system metrology

International Nuclear Information System (INIS)

Kuznetsov, Alexei Yu.; Machado, Rogerio; Robertis, Eveline de; Campos, Andrea P.C.; Archanjo, Braulio S.; Gomes, Lincoln S.; Achete, Carlos A.

2009-01-01

The application of nano materials are fast growing in all industrial sectors, with a strong necessity in nano metrology and normalizing in the nano material area. The great potential of the X-ray diffraction technique in this field is illustrated at the example of metals, metal oxides and pharmaceuticals

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

Energy Technology Data Exchange (ETDEWEB)

Frentrup, Martin, E-mail: frentrup@physik.tu-berlin.de; Wernicke, Tim; Stellmach, Joachim; Kneissl, Michael [Institute of Solid State Physics, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Hatui, Nirupam; Bhattacharya, Arnab [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)

2013-12-07

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.

Development and application of Darwin X-ray diffraction theory for structure and chemical composition determination in multilayered crystals

International Nuclear Information System (INIS)

Wojcik, M.; Gaca, J.; Turos, A.; Strupinski, W.

2000-01-01

The method of investigation of the chemical composition for quaternary heterostructures has been developed. To this end X-ray high resolution diffractometry and RBS methods were applied. This method consists in finding a best fit between experimental diffraction pattern and theoretical one calculated, employing Darwin dynamical diffraction theory for a given model of heterostructure. This procedure was applied to determine the chemical profile in the growth direction for InGaAsP/InP superlattices that were grown by MOCVD technology on 001 InP substrate. The relations between the chemical composition of In x Ga 1-x As y P 1-y layer, its lattice parameter, optoelectronic properties and growth conditions were found. (author)

Anelasticity of olivine single crystals investigated by stress-reduction tests and high-angular resolution electron backscatter diffraction

Science.gov (United States)

Wallis, D.; Hansen, L. N.; Kempton, I.; Wilkinson, A. J.

2017-12-01

Geodynamic phenomena, including glacial isostatic adjustment and postseismic deformation, can involve transient deformation in response to changes in differential stress acting on mantle rocks. As such, rheological models of transient deformation are incorporated in predictions of associated processes, including sea-level rise and stress redistribution after earthquakes. However, experimental constraints on rheological models for transient deformation of mantle materials are sparse. In particular, experiments involving stress reductions have been lacking. Moreover, a material's response to a reduction in stress can provide clues to the microphysical processes controlling deformation. To constrain models of transient deformation of mantle rocks we performed stress-reduction tests on single crystals of olivine at 1250-1300°C. Mechanical and piezoelectric actuators controlled constant initial stress during creep. At various strain intervals stress was reduced near-instantaneously using the piezoelectric actuator, inducing both elastic and anelastic (time-dependent) lengthening of the samples. A range of magnitudes of stress reduction were applied, typically unloading 10-90% of the initial stress. High-angular resolution electron backscatter diffraction (HR-EBSD), based on cross-correlation of diffraction patterns, was used to map dislocation density and elastic strain distributions in the recovered samples. Magnitudes of anelastic back-strain increase with increasing magnitudes of stress reduction and show a marked increase when stress reductions exceed 50% of the initial stress, consistent with previous observations in metals and alloys. This observation is inconsistent with the Burgers rheological model commonly used to describe transient behaviour and suggests that the style of rheological behaviour depends on the magnitude of stress change. HR-EBSD maps reveal that the crystal lattices are smoothly curved and generally lack subgrain boundaries and elastic strain

X-ray micro-diffraction analysis of reconstructed bone at Zr prosthetic surface with sub-micrometre spatial resolution

International Nuclear Information System (INIS)

Cedola, A; Stanic, V; Burghammer, M; Lagomarsino, S; Rustichelli, F; Giardino, R; Aldini, N Nicoli; Fini, M; Komlev, V; Fonzo, S Di

2003-01-01

The purpose of the present investigation is to demonstrate the power of the x-ray micro-diffraction technique in biological studies. In particular the reported experiment concerns the study of the interface between a Zr prosthetic device implanted in a rat femur and the newly-formed bone, with a spatial resolution of 0.5 μm. The obtained results give interesting information on the Zr deformation and on the crystallographic phase, the grain size and the orientation of the new bone. Moreover the study reveals a marked difference in the structure of the reconstructed bone with respect to the native bone, which cannot be appreciated with other techniques. (note)

Relativistic electron diffraction at the UCLA Pegasus photoinjector laboratory

Energy Technology Data Exchange (ETDEWEB)

Musumeci, P. [UCLA Department of Physics and Astronomy, 475 Portola Plaza, Los Angeles, CA 90095-1547 (United States)], E-mail: musumeci@physics.ucla.edu; Moody, J.T.; Scoby, C.M. [UCLA Department of Physics and Astronomy, 475 Portola Plaza, Los Angeles, CA 90095-1547 (United States)

2008-10-15

Electron diffraction holds the promise to yield real-time resolution of atomic motion in an easily accessible environment like a university laboratory at a fraction of the cost of fourth-generation X-ray sources. Currently the limit in time-resolution for conventional electron diffraction is set by how short an electron pulse can be made. A very promising solution to maintain the highest possible beam intensity without excessive pulse broadening from space charge effects is to increase the electron energy to the MeV level where relativistic effects significantly reduce the space charge forces. Rf photoinjectors can in principle deliver up to 10{sup 7}-10{sup 8} electrons packed in bunches of {approx}100-fs length, allowing an unprecedented time resolution and enabling the study of irreversible phenomena by single-shot diffraction patterns. The use of rf photoinjectors as sources for ultrafast electron diffraction has been recently at the center of various theoretical and experimental studies. The UCLA Pegasus laboratory, commissioned in early 2007 as an advanced photoinjector facility, is the only operating system in the country, which has recently demonstrated electron diffraction using a relativistic beam from an rf photoinjector. Due to the use of a state-of-the-art ultrashort photoinjector driver laser system, the beam has been measured to be sub-100-fs long, at least a factor of 5 better than what measured in previous relativistic electron diffraction setups. Moreover, diffraction patterns from various metal targets (titanium and aluminum) have been obtained using the Pegasus beam. One of the main laboratory goals in the near future is to fully develop the rf photoinjector-based ultrafast electron diffraction technique with particular attention to the optimization of the working point of the photoinjector in a low-charge ultrashort pulse regime, and to the development of suitable beam diagnostics.

Relativistic electron diffraction at the UCLA Pegasus photoinjector laboratory

International Nuclear Information System (INIS)

Musumeci, P.; Moody, J.T.; Scoby, C.M.

2008-01-01

Electron diffraction holds the promise to yield real-time resolution of atomic motion in an easily accessible environment like a university laboratory at a fraction of the cost of fourth-generation X-ray sources. Currently the limit in time-resolution for conventional electron diffraction is set by how short an electron pulse can be made. A very promising solution to maintain the highest possible beam intensity without excessive pulse broadening from space charge effects is to increase the electron energy to the MeV level where relativistic effects significantly reduce the space charge forces. Rf photoinjectors can in principle deliver up to 10 7 -10 8 electrons packed in bunches of ∼100-fs length, allowing an unprecedented time resolution and enabling the study of irreversible phenomena by single-shot diffraction patterns. The use of rf photoinjectors as sources for ultrafast electron diffraction has been recently at the center of various theoretical and experimental studies. The UCLA Pegasus laboratory, commissioned in early 2007 as an advanced photoinjector facility, is the only operating system in the country, which has recently demonstrated electron diffraction using a relativistic beam from an rf photoinjector. Due to the use of a state-of-the-art ultrashort photoinjector driver laser system, the beam has been measured to be sub-100-fs long, at least a factor of 5 better than what measured in previous relativistic electron diffraction setups. Moreover, diffraction patterns from various metal targets (titanium and aluminum) have been obtained using the Pegasus beam. One of the main laboratory goals in the near future is to fully develop the rf photoinjector-based ultrafast electron diffraction technique with particular attention to the optimization of the working point of the photoinjector in a low-charge ultrashort pulse regime, and to the development of suitable beam diagnostics

Relativistic electron diffraction at the UCLA Pegasus photoinjector laboratory.

Science.gov (United States)

Musumeci, P; Moody, J T; Scoby, C M

2008-10-01

Electron diffraction holds the promise to yield real-time resolution of atomic motion in an easily accessible environment like a university laboratory at a fraction of the cost of fourth-generation X-ray sources. Currently the limit in time-resolution for conventional electron diffraction is set by how short an electron pulse can be made. A very promising solution to maintain the highest possible beam intensity without excessive pulse broadening from space charge effects is to increase the electron energy to the MeV level where relativistic effects significantly reduce the space charge forces. Rf photoinjectors can in principle deliver up to 10(7)-10(8) electrons packed in bunches of approximately 100-fs length, allowing an unprecedented time resolution and enabling the study of irreversible phenomena by single-shot diffraction patterns. The use of rf photoinjectors as sources for ultrafast electron diffraction has been recently at the center of various theoretical and experimental studies. The UCLA Pegasus laboratory, commissioned in early 2007 as an advanced photoinjector facility, is the only operating system in the country, which has recently demonstrated electron diffraction using a relativistic beam from an rf photoinjector. Due to the use of a state-of-the-art ultrashort photoinjector driver laser system, the beam has been measured to be sub-100-fs long, at least a factor of 5 better than what measured in previous relativistic electron diffraction setups. Moreover, diffraction patterns from various metal targets (titanium and aluminum) have been obtained using the Pegasus beam. One of the main laboratory goals in the near future is to fully develop the rf photoinjector-based ultrafast electron diffraction technique with particular attention to the optimization of the working point of the photoinjector in a low-charge ultrashort pulse regime, and to the development of suitable beam diagnostics.

High resolution solar observations

International Nuclear Information System (INIS)

Title, A.

1985-01-01

Currently there is a world-wide effort to develop optical technology required for large diffraction limited telescopes that must operate with high optical fluxes. These developments can be used to significantly improve high resolution solar telescopes both on the ground and in space. When looking at the problem of high resolution observations it is essential to keep in mind that a diffraction limited telescope is an interferometer. Even a 30 cm aperture telescope, which is small for high resolution observations, is a big interferometer. Meter class and above diffraction limited telescopes can be expected to be very unforgiving of inattention to details. Unfortunately, even when an earth based telescope has perfect optics there are still problems with the quality of its optical path. The optical path includes not only the interior of the telescope, but also the immediate interface between the telescope and the atmosphere, and finally the atmosphere itself

Energy-dispersive X-ray diffraction beamline at Indus-2 synchrotron ...

Indian Academy of Sciences (India)

structure of materials under various thermodynamics conditions, viz. temperature .... design to incorporate KB mirror system when it becomes available. .... peak analysis of diffraction peaks show that diffraction resolution is also ∼2% which is.

An optical super-microscope for far-field, real-time imaging beyond the diffraction limit.

Science.gov (United States)

Wong, Alex M H; Eleftheriades, George V

2013-01-01

Optical microscopy suffers from a fundamental resolution limitation arising from the diffractive nature of light. While current solutions to sub-diffraction optical microscopy involve combinations of near-field, non-linear and fine scanning operations, we hereby propose and demonstrate the optical super-microscope (OSM) - a superoscillation-based linear imaging system with far-field working and observation distances - which can image an object in real-time and with sub-diffraction resolution. With our proof-of-principle prototype we report a point spread function with a spot size clearly reduced from the diffraction limit, and demonstrate corresponding improvements in two-point resolution experiments. Harnessing a new understanding of superoscillations, based on antenna array theory, our OSM achieves far-field, sub-diffraction optical imaging of an object without the need for fine scanning, data post-processing or object pre-treatment. Hence the OSM can be used in a wide variety of imaging applications beyond the diffraction limit, including real-time imaging of moving objects.

X-ray photoelectron spectroscopy, high-resolution X-ray diffraction ...

Indian Academy of Sciences (India)

the crystalline quality through full-width at half-maximum values. .... angular divergence of ∆α = 12 arc sec. X-rays generated from the monochromator were diffracted from (0 0 6) LiNbO3 atomic planes with the (+, −, −, +, +) geometry. [8].

High Resolution Melting (HRM) applied to wine authenticity.

Science.gov (United States)

Pereira, Leonor; Gomes, Sónia; Castro, Cláudia; Eiras-Dias, José Eduardo; Brazão, João; Graça, António; Fernandes, José R; Martins-Lopes, Paula

2017-02-01

Wine authenticity methods are in increasing demand mainly in Denomination of Origin designations. The DNA-based methodologies are a reliable means of tracking food/wine varietal composition. The main aim of this work was the study of High Resolution Melting (HRM) application as a screening method for must and wine authenticity. Three sample types (leaf, must and wine) were used to validate the three developed HRM assays (Vv1-705bp; Vv2-375bp; and Vv3-119bp). The Vv1 HRM assay was only successful when applied to leaf and must samples. The Vv2 HRM assay successfully amplified all sample types, allowing genotype discrimination based on melting temperature values. The smallest amplicon, Vv3, produced a coincident melting curve shape in all sample types (leaf and wine) with corresponding genotypes. This study presents sensitive, rapid and efficient HRM assays applied for the first time to wine samples suitable for wine authenticity purposes. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

Energy Technology Data Exchange (ETDEWEB)

Takano, Hidekazu, E-mail: htakano@sci.u-hyogo.ac.jp; Konishi, Shigeki; Shimomura, Sho; Azuma, Hiroaki; Tsusaka, Yoshiyuki; Kagoshima, Yasushi [Center for Novel Material Science under Multi-Extreme Conditions, Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297 (Japan)

2014-01-13

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.

Tomography with energy dispersive diffraction

Science.gov (United States)

Stock, S. R.; Okasinski, J. S.; Woods, R.; Baldwin, J.; Madden, T.; Quaranta, O.; Rumaiz, A.; Kuczewski, T.; Mead, J.; Krings, T.; Siddons, P.; Miceli, A.; Almer, J. D.

2017-09-01

X-ray diffraction can be used as the signal for tomographic reconstruction and provides a cross-sectional map of the crystallographic phases and related quantities. Diffraction tomography has been developed over the last decade using monochromatic x-radiation and an area detector. This paper reports tomographic reconstruction with polychromatic radiation and an energy sensitive detector array. The energy dispersive diffraction (EDD) geometry, the instrumentation and the reconstruction process are described and related to the expected resolution. Results of EDD tomography are presented for two samples containing hydroxyapatite (hAp). The first is a 3D-printed sample with an elliptical crosssection and contains synthetic hAp. The second is a human second metacarpal bone from the Roman-era cemetery at Ancaster, UK and contains bio-hAp which may have been altered by diagenesis. Reconstructions with different diffraction peaks are compared. Prospects for future EDD tomography are also discussed.

A three-dimensional polarization domain retrieval method from electron diffraction data

International Nuclear Information System (INIS)

Pennington, Robert S.; Koch, Christoph T.

2015-01-01

We present an algorithm for retrieving three-dimensional domains of picometer-scale shifts in atomic positions from electron diffraction data, and apply it to simulations of ferroelectric polarization in BaTiO 3 . Our algorithm successfully and correctly retrieves polarization domains in which the Ti atom positions differ by less than 3 pm (0.4% of the unit cell diagonal distance) with 5 and 10 nm depth resolution along the beam direction, and we also retrieve unit cell strain, corresponding to tetragonal-to-cubic unit cell distortions, for 10 nm domains. Experimental applicability is also discussed. - Highlights: • We show a retrieval method for ferroelectric polarization from TEM diffraction data. • Simulated strain and polarization variations along the beam direction are retrieved. • This method can be used for 3D strain and polarization mapping without specimen tilt

Optical cryptography topology based on a three-dimensional particle-like distribution and diffractive imaging.

Science.gov (United States)

Chen, Wen; Chen, Xudong

2011-05-09

In recent years, coherent diffractive imaging has been considered as a promising alternative for information retrieval instead of conventional interference methods. Coherent diffractive imaging using the X-ray light source has opened up a new research perspective for the measurement of non-crystalline and biological specimens, and can achieve unprecedentedly high resolutions. In this paper, we show how a three-dimensional (3D) particle-like distribution and coherent diffractive imaging can be applied for a study of optical cryptography. An optical multiple-random-phase-mask encoding approach is used, and the plaintext is considered as a series of particles distributed in a 3D space. A topology concept is also introduced into the proposed optical cryptosystem. During image decryption, a retrieval algorithm is developed to extract the plaintext from the ciphertexts. In addition, security and advantages of the proposed optical cryptography topology are also analyzed. © 2011 Optical Society of America

Neutron-diffraction measurements of stress

International Nuclear Information System (INIS)

Holden, T.M.

1995-01-01

Experiments on bent steam-generator tubing have shown that different diffraction peaks, (1 1 1) or (0 0 2), give different results for the sign and magnitude of the stress and strain. From an engineering standpoint, the macroscopic stress field cannot be both positive and negative in the same volume, so this difference must be due to intergranular effects superposed on the macroscopic stress field. Uniaxial tensile test experiments with applied stresses beyond the 0.2% offset yield stress, help to understand this anomaly, by demonstrating the different strain response to applied stress along different crystallographic axes.When Zr-alloys are cooled from elevated temperatures, thermal stresses always develop, so that it is difficult to obtain a stress-free lattice spacing from which residual strains may be derived. From measurements of the temperature dependence of lattice spacing, the temperature at which the thermal stresses vanish may be found. From the lattice spacing at this temperature the stress-free lattice spacings at room temperature can be obtained readily.To interpret the measured strains in terms of macroscopic stress fields it is necessary to know the diffraction elastic constants. Neutron diffraction measurements of the diffraction elastic constants in a ferritic steel for the [1 1 0], [0 0 2] and [2 2 2] crystallographic axes, in directions parallel and perpendicular to the applied stress are compared with theoretical diffraction elastic constants. (orig.)

X-ray diffractometry with spatial resolution

International Nuclear Information System (INIS)

Zeiner, K.

1981-04-01

X-ray diffractometry is one of the extensively used methods for investigation of the crystalline structure of materials. Line shape and position of a diffracted line are influenced by grain size, deformation and stress. Spatial resolution of one of these specimen characteristics is usually achieved by point-focused X-ray beams and subsequently analyzing different specimen positions. This work uses the method of image reconstruction from projections for the generation of distribution maps. Additional experimental requirements when using a conventional X-ray goniometer are a specimen scanning unit and a computer. The scanning unit repeatedly performs a number of translation steps followed by a rotation step in a fixed X-ray tube/detector (position sensitive detector) arrangement. At each specimen position a diffraction line is recorded using a line-shaped X-ray beam. This network of diffraction lines (showing line resolution) is mathematically converted to a distribution map of diffraction lines and going thus a point resolution. Specimen areas of up to several cm 2 may be analyzed with a linear resolution of 0.1 to 1 mm. Image reconstruction from projections must be modified for generation of ''function-maps''. This theory is discussed and demonstrated by computer simulations. Diffraction line analysis is done for specimen deformation using a deconvolution procedure. The theoretical considerations are experimentally verified. (author)

Calcium binding in α-amylases: An X-ray diffraction study at 2.1-angstrom resolution of two enzymes from Aspergillus

International Nuclear Information System (INIS)

Boel, E.; Jensen, V.J.; Petersen, S.B.; Thim, L.; Woldike, H.F.; Brady, L.; Brzozowski, AM.; Derewenda, Z.; Dodson, G.G.; Swift, H.

1990-01-01

X-ray diffraction analysis (at 2.1-angstrom resolution) of an acid alpha-amylase from Aspergillus niger allowed a detailed description of the stereochemistry of the calcium-binding sites. The primary site (which is essential in maintaining proper folding around the active site) contains a tightly bound Ca 2+ with an unusually high number of eight ligands. A secondary binding site was identified at the bottom of the substrate binding cleft; it involves the residues presumed to play a catalytic role (Asp206 and Glu230). This explains the inhibitory effect of calcium observed at higher concentrations. Neutral Aspergillus oryzae (TAKA) α-amylase was also refined in a new crystal at 2.1-angstrom resolution. The structure of this homologous (over 80%) enzyme and addition kinetic studies support all the structural conclusions regarding both calcium-binding sites

Quantitative analysis of localized stresses in irradiated stainless steels using high resolution electron backscatter diffraction and molecular dynamics modeling

International Nuclear Information System (INIS)

Johnson, D.C.; Kuhr, B.; Farkas, D.; Was, G.S.

2016-01-01

Quantitative measurements of stress near dislocation channel–grain boundary (DC–GB) interaction sites were made using high resolution electron backscatter diffraction (HREBSD) and have been compared with molecular dynamics (MD) simulations. Tensile stress normal to the grain boundary was significantly elevated at discontinuous DC–GB intersections with peak magnitudes roughly an order of magnitude greater than at sites where slip transfer occurred. These results constitute the first measurement of stress amplification at DC–GB intersections and provide support to the theory that high normal stress at the grain boundary may be a key driver for the initiation of irradiation assisted stress corrosion cracks.

Beam modulation: A novel ToF-technique for high resolution diffraction at the Beamline for European Materials Engineering Research (BEER)

Science.gov (United States)

Rouijaa, M.; Kampmann, R.; Šaroun, J.; Fenske, J.; Beran, P.; Müller, M.; Lukáš, P.; Schreyer, A.

2018-05-01

The Beamline for European Materials Engineering Research (BEER) is under construction at the European Spallation Source (ESS) in Lund, Sweden. A basic requirement on BEER is to make best use of the long ESS pulse (2.86 ms) for engineering investigations. High-resolution diffraction, however, demands timing resolution up to 0.1% corresponding to a pulse length down to about 70 μs for the case of thermal neutrons (λ ∼ 1.8 Å). Such timing resolution can be achieved by pulse shaping techniques cutting a short section out of the long pulse, and thus paying for resolution by strong loss of intensity. In contrast to this, BEER proposes a novel operation mode called pulse modulation technique based on a new chopper design, which extracts several short pulses out of the long ESS pulse, and hence leads to a remarkable gain of intensity compared to nowadays existing conventional pulse shaping techniques. The potential of the new technique can be used with full advantage for investigating strains and textures of highly symmetric materials. Due to its instrument design and the high brilliance of the ESS pulse, BEER is expected to become the European flagship for engineering research for strain mapping and texture analysis.

Application of ray tracing towards a correction for refracting effects in computed tomography with diffracting sources

International Nuclear Information System (INIS)

Andersen, A.H.

1983-01-01

Ray tracing methods are investigated in forward and inverse processes and applied for image restoration and resolution enhancement in computed tomography with diffracting sources. Within the geometrical optics approximation for a given refractive field, a mathematical model for the forward propagation and inverse reconstruction process is presented. For a finite set of rays in a discrete image representation, an algebraic reconstruction technique is derived which is analogous to the inverse process for a continuum of rays. The geometrical theory of diffraction is invoked to describe ray patterns arising from the introduction of object discontinuity surfaces. We have compared the performance of existing recursive ray tracing techniques for the reconstruction of objects exhibiting discontinuity boundaries. A novel ray tracing and reconstruction technique is presented which enjoys significant computational savings over traditional implementations incorporating tedious ray linking procedures. Simulation studies illustrate the macro-structural distortion and loss of fine resolution when ray refraction is unaccounted for. Restoration and resolution enhancement is achieved with a recursive ray tracing approach. Successful experimental studies with tissue equivalent phantoms are presented. The comparison of simulation and experimental results demonstrated the reasonable assumption of the geometrical optics approximation. Simulation results for larger refractive deviations are encouraging

When holography meets coherent diffraction imaging.

Science.gov (United States)

Latychevskaia, Tatiana; Longchamp, Jean-Nicolas; Fink, Hans-Werner

2012-12-17

The phase problem is inherent to crystallographic, astronomical and optical imaging where only the intensity of the scattered signal is detected and the phase information is lost and must somehow be recovered to reconstruct the object's structure. Modern imaging techniques at the molecular scale rely on utilizing novel coherent light sources like X-ray free electron lasers for the ultimate goal of visualizing such objects as individual biomolecules rather than crystals. Here, unlike in the case of crystals where structures can be solved by model building and phase refinement, the phase distribution of the wave scattered by an individual molecule must directly be recovered. There are two well-known solutions to the phase problem: holography and coherent diffraction imaging (CDI). Both techniques have their pros and cons. In holography, the reconstruction of the scattered complex-valued object wave is directly provided by a well-defined reference wave that must cover the entire detector area which often is an experimental challenge. CDI provides the highest possible, only wavelength limited, resolution, but the phase recovery is an iterative process which requires some pre-defined information about the object and whose outcome is not always uniquely-defined. Moreover, the diffraction patterns must be recorded under oversampling conditions, a pre-requisite to be able to solve the phase problem. Here, we report how holography and CDI can be merged into one superior technique: holographic coherent diffraction imaging (HCDI). An inline hologram can be recorded by employing a modified CDI experimental scheme. We demonstrate that the amplitude of the Fourier transform of an inline hologram is related to the complex-valued visibility, thus providing information on both, the amplitude and the phase of the scattered wave in the plane of the diffraction pattern. With the phase information available, the condition of oversampling the diffraction patterns can be relaxed, and the

Powder diffraction

Energy Technology Data Exchange (ETDEWEB)

Hart, M.

1995-12-31

the importance of x-ray powder diffraction as an analytical tool for phase identification of materials was first pointed out by Debye and Scherrer in Germany and, quite independently, by Hull in the US. Three distinct periods of evolution lead to ubiquitous application in many fields of science and technology. In the first period, until the mid-1940`s, applications were and developed covering broad categories of materials including inorganic materials, minerals, ceramics, metals, alloys, organic materials and polymers. During this formative period, the concept of quantitative phase analysis was demonstrated. In the second period there followed the blossoming of technology and commercial instruments became widely used. The history is well summarized by Parrish and by Langford and Loueer. By 1980 there were probably 10,000 powder diffractometers in routine use, making it the most widely used of all x-ray crystallographic instruments. In the third, present, period data bases became firmly established and sophisticated pattern fitting and recognition software made many aspects of powder diffraction analysis routine. High resolution, tunable powder diffractometers were developed at sources of synchrotron radiation. The tunability of the spectrum made it possible to exploit all the subtleties of x-ray spectroscopy in diffraction experiments.

Powder diffraction

International Nuclear Information System (INIS)

Hart, M.

1995-01-01

The importance of x-ray powder diffraction as an analytical tool for phase identification of materials was first pointed out by Debye and Scherrer in Germany and, quite independently, by Hull in the US. Three distinct periods of evolution lead to ubiquitous application in many fields of science and technology. In the first period, until the mid-1940's, applications were and developed covering broad categories of materials including inorganic materials, minerals, ceramics, metals, alloys, organic materials and polymers. During this formative period, the concept of quantitative phase analysis was demonstrated. In the second period there followed the blossoming of technology and commercial instruments became widely used. The history is well summarized by Parrish and by Langford and Loueer. By 1980 there were probably 10,000 powder diffractometers in routine use, making it the most widely used of all x-ray crystallographic instruments. In the third, present, period data bases became firmly established and sophisticated pattern fitting and recognition software made many aspects of powder diffraction analysis routine. High resolution, tunable powder diffractometers were developed at sources of synchrotron radiation. The tunability of the spectrum made it possible to exploit all the subtleties of x-ray spectroscopy in diffraction experiments

Time-resolved measurements with streaked diffraction patterns from electrons generated in laser plasma wakefield

Science.gov (United States)

He, Zhaohan; Nees, John; Hou, Bixue; Krushelnick, Karl; Thomas, Alec; Beaurepaire, Benoît; Malka, Victor; Faure, Jérôme

2013-10-01

Femtosecond bunches of electrons with relativistic to ultra-relativistic energies can be robustly produced in laser plasma wakefield accelerators (LWFA). Scaling the electron energy down to sub-relativistic and MeV level using a millijoule laser system will make such electron source a promising candidate for ultrafast electron diffraction (UED) applications due to the intrinsic short bunch duration and perfect synchronization with the optical pump. Recent results of electron diffraction from a single crystal gold foil, using LWFA electrons driven by 8-mJ, 35-fs laser pulses at 500 Hz, will be presented. The accelerated electrons were collimated with a solenoid magnetic lens. By applying a small-angle tilt to the magnetic lens, the diffraction pattern can be streaked such that the temporal evolution is separated spatially on the detector screen after propagation. The observable time window and achievable temporal resolution are studied in pump-probe measurements of photo-induced heating on the gold foil.

Elements of seismic imaging and velocity analysis – Forward modeling and diffraction analysis of conventional seismic data from the North Sea

DEFF Research Database (Denmark)

Montazeri, Mahboubeh

2018-01-01

comprises important oil and gas reservoirs. By application of well-established conventional velocity analysis methods and high-quality diffraction imaging techniques, this study aims to increase the resolution and the image quality of the seismic data. In order to analyze seismic wave propagation......-outs and salt delineations, which can be extracted from the diffractions. The potential of diffraction imaging techniques was studied for 2D seismic stacked data from the North Sea. In this approach, the applied plane-wave destruction method was successful in order to suppress the reflections from the stacked....... This improved seismic imaging is demonstrated for a salt structure as well as for Overpressured Shale structures and the Top Chalk of the North Sea....

Crystallization and preliminary X-ray diffraction analysis of West Nile virus

International Nuclear Information System (INIS)

Kaufmann, Bärbel; Plevka, Pavel; Kuhn, Richard J.; Rossmann, Michael G.

2010-01-01

Crystals of infectious West Nile virus were obtained and diffracted at best to about 25 Å resolution. Preliminary analysis of the diffraction pattern suggested tight hexagonal packing of the intact virus. West Nile virus, a human pathogen, is closely related to other medically important flaviviruses of global impact such as dengue virus. The infectious virus was purified from cell culture using polyethylene glycol (PEG) precipitation and density-gradient centrifugation. Thin amorphously shaped crystals of the lipid-enveloped virus were grown in quartz capillaries equilibrated by vapor diffusion. Crystal diffraction extended at best to a resolution of about 25 Å using synchrotron radiation. A preliminary analysis of the diffraction images indicated that the crystals had unit-cell parameters a ≃ b ≃ 480 Å, γ = 120°, suggesting a tight hexagonal packing of one virus particle per unit cell

Linear mixing model applied to coarse spatial resolution data from multispectral satellite sensors

Science.gov (United States)

Holben, Brent N.; Shimabukuro, Yosio E.

1993-01-01

A linear mixing model was applied to coarse spatial resolution data from the NOAA Advanced Very High Resolution Radiometer. The reflective component of the 3.55-3.95 micron channel was used with the two reflective channels 0.58-0.68 micron and 0.725-1.1 micron to run a constrained least squares model to generate fraction images for an area in the west central region of Brazil. The fraction images were compared with an unsupervised classification derived from Landsat TM data acquired on the same day. The relationship between the fraction images and normalized difference vegetation index images show the potential of the unmixing techniques when using coarse spatial resolution data for global studies.

Structure of La2Cu2O5 by high-resolution synchrotron X-ray powder diffraction

International Nuclear Information System (INIS)

La Placa, S.J.; Bringley, J.F.; Scott, B.A.; Cox, D.E.

1993-01-01

Dicopper(II) dilanthanum pentaoxide, La 2 Cu 2 O 5 , M r =484.90, orthorhombic, Pbam. At T=300 K: a=5.5490(1), b=10.4774(2), c=3.8796(1) A, V=225.557(8) A 3 , Z=2, D x =7.139 g cm -3 , λ=1.2000 A. Final R I =6.20, R p =14.6 and R wp =20.61%, 124 independent reflections observed. The structure has been refined from high-resolution synchrotron X-ray powder diffraction data using the Rietveld method. It is of the oxygen-defect perovskite type and is composed entirely of corner-shared CuO 5 square pyramids, which share oxygen vacancies forming vacancy tunnels along the c axis. The La atoms reside at a perovskite-like A-site and are tenfold coordinated by oxygen. (orig.)

Fundamental parameters approach applied to focal construct geometry for X-ray diffraction

International Nuclear Information System (INIS)

Rogers, K.; Evans, P.; Prokopiou, D.; Dicken, A.; Godber, S.; Rogers, J.

2012-01-01

A novel geometry for the acquisition of powder X-ray diffraction data, referred to as focal construct geometry (FCG), is presented. Diffraction data obtained by FCG have been shown to possess significantly enhanced intensity due to the hollow tube beam arrangement utilized. In contrast to conventional diffraction, the detector is translated to collect images along a primary axis and record the location of Bragg maxima. These high intensity condensation foci are unique to FCG and appear due to the convergence of Debye cones at single points on the primary axis. This work focuses on a two dimensional, fundamental parameter's approach to simulate experimental data and subsequently aid with interpretation. This convolution method is shown to favorably reproduce the experimental diffractograms and can also accommodate preferred orientation effects in some circumstances.

Diffraction analysis of the microstructure of materials

CERN Document Server

Scardi, Paolo

2004-01-01

Diffraction Analysis of the Microstructure of Materials provides an overview of diffraction methods applied to the analysis of the microstructure of materials. Since crystallite size and the presence of lattice defects have a decisive influence on the properties of many engineering materials, information about this microstructure is of vital importance in developing and assessing materials for practical applications. The most powerful and usually non-destructive evaluation techniques available are X-ray and neutron diffraction. The book details, among other things, diffraction-line broadening methods for determining crystallite size and atomic-scale strain due, e.g. to dislocations, and methods for the analysis of residual (macroscale) stress. The book assumes only a basic knowledge of solid-state physics and supplies readers sufficient information to apply the methods themselves.

Super-resolution fluorescence microscopy by stepwise optical saturation

Science.gov (United States)

Zhang, Yide; Nallathamby, Prakash D.; Vigil, Genevieve D.; Khan, Aamir A.; Mason, Devon E.; Boerckel, Joel D.; Roeder, Ryan K.; Howard, Scott S.

2018-01-01

Super-resolution fluorescence microscopy is an important tool in biomedical research for its ability to discern features smaller than the diffraction limit. However, due to its difficult implementation and high cost, the super-resolution microscopy is not feasible in many applications. In this paper, we propose and demonstrate a saturation-based super-resolution fluorescence microscopy technique that can be easily implemented and requires neither additional hardware nor complex post-processing. The method is based on the principle of stepwise optical saturation (SOS), where M steps of raw fluorescence images are linearly combined to generate an image with a M-fold increase in resolution compared with conventional diffraction-limited images. For example, linearly combining (scaling and subtracting) two images obtained at regular powers extends the resolution by a factor of 1.4 beyond the diffraction limit. The resolution improvement in SOS microscopy is theoretically infinite but practically is limited by the signal-to-noise ratio. We perform simulations and experimentally demonstrate super-resolution microscopy with both one-photon (confocal) and multiphoton excitation fluorescence. We show that with the multiphoton modality, the SOS microscopy can provide super-resolution imaging deep in scattering samples. PMID:29675306

Adaptable Diffraction Gratings With Wavefront Transformation

Science.gov (United States)

Iazikov, Dmitri; Mossberg, Thomas W.; Greiner, Christoph M.

2010-01-01

Diffraction gratings are optical components with regular patterns of grooves, which angularly disperse incoming light by wavelength. Traditional diffraction gratings have static planar, concave, or convex surfaces. However, if they could be made so that they can change the surface curvature at will, then they would be able to focus on particular segments, self-calibrate, or perform fine adjustments. This innovation creates a diffraction grating on a deformable surface. This surface could be bent at will, resulting in a dynamic wavefront transformation. This allows for self-calibration, compensation for aberrations, enhancing image resolution in a particular area, or performing multiple scans using different wavelengths. A dynamic grating gives scientists a new ability to explore wavefronts from a variety of viewpoints.

Duality in diffraction dissociations

International Nuclear Information System (INIS)

Santoro, Alberto.

1977-01-01

Diffractive dissociations (aN→a*πN) are naturally explained and a model that accounts for the three-variable correlation (mass-transfer-Jackson angle correlation) is presented. This model takes into account the three possible exchanges: t (pion), u(a*) and s(a) channel exchanger. The physical consequences of the model are: a strong mass-slope correlation due to the zeros of the amplitude, a factorization of diffractive dissociations (factorization of the Pomeron), the possibility of extending this model to double diffractive dissociation and diffraction by nuclei. This model was applied to the NN→NπN reaction. Using the usual parameters of the Deck model, a comparison is made with experiments for all available distributions. the strong slope of the peak at 1400 MeV is naturally explained [fr

Low temperature electron microscopy and electron diffraction of the purple membrane of Halobacterium halobium

International Nuclear Information System (INIS)

Hayward, S.B.

1978-09-01

The structure of the purple membrane of Halobacterium halobium was studied by high resolution electron microscopy and electron diffraction, primarily at low temperature. The handedness of the purple membrane diffraction pattern with respect to the cell membrane was determined by electron diffraction of purple membranes adsorbed to polylysine. A new method of preparing frozen specimens was used to preserve the high resolution order of the membranes in the electron microscope. High resolution imaging of glucose-embedded purple membranes at room temperature was used to relate the orientation of the diffraction pattern to the absolute orientation of the structure of the bacteriorhodopsin molecule. The purple membrane's critical dose for electron beam-induced damage was measured at room temperature and at -120 0 C, and was found to be approximately five times greater at -120 0 C. Because of this decrease in radiation sensitivity, imaging of the membrane at low temperature should result in an increased signal-to-noise ratio, and thus better statistical definition of the phases of weak reflections. Higher resolution phases may thus be extracted from images than can be determined by imaging at room temperature. To achieve this end, a high resolution, liquid nitrogen-cooled stage was built for the JEOL-100B. Once the appropriate technology for taking low dose images at very high resolution has been developed, this stage will hopefully be used to determine the high resolution structure of the purple membrane

On the use of logarithmic scales for analysis of diffraction data.

Science.gov (United States)

Urzhumtsev, Alexandre; Afonine, Pavel V; Adams, Paul D

2009-12-01

Predictions of the possible model parameterization and of the values of model characteristics such as R factors are important for macromolecular refinement and validation protocols. One of the key parameters defining these and other values is the resolution of the experimentally measured diffraction data. The higher the resolution, the larger the number of diffraction data N(ref), the larger its ratio to the number N(at) of non-H atoms, the more parameters per atom can be used for modelling and the more precise and detailed a model can be obtained. The ratio N(ref)/N(at) was calculated for models deposited in the Protein Data Bank as a function of the resolution at which the structures were reported. The most frequent values for this distribution depend essentially linearly on resolution when the latter is expressed on a uniform logarithmic scale. This defines simple analytic formulae for the typical Matthews coefficient and for the typically allowed number of parameters per atom for crystals diffracting to a given resolution. This simple dependence makes it possible in many cases to estimate the expected resolution of the experimental data for a crystal with a given Matthews coefficient. When expressed using the same logarithmic scale, the most frequent values for R and R(free) factors and for their difference are also essentially linear across a large resolution range. The minimal R-factor values are practically constant at resolutions better than 3 A, below which they begin to grow sharply. This simple dependence on the resolution allows the prediction of expected R-factor values for unknown structures and may be used to guide model refinement and validation.

Characterisation of the incident beam and current diffraction capabilities on the VESUVIO spectrometer

Science.gov (United States)

Romanelli, G.; Krzystyniak, M.; Senesi, R.; Raspino, D.; Boxall, J.; Pooley, D.; Moorby, S.; Schooneveld, E.; Rhodes, N. J.; Andreani, C.; Fernandez-Alonso, F.

2017-09-01

The VESUVIO spectrometer at the ISIS pulsed neutron and muon source is a unique instrument amongst those available at neutron facilities. This is the only inverted-geometry neutron spectrometer accessing values of energy and wavevector transfer above tens of eV and {\\mathringA}-1 , respectively, and where deep inelastic neutron scattering experiments are routinely performed. As such, the procedure at the base of the technique has been previously described in an article published by this journal (Mayers and Reiter 2012 Meas. Sci. Technol. 23 045902). The instrument has recently witnessed an upsurge of interest due to a new trend to accommodate, within a single experiment, neutron diffraction and transmission measurements in addition to deep inelastic neutron scattering. This work presents a broader description of the instrument following these recent developments. In particular, we assess the absolute intensity and two-dimensional profile of the incident neutron beam and the capabilities of the backscattering diffraction banks. All results are discussed in the light of recent changes to the moderator viewed by the instrument. We find that VESUVIO has to be considered a high-resolution diffractometer as much as other diffractometers at ISIS, with a resolution as high as 2× 10-3 in backscattering. Also, we describe the extension of the wavelength range of the instrument to include lower neutron energies for diffraction measurements, an upgrade that could be readily applied to other neutron instruments as well.

New software to model energy dispersive X-ray diffraction in polycrystalline materials

Energy Technology Data Exchange (ETDEWEB)

Ghammraoui, B., E-mail: bahaa.ghammraoui@cea.fr [CEA-Leti, MINATEC Campus, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Tabary, J. [CEA-Leti, MINATEC Campus, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Pouget, S. [CEA-INAC Sciences de la matieres, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Paulus, C.; Moulin, V.; Verger, L. [CEA-Leti, MINATEC Campus, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Duvauchelle, Ph. [CNDRI-Insa Lyon, Universite de Lyon, F-69621, Villeurbanne Cedex (France)

2012-02-01

Detection of illicit materials, such as explosives or drugs, within mixed samples is a major issue, both for general security and as part of forensic analyses. In this paper, we describe a new code simulating energy dispersive X-ray diffraction patterns in polycrystalline materials. This program, SinFullscat, models diffraction of any object in any diffractometer system taking all physical phenomena, including amorphous background, into account. Many system parameters can be tuned: geometry, collimators (slit and cylindrical), sample properties, X-ray source and detector energy resolution. Good agreement between simulations and experimental data was obtained. Simulations using explosive materials indicated that parameters such as the diffraction angle or the energy resolution of the detector have a significant impact on the diffraction signature of the material inspected. This software will be a convenient tool to test many diffractometer configurations, providing information on the one that best restores the spectral diffraction signature of the materials of interest.

Diffraction enhanced x-ray imaging

International Nuclear Information System (INIS)

Thomlinson, W.; Zhong, Z.; Johnston, R.E.; Sayers, D.

1997-09-01

Diffraction enhanced imaging (DEI) is a new x-ray radiographic imaging modality using synchrotron x-rays which produces images of thick absorbing objects that are almost completely free of scatter. They show dramatically improved contrast over standard imaging applied to the same phantoms. The contrast is based not only on attenuation but also the refraction and diffraction properties of the sample. The diffraction component and the apparent absorption component (absorption plus extinction contrast) can each be determined independently. This imaging method may improve the image quality for medical applications such as mammography

Quantitative measurement of phase variation amplitude of ultrasonic diffraction grating based on diffraction spectral analysis

Energy Technology Data Exchange (ETDEWEB)

Pan, Meiyan, E-mail: yphantomohive@gmail.com; Zeng, Yingzhi; Huang, Zuohua, E-mail: zuohuah@163.com [Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou, Guangdong 510006 (China)

2014-09-15

A new method based on diffraction spectral analysis is proposed for the quantitative measurement of the phase variation amplitude of an ultrasonic diffraction grating. For a traveling wave, the phase variation amplitude of the grating depends on the intensity of the zeroth- and first-order diffraction waves. By contrast, for a standing wave, this amplitude depends on the intensity of the zeroth-, first-, and second-order diffraction waves. The proposed method is verified experimentally. The measured phase variation amplitude ranges from 0 to 2π, with a relative error of approximately 5%. A nearly linear relation exists between the phase variation amplitude and driving voltage. Our proposed method can also be applied to ordinary sinusoidal phase grating.

Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto

International Nuclear Information System (INIS)

Yanagisawa, Yasuhide; Chatake, Toshiyuki; Chiba-Kamoshida, Kaori; Naito, Sawa; Ohsugi, Tadanori; Sumi, Hiroyuki; Yasuda, Ichiro; Morimoto, Yukio

2010-01-01

Nattokinase, a protein found in high levels in the traditional Japanese food natto, has been reported to have high thrombolytic activity. In the present study, the crystallization of native nattokinase and the collection of X-ray diffraction date from a nattokinase crystal to a resolution of 1.74 Å are reported. Nattokinase is a single polypeptide chain composed of 275 amino acids (molecular weight 27 724) which displays strong fibrinolytic activity. Moreover, it can activate other fibrinolytic enzymes such as pro-urokinase and tissue plasminogen activator. In the present study, native nattokinase from Bacillus subtilis natto was purified using gel-filtration chromatography and crystallized to give needle-like crystals which could be used for X-ray diffraction experiments. The crystals belonged to space group C2, with unit-cell parameters a = 74.3, b = 49.9, c = 56.3 Å, β = 95.2°. Diffraction images were processed to a resolution of 1.74 Å with an R merge of 5.2% (15.3% in the highest resolution shell) and a completeness of 69.8% (30.0% in the highest resolution shell). This study reports the first X-ray diffraction analysis of nattokinase

Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto

Energy Technology Data Exchange (ETDEWEB)

Yanagisawa, Yasuhide [Faculty of Pharmaceutical Sciences, Chiba Institute of Science, 15-8 Shiomi-cho, Choshi, Chiba 288-0025 (Japan); Chatake, Toshiyuki [Research Reactor Institute, Kyoto University, Asashironishi 2, Kumatori, Sennan, Osaka 590-0494 (Japan); Chiba-Kamoshida, Kaori [National Institute of Advanced Industrial Science and Technology (AIST), Umezono 1-1-1, Tsukuba, Ibaraki 305-8568 (Japan); Naito, Sawa; Ohsugi, Tadanori; Sumi, Hiroyuki [Kurashiki University of Science and Arts, Nishinoura 2640, Tsurajima-cho, Kurashiki, Okayama 712-8505 (Japan); Yasuda, Ichiro [Faculty of Pharmaceutical Sciences, Chiba Institute of Science, 15-8 Shiomi-cho, Choshi, Chiba 288-0025 (Japan); Morimoto, Yukio [Research Reactor Institute, Kyoto University, Asashironishi 2, Kumatori, Sennan, Osaka 590-0494 (Japan); Faculty of Pharmaceutical Sciences, Chiba Institute of Science, 15-8 Shiomi-cho, Choshi, Chiba 288-0025 (Japan)

2010-12-01

Nattokinase, a protein found in high levels in the traditional Japanese food natto, has been reported to have high thrombolytic activity. In the present study, the crystallization of native nattokinase and the collection of X-ray diffraction date from a nattokinase crystal to a resolution of 1.74 Å are reported. Nattokinase is a single polypeptide chain composed of 275 amino acids (molecular weight 27 724) which displays strong fibrinolytic activity. Moreover, it can activate other fibrinolytic enzymes such as pro-urokinase and tissue plasminogen activator. In the present study, native nattokinase from Bacillus subtilis natto was purified using gel-filtration chromatography and crystallized to give needle-like crystals which could be used for X-ray diffraction experiments. The crystals belonged to space group C2, with unit-cell parameters a = 74.3, b = 49.9, c = 56.3 Å, β = 95.2°. Diffraction images were processed to a resolution of 1.74 Å with an R{sub merge} of 5.2% (15.3% in the highest resolution shell) and a completeness of 69.8% (30.0% in the highest resolution shell). This study reports the first X-ray diffraction analysis of nattokinase.

Bragg's Law diffraction simulations for electron backscatter diffraction analysis

International Nuclear Information System (INIS)

Kacher, Josh; Landon, Colin; Adams, Brent L.; Fullwood, David

2009-01-01

In 2006, Angus Wilkinson introduced a cross-correlation-based electron backscatter diffraction (EBSD) texture analysis system capable of measuring lattice rotations and elastic strains to high resolution. A variation of the cross-correlation method is introduced using Bragg's Law-based simulated EBSD patterns as strain free reference patterns that facilitates the use of the cross-correlation method with polycrystalline materials. The lattice state is found by comparing simulated patterns to collected patterns at a number of regions on the pattern using the cross-correlation function and calculating the deformation from the measured shifts of each region. A new pattern can be simulated at the deformed state, and the process can be iterated a number of times to converge on the absolute lattice state. By analyzing an iteratively rotated single crystal silicon sample and recovering the rotation, this method is shown to have an angular resolution of ∼0.04 o and an elastic strain resolution of ∼7e-4. As an example of applications, elastic strain and curvature measurements are used to estimate the dislocation density in a single grain of a compressed polycrystalline Mg-based AZ91 alloy.

High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal–organic framework material HKUST-1

Energy Technology Data Exchange (ETDEWEB)

Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I.F. [ISIS Facility, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, OX11 0QX (United Kingdom); Millange, Franck [Institut Lavoisier Versailles (CNRS UMR 8180), Université de Versailles, 78035 Versailles (France); Walton, Richard I., E-mail: r.i.walton@warwick.ac.uk [Department of Chemistry, University of Warwick, CV4 7AL, Coventry (United Kingdom)

2013-12-12

Highlights: • Binding sites for dihydrogen in a metal–organic framework have been identified. • The combination of diffraction and spectroscopy shows competitive filling of various adsorption sites. • Inelastic neutron scattering over wide-momentum transfer reveals new models for hydrogen-framework interactions. - Abstract: We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal–organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal–organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.

High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal–organic framework material HKUST-1

International Nuclear Information System (INIS)

Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I.F.; Millange, Franck; Walton, Richard I.

2013-01-01

Highlights: • Binding sites for dihydrogen in a metal–organic framework have been identified. • The combination of diffraction and spectroscopy shows competitive filling of various adsorption sites. • Inelastic neutron scattering over wide-momentum transfer reveals new models for hydrogen-framework interactions. - Abstract: We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal–organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal–organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host

Coherent Rabi oscillations in a molecular system and sub-diffraction-limited pattern generation

International Nuclear Information System (INIS)

Liao, Zeyang; Al-Amri, M; Zubairy, M Suhail

2015-01-01

The resolution of a photolithography and optical imaging system is restricted by the diffraction limit. Coherent Rabi oscillations have been shown to be able to overcome the diffraction limit in a simple two-level atomic system (Z Liao, M Al-amri, and M S Zubairy 2010 Phys. Rev. Lett. 105 183601). In this paper, we numerically calculate the wave packet dynamics of a molecular system interacting with an ultrashort laser pulse and show that coherent Rabi oscillations in a molecular system are also possible. Moreover, a sub-diffraction-limited pattern can be generated in this system by introducing spatially modulated Rabi oscillations. We also discuss several techniques to improve the visibility of the sub-diffraction-limited pattern. Our result may have important applications in super-resolution optical lithography and optical imaging. (paper)

On the use of logarithmic scales for analysis of diffraction data

Energy Technology Data Exchange (ETDEWEB)

Urzhumtsev, Alexandre, E-mail: sacha@igbmc.fr [IGBMC, CNRS-INSERM-UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Physics Department, University of Nancy, BP 239, Faculté des Sciences et des Technologies, 54506 Vandoeuvre-lès-Nancy (France); Afonine, Pavel V. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Department of Bioengineering, University of California Berkeley, Berkeley, CA 94720 (United States); IGBMC, CNRS-INSERM-UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France)

2009-12-01

Conventional and free R factors and their difference, as well as the ratio of the number of measured reflections to the number of atoms in the crystal, were studied as functions of the resolution at which the structures were reported. When the resolution was taken uniformly on a logarithmic scale, the most frequent values of these functions were quasi-linear over a large resolution range. Predictions of the possible model parameterization and of the values of model characteristics such as R factors are important for macromolecular refinement and validation protocols. One of the key parameters defining these and other values is the resolution of the experimentally measured diffraction data. The higher the resolution, the larger the number of diffraction data N{sub ref}, the larger its ratio to the number N{sub at} of non-H atoms, the more parameters per atom can be used for modelling and the more precise and detailed a model can be obtained. The ratio N{sub ref}/N{sub at} was calculated for models deposited in the Protein Data Bank as a function of the resolution at which the structures were reported. The most frequent values for this distribution depend essentially linearly on resolution when the latter is expressed on a uniform logarithmic scale. This defines simple analytic formulae for the typical Matthews coefficient and for the typically allowed number of parameters per atom for crystals diffracting to a given resolution. This simple dependence makes it possible in many cases to estimate the expected resolution of the experimental data for a crystal with a given Matthews coefficient. When expressed using the same logarithmic scale, the most frequent values for R and R{sub free} factors and for their difference are also essentially linear across a large resolution range. The minimal R-factor values are practically constant at resolutions better than 3 Å, below which they begin to grow sharply. This simple dependence on the resolution allows the prediction of

Crystallization and X-ray diffraction analysis of an ‘all-locked’ nucleic acid duplex derived from a tRNASer microhelix

International Nuclear Information System (INIS)

Behling, Katja; Eichert, André; Fürste, Jens P.; Betzel, Christian; Erdmann, Volker A.; Förster, Charlotte

2009-01-01

A completely ‘all-locked’ nucleic acid duplex was designed from an E. coli tRNA Ser microhelix. The helix consists exclusively of LNA building blocks and was crystallized. The crystals diffracted to 1.9 Å resolution. Modified nucleic acids are of great interest with respect to their nuclease resistance and enhanced thermostability. In therapeutical and diagnostic applications, such molecules can substitute for labile natural nucleic acids that are targeted against particular diseases or applied in gene therapy. The so-called ‘locked nucleic acids’ contain modified sugar moieties such as 2′-O,4′-C-methylene-bridged β-d-ribofuranose and are known to be very stable nucleic acid derivatives. The structure of locked nucleic acids in single or multiple LNA-substituted natural nucleic acids and in LNA–DNA or LNA–RNA heteroduplexes has been well investigated, but the X-ray structure of an ‘all-locked’ nucleic acid double helix has not been described to date. Here, the crystallization and X-ray diffraction data analysis of an ‘all-locked’ nucleic acid helix, which was designed as an LNA originating from a tRNA Ser microhelix RNA structure, is presented. The crystals belonged to space group C2, with unit-cell parameters a = 77.91, b = 40.74, c = 30.06 Å, β = 91.02°. A high-resolution and a low-resolution data set were recorded, with the high-resolution data showing diffraction to 1.9 Å resolution. The crystals contained two double helices per asymmetric unit, with a Matthews coefficient of 2.48 Å 3 Da −1 and a solvent content of 66.49% for the merged data

High-Resolution Detector For X-Ray Diffraction

Science.gov (United States)

Carter, Daniel C.; Withrow, William K.; Pusey, Marc L.; Yost, Vaughn H.

1988-01-01

Proposed x-ray-sensitive imaging detector offers superior spatial resolution, counting-rate capacity, and dynamic range. Instrument based on laser-stimulated luminescence and reusable x-ray-sensitive film. Detector scans x-ray film line by line. Extracts latent image in film and simultaneously erases film for reuse. Used primarily for protein crystallography. Principle adapted to imaging detectors for electron microscopy and fluorescence spectroscopy and general use in astronomy, engineering, and medicine.

High temperature neutron diffraction study of LaPO4

International Nuclear Information System (INIS)

Mishra, S.K.; Mittal, R.; Ningthoujam, R.S.; Vatsa, R.K.; Hansen, T.

2016-01-01

We report high temperature powder neutron diffractions study in LaPO 4 using high-flux D20 neutron diffractometer in the Institut Laue-Langevin, France. The measurements were carried out in high resolution mode (incident neutron wavelength 1.36 A) at various temperature upto 900°C. CarefuI inspection of temperature dependence of diffraction data showed appearance and disappearance of certain Bragg's reflections above 1273 K. It is a signature of structural phase transition. Rietveld refinement of the powder diffraction data revealed that diffraction patterns at and above 800°C could be indexed using the monoclinic structure with P21/n space group. Detail analysis for identify the water molecules is under investigation. (author)

Grey signal processing and data reconstruction in the non-diffracting beam triangulation measurement system

Science.gov (United States)

Meng, Hao; Wang, Zhongyu; Fu, Jihua

2008-12-01

The non-diffracting beam triangulation measurement system possesses the advantages of longer measurement range, higher theoretical measurement accuracy and higher resolution over the traditional laser triangulation measurement system. Unfortunately the measurement accuracy of the system is greatly degraded due to the speckle noise, the CCD photoelectric noise and the background light noise in practical applications. Hence, some effective signal processing methods must be applied to improve the measurement accuracy. In this paper a novel effective method for removing the noises in the non-diffracting beam triangulation measurement system is proposed. In the method the grey system theory is used to process and reconstruct the measurement signal. Through implementing the grey dynamic filtering based on the dynamic GM(1,1), the noises can be effectively removed from the primary measurement data and the measurement accuracy of the system can be improved as a result.

In-situ investigations of structural changes during cyclic loading by high resolution reciprocal space mapping

DEFF Research Database (Denmark)

Diederichs, Annika M.; Thiel, Felix; Lienert, Ulrich

2017-01-01

dislocation structures can be identified using advanced electron microscopy and synchrotron techniques. A detailed characterization of the microstructure during cyclic loading by in-situ monitoring the internal structure within individual grains with high energy x-rays can help to understand and predict...... the materials behavior during cyclic deformation and to improve the material design. While monitoring macroscopic stress and strain during cyclic loading, reciprocal space maps of diffraction peaks from single grains are obtained with high resolution. High Resolution Reciprocal Space Mapping was applied...

Applying and extending ISO/TC42 digital camera resolution standards to mobile imaging products

Science.gov (United States)

Williams, Don; Burns, Peter D.

2007-01-01

There are no fundamental differences between today's mobile telephone cameras and consumer digital still cameras that suggest many existing ISO imaging performance standards do not apply. To the extent that they have lenses, color filter arrays, detectors, apertures, image processing, and are hand held, there really are no operational or architectural differences. Despite this, there are currently differences in the levels of imaging performance. These are driven by physical and economic constraints, and image-capture conditions. Several ISO standards for resolution, well established for digital consumer digital cameras, require care when applied to the current generation of cell phone cameras. In particular, accommodation of optical flare, shading non-uniformity and distortion are recommended. We offer proposals for the application of existing ISO imaging resolution performance standards to mobile imaging products, and suggestions for extending performance standards to the characteristic behavior of camera phones.

Multiple x-ray diffraction applied to the study of crystal impurities

International Nuclear Information System (INIS)

Cardoso, L.P.

1983-06-01

The x-ray multiple diffraction technique is used in the study of impurities concentration and localization in the crystal lattice, implemented with the fundamental observation that the impurities cannot be distributed with the same spatial group symmetry of the crystal. This fact could introduce scattered intensity in the crystal reciprocal lattice forbidden nodes. This effect was effectively observed in multiple diffraction diagrams, where a reinforcement of the scattered intensity in the pure crystal is produced, when choosing conveniently the involved reflections. The reflectivity theory was developed in the kinematic case, which take into account the scattering by the impurities atoms, and the analysis showed that, in the first approximation, the impurities can influence both in the allowed and forbidden positions for the pure crystal. (L.C.J.A.)

Spectroscopic imaging, diffraction, and holography with x-ray photoemission

Energy Technology Data Exchange (ETDEWEB)

1992-02-01

X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimental fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.

Spectroscopic imaging, diffraction, and holography with x-ray photoemission

International Nuclear Information System (INIS)

1992-02-01

X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimental fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons

High-energy X-ray diffraction studies of disordered materials

International Nuclear Information System (INIS)

Kohara, Shinji; Suzuya, Kentaro

2003-01-01

With the arrival of the latest generation of synchrotron sources and the introduction of advanced insertion devices (wigglers and undulators), the high-energy (E≥50 keV) X-ray diffraction technique has become feasible, leading to new approaches in the quantitative study of the structure of disordered materials. High-energy X-ray diffraction has several advantages: higher resolution in real space due to a wide range of scattering vector Q, smaller correction terms (especially the absorption correction), reduction of truncation errors, the feasibility of running under extreme environments, including high-temperatures and high-pressures, and the ability to make direct comparisons between X-ray and neutron diffraction data. Recently, high-energy X-ray diffraction data have been combined with neutron diffraction data from a pulsed source to provide more detailed and reliable structural information than that hitherto available

Electron diffraction and high-resolution transmission electron microscopy of the high temperature crystal structures of GexSb2Te3+x (x=1,2,3) phase change material

NARCIS (Netherlands)

Kooi, B.J.; de Hosson, J.T.M.

2002-01-01

The crystal structures of GeSb2Te4, Ge2Sb2Te5, and Ge3Sb2Te6 were determined using electron diffraction and high-resolution transmission electron microscopy. The structure determined for the former two crystals deviates from the ones proposed in the literature. These crystal structures were

Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto.

Science.gov (United States)

Yanagisawa, Yasuhide; Chatake, Toshiyuki; Chiba-Kamoshida, Kaori; Naito, Sawa; Ohsugi, Tadanori; Sumi, Hiroyuki; Yasuda, Ichiro; Morimoto, Yukio

2010-12-01

Nattokinase is a single polypeptide chain composed of 275 amino acids (molecular weight 27,724) which displays strong fibrinolytic activity. Moreover, it can activate other fibrinolytic enzymes such as pro-urokinase and tissue plasminogen activator. In the present study, native nattokinase from Bacillus subtilis natto was purified using gel-filtration chromatography and crystallized to give needle-like crystals which could be used for X-ray diffraction experiments. The crystals belonged to space group C2, with unit-cell parameters a=74.3, b=49.9, c=56.3 Å, β=95.2°. Diffraction images were processed to a resolution of 1.74 Å with an Rmerge of 5.2% (15.3% in the highest resolution shell) and a completeness of 69.8% (30.0% in the highest resolution shell). This study reports the first X-ray diffraction analysis of nattokinase.

Diffraction of polarized light on periodic structures

International Nuclear Information System (INIS)

Bukanina, V; Divakov, D; Tyutyunnik, A; Hohlov, A

2012-01-01

Periodic structures as photonic crystals are widely used in modern laser devices, communication technologies and for creating various beam splitters and filters. Diffraction gratings are applied for creating 3D television sets, DVD and Blu-ray drives and reflective structures (Berkley mirror). It is important to simulate diffraction on such structures to design optical systems with predetermined properties based on photonic crystals and diffraction gratings. Methods of simulating diffraction on periodic structures uses theory of Floquet-Bloch and rigorous coupled-wave analysis (RCWA). Current work is dedicated to analysis of photonic band gaps and simulating diffraction on one-dimensional binary diffraction grating using RCWA. The Maxwell's equations for isotropic media and constitutive relations based on the cgs system were used as a model.

High-resolution neutron powder-diffraction in CMR manganates

Energy Technology Data Exchange (ETDEWEB)

Suard, E; Radaelli, P G [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

1997-04-01

Manganese-oxide materials have recently been the subject of renewed attention, due to the `colossal` magnetoresistance (CMR) displayed near the spin-ordering temperature T{sub c} by some of these compounds. CMR has been evidenced in at least three families of manganese oxides. In most cases, the CMR compounds behave as paramagnetic semiconductors at high temperatures, and as ferromagnetic metals below T{sub c}. The study of this metallization process has lead some theorists to challenge its traditional interpretation in terms of the so-called double-exchange mechanism, and to propose alternative scenarios in which the coupling of the charge carriers with the lattice plays a paramount role. Powder diffraction method, being at the forefront of CMR research is presented. (author). 4 refs.

EBSD spatial resolution for detecting sigma phase in steels

Energy Technology Data Exchange (ETDEWEB)

Bordín, S. Fernandez; Limandri, S. [Instituto de Física Enrique Gaviola, CONICET. M. Allende s/n, Ciudad Universitaria, 5000 Córdoba (Argentina); Ranalli, J.M. [Comisión Nacional de Energía Atómica, Av. Gral. Paz 1499, San Martín, 1650 Buenos Aires (Argentina); Castellano, G. [Instituto de Física Enrique Gaviola, CONICET. M. Allende s/n, Ciudad Universitaria, 5000 Córdoba (Argentina)

2016-12-15

The spatial resolution of the electron backscatter diffraction signal is explored by Monte Carlo simulation for the sigma phase in steel at a typical instrumental set-up. In order to estimate the active volume corresponding to the diffracted electrons, the fraction of the backscattered electrons contributing to the diffraction signal was inferred by extrapolating the Kikuchi pattern contrast measured by other authors, as a function of the diffracted electron energy. In the resulting estimation, the contribution of the intrinsic incident beam size and the software capability to deconvolve patterns were included. A strong influence of the beam size on the lateral resolution was observed, resulting in 20 nm for the aperture considered. For longitudinal and depth directions the resolutions obtained were 75 nm and 16 nm, respectively. The reliability of this last result is discussed in terms of the survey of the last large-angle deflection undergone by the backscattered electrons involved in the diffraction process. Bearing in mind the mean transversal resolution found, it was possible to detect small area grains of sigma phase by EBSD measurements, for a stabilized austenitic AISI 347 stainless steel under heat treatments, simulating post welding (40 h at 600 °C) and aging (284 h at 484 °C) effects—as usually occurring in nuclear reactor pressure vessels. - Highlights: • EBSD spatial resolution is studied by Monte Carlo simulation for σ-phase in steel. • The contribution of the intrinsic incident beam size was included. • A stabilized austenitic stainless steel under heat treatments was measured by EBSD. • With the transversal resolution found, small area σ-phase grains could be identified.

Crystallization and preliminary X-ray diffraction study of recombinant ribokinase from Thermus Species 2.9

Energy Technology Data Exchange (ETDEWEB)

Abramchik, Yu. A. [Russian Academy of Sciences, Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry (Russian Federation); Timofeev, V. I., E-mail: tostars@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation); Muravieva, T. I.; Esipov, R. S., E-mail: espiov@mx.ibch.ru [Russian Academy of Sciences, Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry (Russian Federation); Kuranova, I. P., E-mail: inna@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation)

2016-11-15

Ribokinase from a thermophilic strain of Thermus species 2.9 belonging to the carbohydrate ribokinase family (EC 2.7.1.15) was isolated, purified, and crystallized. The crystallization conditions were found by the vapor-diffusion technique and were then optimized to apply the capillary counter-diffusion technique. The X-ray diffraction data set was collected from the crystals, which were grown by the counter-diffusion technique, at the SPring-8 synchrotron radiation facility to 2.87 Å resolution. The crystals belong to sp. gr. P12{sub 1}1 and have the following unit-cell parameters: a = 81.613 Å, b = 156.132 Å, c = 87.714 Å, α = γ = 90°, β = 103.819°. The X-ray diffraction data set is suitable for determining the three-dimensional structure of the protein by the molecular-replacement method.

Applying multi-resolution numerical methods to geodynamics

Science.gov (United States)

Davies, David Rhodri

Computational models yield inaccurate results if the underlying numerical grid fails to provide the necessary resolution to capture a simulation's important features. For the large-scale problems regularly encountered in geodynamics, inadequate grid resolution is a major concern. The majority of models involve multi-scale dynamics, being characterized by fine-scale upwelling and downwelling activity in a more passive, large-scale background flow. Such configurations, when coupled to the complex geometries involved, present a serious challenge for computational methods. Current techniques are unable to resolve localized features and, hence, such models cannot be solved efficiently. This thesis demonstrates, through a series of papers and closely-coupled appendices, how multi-resolution finite-element methods from the forefront of computational engineering can provide a means to address these issues. The problems examined achieve multi-resolution through one of two methods. In two-dimensions (2-D), automatic, unstructured mesh refinement procedures are utilized. Such methods improve the solution quality of convection dominated problems by adapting the grid automatically around regions of high solution gradient, yielding enhanced resolution of the associated flow features. Thermal and thermo-chemical validation tests illustrate that the technique is robust and highly successful, improving solution accuracy whilst increasing computational efficiency. These points are reinforced when the technique is applied to geophysical simulations of mid-ocean ridge and subduction zone magmatism. To date, successful goal-orientated/error-guided grid adaptation techniques have not been utilized within the field of geodynamics. The work included herein is therefore the first geodynamical application of such methods. In view of the existing three-dimensional (3-D) spherical mantle dynamics codes, which are built upon a quasi-uniform discretization of the sphere and closely coupled

Crystallization and diffraction analysis of thioredoxin reductase from Streptomyces coelicolor

International Nuclear Information System (INIS)

Koháryová, Michaela; Brynda, Jiří; Řezáčová, Pavlína; Kollárová, Marta

2011-01-01

Thioredoxin reductase from S. coelicolor was crystallized and diffraction data were collected to 2.4 Å resolution. Thioredoxin reductases are homodimeric flavoenzymes that catalyze the transfer of electrons from NADPH to oxidized thioredoxin substrate. Bacterial thioredoxin reductases represent a promising target for the development of new antibiotics. Recombinant thioredoxin reductase TrxB from Streptomyces coelicolor was crystallized using the hanging-drop vapour-diffusion method. X-ray diffraction data were collected from cryocooled crystals to 2.4 Å resolution using a synchrotron-radiation source. The crystals belonged to the primitive monoclinic space group P2 1 , with unit-cell parameters a = 82.9, b = 60.6, c = 135.4 Å, α = γ = 90.0, β = 96.5°

Modern techniques of structural neutron diffraction

International Nuclear Information System (INIS)

Aksenov, V.L.; )

1997-01-01

Modern techniques of neutron diffraction for structural investigations are analyzed. The time-of-flight method and the reverse time-of-flight method are considered briefly. Characteristics of two-crystal and time-of-flight neutron diffractometers are compared. It is pointed that in the future, the great importance will be possessed the development of high-resolution Fourier neutron diffractometers [ru

High-resolution x-ray diffraction study of the heavy-fermion compound YbBiPt

Science.gov (United States)

Ueland, B. G.; Saunders, S. M.; Bud'Ko, S. L.; Schmiedeshoff, G. M.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.

YbBiPt is a heavy-fermion compound possessing significant short-range antiferromagnetic correlations below T* = 0 . 7 K, fragile antiferromagnetic order below TN = 0 . 4 K, a Kondo temperature of TK ~ 1 K, and crystalline-electric-field splitting (CEF) on the order of E /kB = 1 - 10 K. Its lattice is face-centered cubic at ambient temperature, but certain data, particularly those from studies aimed at determining the CEF level scheme, suggest that the lattice distorts at lower temperature. Here, we present results from high-energy x-ray diffraction experiments which show that, within our experimental resolution of ~ 6 - 10 ×10-5 Å, no structural phase transition occurs between 1 . 5 and 50 K. Despite this result, we demonstrate that the compound's thermal expansion may be modeled using CEF level schemes appropriate for Yb3+ residing on a site with either cubic or less than cubic point symmetry. Work at the Ames Laboratory was supported by the US DOE, BES, DMSE, under Contract No. DE-AC02-07CH11358. Work at Occidental College was supported by the NSF under DMR-1408598. This research used resources at the Advanced Photon Source a US DOE, Office of Science, User Facility.

Resolution enhancement techniques in microscopy

Science.gov (United States)

Cremer, Christoph; Masters, Barry R.

2013-05-01

We survey the history of resolution enhancement techniques in microscopy and their impact on current research in biomedicine. Often these techniques are labeled superresolution, or enhanced resolution microscopy, or light-optical nanoscopy. First, we introduce the development of diffraction theory in its relation to enhanced resolution; then we explore the foundations of resolution as expounded by the astronomers and the physicists and describe the conditions for which they apply. Then we elucidate Ernst Abbe's theory of optical formation in the microscope, and its experimental verification and dissemination to the world wide microscope communities. Second, we describe and compare the early techniques that can enhance the resolution of the microscope. Third, we present the historical development of various techniques that substantially enhance the optical resolution of the light microscope. These enhanced resolution techniques in their modern form constitute an active area of research with seminal applications in biology and medicine. Our historical survey of the field of resolution enhancement uncovers many examples of reinvention, rediscovery, and independent invention and development of similar proposals, concepts, techniques, and instruments. Attribution of credit is therefore confounded by the fact that for understandable reasons authors stress the achievements from their own research groups and sometimes obfuscate their contributions and the prior art of others. In some cases, attribution of credit is also made more complex by the fact that long term developments are difficult to allocate to a specific individual because of the many mutual connections often existing between sometimes fiercely competing, sometimes strongly collaborating groups. Since applications in biology and medicine have been a major driving force in the development of resolution enhancing approaches, we focus on the contribution of enhanced resolution to these fields.

Diffraction Techniques in Structural Biology

Science.gov (United States)

Egli, Martin

2016-01-01

A detailed understanding of chemical and biological function and the mechanisms underlying the molecular activities ultimately requires atomic-resolution structural data. Diffraction-based techniques such as single-crystal X-ray crystallography, electron microscopy, and neutron diffraction are well established and they have paved the road to the stunning successes of modern-day structural biology. The major advances achieved in the last 20 years in all aspects of structural research, including sample preparation, crystallization, the construction of synchrotron and spallation sources, phasing approaches, and high-speed computing and visualization, now provide specialists and nonspecialists alike with a steady flow of molecular images of unprecedented detail. The present unit combines a general overview of diffraction methods with a detailed description of the process of a single-crystal X-ray structure determination experiment, from chemical synthesis or expression to phasing and refinement, analysis, and quality control. For novices it may serve as a stepping-stone to more in-depth treatises of the individual topics. Readers relying on structural information for interpreting functional data may find it a useful consumer guide. PMID:27248784

Study of the diffraction in the microscope: Annular condenser

International Nuclear Information System (INIS)

Ciocci, L; Echarri, R M; Simon, J M

2011-01-01

In this work we study the diffraction in the microscope when an annular condenser is used to illuminate the object. We calculate the point spread function (PSF) for a pinhole in an opaque screen illuminated with an annular condenser, consisting in an 1D array of incoherent point sources. We compare it with the PSF for a self-luminous point object, finding that the central disk of the diffraction pattern is narrower and the first intensity minimum is deeper for illuminated objects. We also analyze the resolution of the system by means of the intensity profile produced by two points objects, finding that two self luminous point objects are better resolved than two illuminated objects at the same distance. This suggests that the correlation introduced in the object diminishes the resolution in the former case.

Diffractive X-Ray Telescopes

International Nuclear Information System (INIS)

Skinner, G.K.; Skinner, G.K

2010-01-01

Diffractive X-ray telescopes using zone plates, phase Fresnel lenses, or related optical elements have the potential to provide astronomers with true imaging capability with resolution several orders of magnitude better than available in any other waveband. Lenses that would be relatively easy to fabricate could have an angular resolution of the order of micro arc seconds or even better, that would allow, for example, imaging of the distorted spacetime in the immediate vicinity of the supermassive black holes in the center of active galaxies What then is precluding their immediate adoption Extremely long focal lengths, very limited bandwidth, and difficulty stabilizing the image are the main problems. The history and status of the development of such lenses is reviewed here and the prospects for managing the challenges that they present are discussed atmospheric absorption

Reconstructing an icosahedral virus from single-particle diffraction experiments

Science.gov (United States)

Saldin, D. K.; Poon, H.-C.; Schwander, P.; Uddin, M.; Schmidt, M.

2011-08-01

The first experimental data from single-particle scattering experiments from free electron lasers (FELs) are now becoming available. The first such experiments are being performed on relatively large objects such as viruses, which produce relatively low-resolution, low-noise diffraction patterns in so-called ``diffract-and-destroy'' experiments. We describe a very simple test on the angular correlations of measured diffraction data to determine if the scattering is from an icosahedral particle. If this is confirmed, the efficient algorithm proposed can then combine diffraction data from multiple shots of particles in random unknown orientations to generate a full 3D image of the icosahedral particle. We demonstrate this with a simulation for the satellite tobacco necrosis virus (STNV), the atomic coordinates of whose asymmetric unit is given in Protein Data Bank entry 2BUK.

Microsphere-aided optical microscopy and its applications for super-resolution imaging

Science.gov (United States)

Upputuri, Paul Kumar; Pramanik, Manojit

2017-12-01

The spatial resolution of a standard optical microscope (SOM) is limited by diffraction. In visible spectrum, SOM can provide ∼ 200 nm resolution. To break the diffraction limit several approaches were developed including scanning near field microscopy, metamaterial super-lenses, nanoscale solid immersion lenses, super-oscillatory lenses, confocal fluorescence microscopy, techniques that exploit non-linear response of fluorophores like stimulated emission depletion microscopy, stochastic optical reconstruction microscopy, etc. Recently, photonic nanojet generated by a dielectric microsphere was used to break the diffraction limit. The microsphere-approach is simple, cost-effective and can be implemented under a standard microscope, hence it has gained enormous attention for super-resolution imaging. In this article, we briefly review the microsphere approach and its applications for super-resolution imaging in various optical imaging modalities.

Bragg's Law diffraction simulations for electron backscatter diffraction analysis

Energy Technology Data Exchange (ETDEWEB)

Kacher, Josh, E-mail: jkacherbyu@gmail.com [Department of Mechanical Engineering, Brigham Young University, 455B Crabtree Technology Building, Provo, UT 84602 (United States); Landon, Colin; Adams, Brent L.; Fullwood, David [Department of Mechanical Engineering, Brigham Young University, 455B Crabtree Technology Building, Provo, UT 84602 (United States)

2009-08-15

In 2006, Angus Wilkinson introduced a cross-correlation-based electron backscatter diffraction (EBSD) texture analysis system capable of measuring lattice rotations and elastic strains to high resolution. A variation of the cross-correlation method is introduced using Bragg's Law-based simulated EBSD patterns as strain free reference patterns that facilitates the use of the cross-correlation method with polycrystalline materials. The lattice state is found by comparing simulated patterns to collected patterns at a number of regions on the pattern using the cross-correlation function and calculating the deformation from the measured shifts of each region. A new pattern can be simulated at the deformed state, and the process can be iterated a number of times to converge on the absolute lattice state. By analyzing an iteratively rotated single crystal silicon sample and recovering the rotation, this method is shown to have an angular resolution of {approx}0.04{sup o} and an elastic strain resolution of {approx}7e-4. As an example of applications, elastic strain and curvature measurements are used to estimate the dislocation density in a single grain of a compressed polycrystalline Mg-based AZ91 alloy.

The bent crystal diffraction spectrometer at the BR2 reactor in Mol

Science.gov (United States)

Kaerts, E.; Jacobs, L.; Vandenput, G.; Van Assche, P. H. M.

1988-05-01

The DuMond-type bent crystal diffraction spectrometer installed at the BR2 reactor in Mol is presented. The spectrometer is mainly designed to study nuclear γ-transitions following thermal neutron capture. It covers the energy interval 25 ≦ Eγ ≦ 1500 keV. Instead of the traditionally used quartz crystals, a highly perfect silicium crystal is chosen as analysing crystal. Diffraction occurs from the (220) plane. The "quasi-mosaic" width, introduced by bending the crystal, is as small as 0.2″. The integrated reflecting power R of the bent crystal stays constant up to 1.5 MeV in first, 680 keV in second and 300 keV in third diffraction order. For higher photon energies, only an E-1 energy dependence is observed in second and third diffraction order. Consequently, besides improving the energy resolution, the use of these silicium crystals substantially increases the spectrometer efficiency and extends the high energy limit of bent crystal diffraction spectrometers. The diffraction angles are measured with a symmetrical interferometer system which covers an angular range of -6° to +6° with a precision of about 0.01″. Minimum diffraction line widths of 0.9″ have been measured, corresponding to an energy resolution ΔE = 1.35 × 10 -6E2n-1 keV -1. The dominant contribution to the observed line widths arises from the finite extent of the source.

Revisit to diffraction anomalous fine structure

International Nuclear Information System (INIS)

Kawaguchi, T.; Fukuda, K.; Tokuda, K.; Shimada, K.; Ichitsubo, T.; Oishi, M.; Mizuki, J.; Matsubara, E.

2014-01-01

The diffraction anomalous fine structure method has been revisited by applying this measurement technique to polycrystalline samples and using an analytical method with the logarithmic dispersion relation. The diffraction anomalous fine structure (DAFS) method that is a spectroscopic analysis combined with resonant X-ray diffraction enables the determination of the valence state and local structure of a selected element at a specific crystalline site and/or phase. This method has been improved by using a polycrystalline sample, channel-cut monochromator optics with an undulator synchrotron radiation source, an area detector and direct determination of resonant terms with a logarithmic dispersion relation. This study makes the DAFS method more convenient and saves a large amount of measurement time in comparison with the conventional DAFS method with a single crystal. The improved DAFS method has been applied to some model samples, Ni foil and Fe 3 O 4 powder, to demonstrate the validity of the measurement and the analysis of the present DAFS method

Background modelling of diffraction data in the presence of ice rings

Directory of Open Access Journals (Sweden)

James M. Parkhurst

2017-09-01

Full Text Available An algorithm for modelling the background for each Bragg reflection in a series of X-ray diffraction images containing Debye–Scherrer diffraction from ice in the sample is presented. The method involves the use of a global background model which is generated from the complete X-ray diffraction data set. Fitting of this model to the background pixels is then performed for each reflection independently. The algorithm uses a static background model that does not vary over the course of the scan. The greatest improvement can be expected for data where ice rings are present throughout the data set and the local background shape at the size of a spot on the detector does not exhibit large time-dependent variation. However, the algorithm has been applied to data sets whose background showed large pixel variations (variance/mean > 2 and has been shown to improve the results of processing for these data sets. It is shown that the use of a simple flat-background model as in traditional integration programs causes systematic bias in the background determination at ice-ring resolutions, resulting in an overestimation of reflection intensities at the peaks of the ice rings and an underestimation of reflection intensities either side of the ice ring. The new global background-model algorithm presented here corrects for this bias, resulting in a noticeable improvement in R factors following refinement.

Femtosecond X-ray diffraction from two-dimensional protein crystals

Directory of Open Access Journals (Sweden)

Matthias Frank

2014-03-01

Full Text Available X-ray diffraction patterns from two-dimensional (2-D protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 Å resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.

Super-resolution nanofabrication with metal-ion doped hybrid material through an optical dual-beam approach

International Nuclear Information System (INIS)

Cao, Yaoyu; Li, Xiangping; Gu, Min

2014-01-01

We apply an optical dual-beam approach to a metal-ion doped hybrid material to achieve nanofeatures beyond the optical diffraction limit. By spatially inhibiting the photoreduction and the photopolymerization, we realize a nano-line, consisting of polymer matrix and in-situ generated gold nanoparticles, with a lateral size of sub 100 nm, corresponding to a factor of 7 improvement compared to the diffraction limit. With the existence of gold nanoparticles, a plasmon enhanced super-resolution fabrication mechanism in the hybrid material is observed, which benefits in a further reduction in size of the fabricated feature. The demonstrated nanofeature in hybrid materials paves the way for realizing functional nanostructures

XRD and neutron diffraction analyses of heat treated U-Mo/Al dispersion fuel

Energy Technology Data Exchange (ETDEWEB)

Nam, Ji Min; Kim, Woo Jeong; Ryu, Ho Jin; Lee, Kyu Hong; Park, Jong Man [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-10-15

High density U Mo alloys are regarded as promising candidates for advanced research reactor fuel because they have shown stable irradiation performance when compared to other uranium alloys and compounds. However, interaction layer formation between the U Mo alloys and Al matrix degrades the irradiation performance of U Mo dispersion fuel. Therefore, addition of Ti in U Mo alloys, addition of Si in Al matrix and silicide or nitride coating on the surface of U Mo particles have been proposed in order to inhibit the interaction layer growth. In order to analyze the mechanisms of interaction layer growth inhibition by adding Ti in U Mo alloys or Si in Al matrix, accurate phase characterization of the interaction layers is required. While previous studies using X ray diffraction have been reported, laboratory X ray diffraction method has limitations such as low resolution and small measurement volume. Neutron diffraction method can be a more accurate analysis when compared with X ray diffraction method due to the large penetration depth of neutron. In this study, X ray diffraction and neutron diffraction experiments have been performed by using the laboratory X ray diffractometer and high resolution powder diffractometer (HRPD) of the HANARO research reactor in KAERI.

Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei

International Nuclear Information System (INIS)

Zhuang, Ningning; Seo, Kyung Hye; Chen, Cong; Zhou, Jia; Kim, Seon Won; Lee, Kon Ho

2012-01-01

Recombinant mevalonate kinase from M. mazei has been crystallized. Diffraction data were collected to 2.08 Å resolution. Mevalonate kinase (MVK), which plays an important role in catalysing the biosynthesis of isoprenoid compounds derived from the mevalonate pathway, transforms mevalonate to 5-phosphomevalonate using ATP as a cofactor. Mevalonate kinase from Methanosarcina mazei (MmMVK) was expressed in Escherichia coli, purified and crystallized for structural analysis. Diffraction-quality crystals of MmMVK were obtained by the vapour-diffusion method using 0.32 M MgCl 2 , 0.08 M bis-tris pH 5.5, 16%(w/v) PEG 3350. The crystals belonged to space group P2 1 2 1 2, with unit-cell parameters a = 97.11, b = 135.92, c = 46.03 Å. Diffraction data were collected to 2.08 Å resolution

Preparation, crystallization and X-ray diffraction analysis to 1.5 Å resolution of rat cysteine dioxygenase, a mononuclear iron enzyme responsible for cysteine thiol oxidation

Energy Technology Data Exchange (ETDEWEB)

Simmons, Chad R. [Division of Nutritional Sciences, Cornell University, Ithaca, NY 14853-8001 (United States); Hao, Quan [MacCHESS at the Cornell High Energy Synchrotron Source, Cornell University, Ithaca, NY 14853-8001 (United States); Stipanuk, Martha H., E-mail: mhs6@cornell.edu [Division of Nutritional Sciences, Cornell University, Ithaca, NY 14853-8001 (United States)

2005-11-01

Recombinant rat cysteine dioxygenase (CDO) has been expressed, purified and crystallized and X-ray diffraction data have been collected to 1.5 Å resolution. Cysteine dioxygenase (CDO; EC 1.13.11.20) is an ∼23 kDa non-heme iron metalloenzyme that is responsible for the oxidation of cysteine by O{sub 2}, yielding cysteinesulfinate. CDO catalyzes the first step in the conversion of cysteine to taurine, as well as the first step in the catabolism of cysteine to pyruvate plus sulfate. Recombinant rat CDO was heterologously expressed, purified and crystallized. The protein was expressed as a fusion protein bearing a polyhistidine tag to facilitate purification, a thioredoxin tag to improve solubility and a factor Xa cleavage site to permit removal of the entire N-terminus, leaving only the 200 amino acids inherent to the native protein. A multi-step purification scheme was used to achieve >95% purity of CDO. The optimal CDO crystals diffracted to 1.5 Å resolution and belonged to space group P4{sub 3}2{sub 1}2 or P4{sub 1}2{sub 1}2, with unit-cell parameters a = b = 57.55, c = 123.06 Å, α = β = γ = 90°. CDO shows little homology to any other proteins; therefore, the structure of the enzyme will be determined by ab initio phasing using a selenomethionyl derivative.

High resolution electron exit wave reconstruction from a diffraction pattern using Gaussian basis decomposition

International Nuclear Information System (INIS)

Borisenko, Konstantin B; Kirkland, Angus I

2014-01-01

We describe an algorithm to reconstruct the electron exit wave of a weak-phase object from single diffraction pattern. The algorithm uses analytic formulations describing the diffraction intensities through a representation of the object exit wave in a Gaussian basis. The reconstruction is achieved by solving an overdetermined system of non-linear equations using an easily parallelisable global multi-start search with Levenberg-Marquard optimisation and analytic derivatives

Bunch evolution study in optimization of MeV ultrafast electron diffraction

International Nuclear Information System (INIS)

Lu Xianhai; Du Yingchao; Huang Wenhui; Tang Chuanxiang

2014-01-01

transverse ultrafast electron diffraction (UED) is a promising detection tool for ultrafast processes. The quality of diffraction image is determined by the transverse evolution of the probe bunch. In this paper, we study the contributing terms of the emittance and space charge effects to the bunch evolution in the MeV UED scheme, employing a mean-field model with an ellipsoidal distribution as well as particle tracking simulation. The small transverse dimension of the drive laser is found to be critical to improve the reciprocal resolution, exploiting both smaller emittance and larger transverse bunch size before the solenoid. The degradation of the reciprocal spatial resolution caused by the space charge effects should be carefully controlled. (authors)

Bunch evolution study in optimization of MeV ultrafast electron diffraction

Science.gov (United States)

Lu, Xian-Hai; Du, Ying-Chao; Huang, Wen-Hui; Tang, Chuan-Xiang

2014-12-01

Megaelectronvolt ultrafast electron diffraction (UED) is a promising detection tool for ultrafast processes. The quality of diffraction image is determined by the transverse evolution of the probe bunch. In this paper, we study the contributing terms of the emittance and space charge effects to the bunch evolution in the MeV UED scheme, employing a mean-field model with an ellipsoidal distribution as well as particle tracking simulation. The small transverse dimension of the drive laser is found to be critical to improve the reciprocal resolution, exploiting both smaller emittance and larger transverse bunch size before the solenoid. The degradation of the reciprocal spatial resolution caused by the space charge effects should be carefully controlled.

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures.

Science.gov (United States)

McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

2014-09-01

X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of D-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

Future of Electron Scattering and Diffraction

Energy Technology Data Exchange (ETDEWEB)

Hall, Ernest [GE Global Research, Niskayuna, New York (United States); Stemmer, Susanne [Univ. of California, Santa Barbara, CA (United States); Zheng, Haimei [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zhu, Yimei [Brookhaven National Lab. (BNL), Upton, NY (United States); Maracas, George [Dept. of Energy (DOE), Washington DC (United States). Office of Science

2014-02-25

spectroscopy with high spatial resolution without damaging their structure. The strong interaction of electrons with matter allows high-energy electron pulses to gather structural information before a sample is damaged. Electron ScatteringImaging, diffraction, and spectroscopy are the fundamental capabilities of electron-scattering instruments. The DOE BES-funded TEAM (Transmission Electron Aberration-corrected Microscope) project achieved unprecedented sub-atomic spatial resolution in imaging through aberration-corrected transmission electron microscopy. To further advance electron scattering techniques that directly enable groundbreaking science, instrumentation must advance beyond traditional two-dimensional imaging. Advances in temporal resolution, recording the full phase and energy spaces, and improved spatial resolution constitute a new frontier in electron microscopy, and will directly address the BES Grand Challenges, such as to “control the emergent properties that arise from the complex correlations of atomic and electronic constituents” and the “hidden states” “very far away from equilibrium”. Ultrafast methods, such as the pump-probe approach, enable pathways toward understanding, and ultimately controlling, the chemical dynamics of molecular systems and the evolution of complexity in mesoscale and nanoscale systems. Central to understanding how to synthesize and exploit functional materials is having the ability to apply external stimuli (such as heat, light, a reactive flux, and an electrical bias) and to observe the resulting dynamic process in situ and in operando, and under the appropriate environment (e.g., not limited to UHV conditions). To enable revolutionary advances in electron scattering and science, the participants of the workshop recommended three major new instrumental developments: A. Atomic-Resolution Multi-Dimensional Transmission Electron Microscope: This instrument would provide quantitative information over the entire real space

An information-theoretical approach to image resolution applied to neutron imaging detectors based upon individual discriminator signals

International Nuclear Information System (INIS)

Clergeau, Jean-Francois; Ferraton, Matthieu; Guerard, Bruno; Khaplanov, Anton; Piscitelli, Francesco; Platz, Martin; Rigal, Jean-Marie; Van Esch, Patrick; Daulle, Thibault

2013-06-01

1D or 2D neutron imaging detectors with individual wire or strip readout using discriminators have the advantage of being able to treat several neutron impacts partially overlapping in time, hence reducing global dead time. A single neutron impact usually gives rise to several discriminator signals. In this paper, we introduce an information-theoretical definition of image resolution. Two point-like spots of neutron impacts with a given distance between them act as a source of information (each neutron hit belongs to one spot or the other), and the detector plus signal treatment is regarded as an imperfect communication channel that transmits this information. The maximal mutual information obtained from this channel as a function of the distance between the spots allows to define a calibration-independent measure of resolution. We then apply this measure to quantify the power of resolution of different algorithms treating these individual discriminator signals which can be implemented in firmware. The method is then applied to different detectors existing at the ILL. Center-of-gravity methods usually improve the resolution over best-wire algorithms which are the standard way of treating these signals. (authors)

An information-theoretical approach to image resolution applied to neutron imaging detectors based upon individual discriminator signals

Energy Technology Data Exchange (ETDEWEB)

Clergeau, Jean-Francois; Ferraton, Matthieu; Guerard, Bruno; Khaplanov, Anton; Piscitelli, Francesco; Platz, Martin; Rigal, Jean-Marie; Van Esch, Patrick [Institut Laue Langevin, Neutron Detector Service, Grenoble (France); Daulle, Thibault [PHELMA Grenoble - INP Grenoble (France)

2013-06-15

1D or 2D neutron imaging detectors with individual wire or strip readout using discriminators have the advantage of being able to treat several neutron impacts partially overlapping in time, hence reducing global dead time. A single neutron impact usually gives rise to several discriminator signals. In this paper, we introduce an information-theoretical definition of image resolution. Two point-like spots of neutron impacts with a given distance between them act as a source of information (each neutron hit belongs to one spot or the other), and the detector plus signal treatment is regarded as an imperfect communication channel that transmits this information. The maximal mutual information obtained from this channel as a function of the distance between the spots allows to define a calibration-independent measure of resolution. We then apply this measure to quantify the power of resolution of different algorithms treating these individual discriminator signals which can be implemented in firmware. The method is then applied to different detectors existing at the ILL. Center-of-gravity methods usually improve the resolution over best-wire algorithms which are the standard way of treating these signals. (authors)

Quantitative phase analysis by neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Lee, Chang Hee; Song, Su Ho; Lee, Jin Ho; Shim, Hae Seop [Korea Atomic Energy Research Institute, Taejon (Korea)

1999-06-01

This study is to apply quantitative phase analysis (QPA) by neutron diffraction to the round robin samples provided by the International Union of Crystallography(IUCr). We measured neutron diffraction patterns for mixed samples which have several different weight percentages and their unique characteristic features. Neutron diffraction method has been known to be superior to its complementary methods such as X-ray or Synchrotron, but it is still accepted as highly reliable under limited conditions or samples. Neutron diffraction has strong capability especially on oxides due to its scattering cross-section of the oxygen and it can become a more strong tool for analysis on the industrial materials with this quantitative phase analysis techniques. By doing this study, we hope not only to do one of instrument performance tests on our HRPD but also to improve our ability on the analysis of neutron diffraction data by comparing our QPA results with others from any advanced reactor facilities. 14 refs., 4 figs., 6 tabs. (Author)

X-ray topography under conditions of monochromatic spherical wave diffraction

International Nuclear Information System (INIS)

Aristov, V.V.; Polovinkina, V.I.; Ibhikawa, Tetsuya; Kiduta, Seishi.

1981-01-01

An X-ray topographic scheme was developed in which there is a large distance between the X-ray source and the specimen. A monochromatic X-ray beam with an angular divergence 6 x 10 - 5 rad obtained by double successive diffraction in the (n 1 , +n 2 ) setting was used. This scheme enables diffraction focusing of a weakly absorbed wave field onto the exit surface of the crystal to be performed. Topographs of a wedge-shaped silicon crystal were obtained. Interference effects such as focusing, anomalous and ordinary Pendelloesung effects peculiar to X-ray spherical wave diffraction were observed in the topographs with high resolution. (author)

Improved X-ray diffraction from Bacillus megaterium penicillin G acylase crystals through long cryosoaking dehydration

International Nuclear Information System (INIS)

Rojviriya, Catleya; Pratumrat, Thunyaluck; Saper, Mark A.; Yuvaniyama, Jirundon

2011-01-01

Penicillin G acylase from the Gram-positive bacterium B. megaterium was crystallized and X-ray diffraction from these crystals could be substantially improved by slight dehydration through a long cryo-soak. Penicillin G acylase from Bacillus megaterium (BmPGA) is currently used in the pharmaceutical industry as an alternative to PGA from Escherichia coli (EcPGA) for the hydrolysis of penicillin G to produce 6-aminopenicillanic acid (6-APA), a penam nucleus for semisynthetic penicillins. Despite the significant differences in amino-acid sequence between PGAs from Gram-positive and Gram-negative bacteria, a representative PGA structure of Gram-positive origin has never been reported. In this study, crystallization and diffraction studies of BmPGA are described. Poor diffraction patterns with blurred spots at higher resolution were typical for BmPGA crystals cryocooled after a brief immersion in cryoprotectant solution. Overnight soaking in the same cryo-solution substantially improved both the mosaicity and resolution limit through the establishment of a new crystal-packing equilibrium. A crystal of BmPGA diffracted X-rays to 2.20 Å resolution and belonged to the monoclinic space group P2 1 with one molecule of BmPGA in the asymmetric unit

A wavelet transform algorithm for peak detection and application to powder x-ray diffraction data.

Science.gov (United States)

Gregoire, John M; Dale, Darren; van Dover, R Bruce

2011-01-01

Peak detection is ubiquitous in the analysis of spectral data. While many noise-filtering algorithms and peak identification algorithms have been developed, recent work [P. Du, W. Kibbe, and S. Lin, Bioinformatics 22, 2059 (2006); A. Wee, D. Grayden, Y. Zhu, K. Petkovic-Duran, and D. Smith, Electrophoresis 29, 4215 (2008)] has demonstrated that both of these tasks are efficiently performed through analysis of the wavelet transform of the data. In this paper, we present a wavelet-based peak detection algorithm with user-defined parameters that can be readily applied to the application of any spectral data. Particular attention is given to the algorithm's resolution of overlapping peaks. The algorithm is implemented for the analysis of powder diffraction data, and successful detection of Bragg peaks is demonstrated for both low signal-to-noise data from theta-theta diffraction of nanoparticles and combinatorial x-ray diffraction data from a composition spread thin film. These datasets have different types of background signals which are effectively removed in the wavelet-based method, and the results demonstrate that the algorithm provides a robust method for automated peak detection.

Crystallization and preliminary X-ray diffraction analysis of red clover necrotic mosaic virus

International Nuclear Information System (INIS)

Martin, Stanton L.; Guenther, Richard H.; Sit, Tim L.; Swartz, Paul D.; Meilleur, Flora; Lommel, Steven A.; Rose, Robert B.

2010-01-01

Virions of red clover necrotic mosaic virus have been purified and crystallized. The space group was determined to be I23, with unit-cell parameter a = 377.8 Å. The crystals diffracted to 4 Å resolution. Red clover necrotic mosaic virus (RCNMV) is a species that belongs to the Tombusviridae family of plant viruses with a T = 3 icosahedral capsid. RCNMV virions were purified and were crystallized for X-ray analysis using the hanging-drop vapor-diffusion method. Self-rotation functions and systematic absences identified the space group as I23, with two virions in the unit cell. The crystals diffracted to better than 4 Å resolution but were very radiation-sensitive, causing rapid decay of the high-resolution reflections. The data were processed to 6 Å in the analysis presented here

Time-Resolved Soft X-ray Diffraction Reveals Transient Structural Distortions of Ternary Liquid Crystals

Directory of Open Access Journals (Sweden)

Klaus Mann

2009-11-01

Full Text Available Home-based soft X-ray time-resolved scattering experiments with nanosecond time resolution (10 ns and nanometer spatial resolution were carried out at a table top soft X-ray plasma source (2.2–5.2 nm. The investigated system was the lyotropic liquid crystal C16E7/paraffin/glycerol/formamide/IR 5. Usually, major changes in physical, chemical, and/or optical properties of the sample occur as a result of structural changes and shrinking morphology. Here, these effects occur as a consequence of the energy absorption in the sample upon optical laser excitation in the IR regime. The liquid crystal shows changes in the structural response within few hundred nanoseconds showing a time decay of 182 ns. A decrease of the Bragg peak diffracted intensity of 30% and a coherent macroscopic movement of the Bragg reflection are found as a response to the optical pump. The Bragg reflection movement is established to be isotropic and diffusion controlled (1 μs. Structural processes are analyzed in the Patterson analysis framework of the time-varying diffraction peaks revealing that the inter-lamellar distance increases by 2.7 Å resulting in an elongation of the coherently expanding lamella crystallite. The present studies emphasize the possibility of applying TR-SXRD techniques for studying the mechanical dynamics of nanosystems.

Miniaturized diffraction based interferometric distance measurement sensor

Science.gov (United States)

Kim, Byungki

In this thesis, new metrology hardware is designed, fabricated, and tested to provide improvements over current MEMS metrology. The metrology system is a micromachined scanning interferometer (muSI) having a sub-nm resolution in a compact design. The proposed microinterferometer forms a phase sensitive diffraction grating with interferomeric sensitivity, while adding the capability of better lateral resolution by focusing the laser to a smaller spot size. A detailed diffraction model of the microinterferometer was developed to simulate the device performance and to suggest the location of photo detectors for integrated optoelectronics. A particular device is fabricated on a fused silica substrate using aluminum to form the deformable diffraction grating fingers and AZ P4620 photo resist (PR) for the microlens. The details of the fabrication processes are presented. The structure also enables optoelectronics to be integrated so that the interferometer with photo detectors can fit in an area that is 1 mm x 1 mm. The scanning results using a fixed grating muSI demonstrated that it could measure vibration profile as well as static vertical (less than a half wave length) and lateral dimension of MEMS. The muSI, which is integrated with photo diodes, demonstrated its operation by scanning a cMUT. The PID control has been tested and resulted in improvement in scanned images. The integrated muSI demonstrated that the deformable grating could be used to tune the measurement keep the interferometer in quadrature for highest sensitivity.

Crystallization and diffraction analysis of β-N-acetylhexosaminidase from Aspergillus oryzae

International Nuclear Information System (INIS)

Vaněk, Ondřej; Brynda, Jiří; Hofbauerová, Kateřina; Kukačka, Zdeněk; Pachl, Petr; Bezouška, Karel; Řezáčová, Pavlína

2011-01-01

The fungal β-N-acetylhexosaminidase from A. oryzae was crystallized and diffraction data were collected from two crystal forms to 3.2 and 2.4 Å resolution, respectively. Fungal β-N-acetylhexosaminidases are enzymes that are used in the chemoenzymatic synthesis of biologically interesting oligosaccharides. The enzyme from Aspergillus oryzae was produced and purified from its natural source and crystallized using the hanging-drop vapour-diffusion method. Diffraction data from two crystal forms (primitive monoclinic and primitive tetragonal) were collected to resolutions of 3.2 and 2.4 Å, respectively. Electrophoretic and quantitative N-terminal protein-sequencing analyses confirmed that the crystals are formed by a complete biologically active enzyme consisting of a glycosylated catalytic unit and a noncovalently attached propeptide

High resolution transmission imaging without lenses

International Nuclear Information System (INIS)

Rodenburg, J M; Hurst, A C; Maiden, A

2010-01-01

The whole history of transmission imaging has been dominated by the lens, whether used in visible-light optics, electron optics or X-ray optics. Lenses can be thought of as a very efficient method of processing a wave front scattered from an object into an image of that object. An alternative approach is to undertake this image-formation process using a computational technique. The crudest scattering experiment is to simply record the intensity of a diffraction pattern. Recent progress in so-called diffractive imaging has shown that it is possible to recover the phase of a scattered wavefield from its diffraction pattern alone, as long as the object (or the illumination on the object) is of finite extent. In this paper we present results from a very efficient phase retrieval method which can image infinitely large fields of view. It may have important applications in improving resolution in electron microscopy, or at least allowing low specification microscopes to achieve resolution comparable to state-of-the-art machines.

Size effect in X-ray and electron diffraction patterns from hydroxyapatite particles

International Nuclear Information System (INIS)

Suvorova, E.I.; Buffat, P.-A.

2001-01-01

High-resolution transmission electron microscopy (HRTEM), electron microdiffraction, and X-ray diffraction were used to study hydroxyapatite specimens with particle sizes from a few nanometers to several hundreds of nanometers. Diffuse scattering (without clear reflections in transmission diffraction patterns) or strongly broadened peaks in X-ray diffraction patterns are characteristic for agglomerated hydroxyapatite nanocrystals. However, HRTEM and microdiffraction showed that this cannot be considered as an indication of the amorphous state of the matter but rather as the demonstration of size effect and the morphological and structural features of hydroxyapatite nanocrystals

Application of modified analytical function for approximation and computer simulation of diffraction profile

International Nuclear Information System (INIS)

Marrero, S. I.; Turibus, S. N.; Assis, J. T. De; Monin, V. I.

2011-01-01

Data processing of the most of diffraction experiments is based on determination of diffraction line position and measurement of broadening of diffraction profile. High precision and digitalisation of these procedures can be resolved by approximation of experimental diffraction profiles by analytical functions. There are various functions for these purposes both simples, like Gauss function, but no suitable for wild range of experimental profiles and good approximating functions but complicated for practice using, like Vougt or PersonVII functions. Proposed analytical function is modified Cauchy function which uses two variable parameters allowing describing any experimental diffraction profile. In the presented paper modified function was applied for approximation of diffraction lines of steels after various physical and mechanical treatments and simulation of diffraction profiles applied for study of stress gradients and distortions of crystal structure. (Author)

Methods for the performance enhancement and the error characterization of large diameter ground-based diffractive telescopes.

Science.gov (United States)

Zhang, Haolin; Liu, Hua; Lizana, Angel; Xu, Wenbin; Caompos, Juan; Lu, Zhenwu

2017-10-30

This paper is devoted to the improvement of ground-based telescopes based on diffractive primary lenses, which provide larger aperture and relaxed surface tolerance compared to non-diffractive telescopes. We performed two different studies devised to thoroughly characterize and improve the performance of ground-based diffractive telescopes. On the one hand, we experimentally validated the suitability of the stitching error theory, useful to characterize the error performance of subaperture diffractive telescopes. On the other hand, we proposed a novel ground-based telescope incorporated in a Cassegrain architecture, leading to a telescope with enhanced performance. To test the stitching error theory, a 300 mm diameter, 2000 mm focal length transmissive stitching diffractive telescope, based on a three-belt subaperture primary lens, was designed and implemented. The telescope achieves a 78 cy/mm resolution within 0.15 degree field of view while the working wavelength ranges from 582.8 nm to 682.8 nm without any stitching error. However, the long optical track (35.49 m) introduces air turbulence that reduces the final images contrast in the ground-based test. To enhance this result, a same diameter compacted Cassegrain ground-based diffractive (CGD) telescope with the total track distance of 1.267 m, was implemented within the same wavelength. The ground-based CGD telescope provides higher resolution and better contrast than the transmissive configuration. Star and resolution tests were experimentally performed to compare the CGD and the transmissive configurations, providing the suitability of the proposed ground-based CGD telescope.

Time-resolved diffraction studies of muscle using synchrotron radiation

International Nuclear Information System (INIS)

Harford, Jeffrey; Squire, John

1997-01-01

Muscle contraction is one of those biological phenomena that we can all appreciate in our everyday lives. Sometimes it is when we are resting quietly and are aware of our heartbeat. At other times it may be when we are exerting ourselves and become short of breath, or when we exercise for a long period and our muscles start to ache. The way in which muscles produce force has exercised the minds of philosophers and scientists at least since the days of Erasistratus in the third century BC. Nowadays, of course, we know a very great deal about muscle structure, physiology and biochemistry, but we still do not know exactly what the molecular process is that produces movement. An ideal way of probing this process would be to be able to obtain signals from the relevant molecules as they actually go through their normal force-generating routine in an active muscle. The spatial dimensions involved are in the region of 1-50 nm, thus precluding the use of light microscopy, and the time regime is microseconds to milliseconds. Techniques with the appropriate spatial resolution might be electron microscopy and x-ray diffraction, but electron microscopy cannot yet be carried out on living tissue. X-ray diffraction methods can clearly have the right sort of spatial resolution, but what about recording diffraction patterns in the very short times involved (say 1 ms)? It is here that the high flux from synchrotron storage rings comes into its own. Using synchrotron radiation from, say, the SRS at the CCLRC Daresbury Laboratory it is possible to record x-ray diffraction patterns from living muscles in the millisecond time regime and to follow how these diffraction patterns change as the muscles go through typical contraction cycles. Unfortunately, x-ray diffraction is not a direct imaging method; the observed distribution of diffracted intensity needs to be interpreted in some way to give useful information on the spatial relationships of the force-generating molecules. This review

High-resolution X-ray diffraction characterisation of piezoelectric InGaAs / GaAs multiquantum wells and superlattices on (111)B GaAs

Energy Technology Data Exchange (ETDEWEB)

Sanz-Hervas, A.; Aguilar, M. [Madrid, Univ. (Spain). Dept. Tecnologia Electronica. E.T.S.I. Telecomunicacion; Lopez, M.; Llorente, C.; Lorenzo, R.; Abril, E. J. [Valladolid, Real de Burgos Univ. (Spain). Dept. Teoria de la Senal u Comunicaciones e Ingegneria Telematica. E.T.S.I. Telecomunicacion; Sacedon, A.; Sanchez, J. L.; Calleja, E.; Munoz, E. [Madrid, Univ. (Spain). Dept. Ingegnieria Electronica. E.T.S.I. Telecomunicacion

1997-02-01

In this paper the authors show some examples of strained InGaAs / GaAs multilayers on (111)B GaAs substrates studied by high-resolution X-ray diffractometry. The samples consisted of a multiquantum well or superlattice embedded in the intrinsic region of a p-i-n photodiode. They have analysed piezoelectric (111)B structures with 3, 7, 10, and 40 periods and different indium contents and compared the results with identical structures simultaneously grown on (001) substrates. The interpretation of the diffraction profiles has been carried out with a computer simulation model developed in our labs, which allows the calculation of symmetric and asymmetric reflections regardless of the substrate orientation or miscut angle. The agreement between the experimental scans and the theory was very satisfactory in all the samples, which has enabled us to determine the main structural parameters of the diodes, Asymmetric 224{+-} reflections on (111)B structures have been simulated for the first time. They have also compared the structural parameters obtained by high-resolution X-ray diffractometry with the results deduced from photoluminescence and photocurrent spectroscopies.

High-resolution X-ray diffraction characterisation of piezoelectric InGaAs / GaAs multiquantum wells and superlattices on (111)B GaAs

International Nuclear Information System (INIS)

Sanz-Hervas, A.; Aguilar, M.; Lopez, M.; Llorente, C.; Lorenzo, R.; Abril, E. J.; Sacedon, A.; Sanchez, J. L.; Calleja, E.; Munoz, E.

1997-01-01

In this paper the authors show some examples of strained InGaAs / GaAs multilayers on (111)B GaAs substrates studied by high-resolution X-ray diffractometry. The samples consisted of a multiquantum well or superlattice embedded in the intrinsic region of a p-i-n photodiode. They have analysed piezoelectric (111)B structures with 3, 7, 10, and 40 periods and different indium contents and compared the results with identical structures simultaneously grown on (001) substrates. The interpretation of the diffraction profiles has been carried out with a computer simulation model developed in our labs, which allows the calculation of symmetric and asymmetric reflections regardless of the substrate orientation or miscut angle. The agreement between the experimental scans and the theory was very satisfactory in all the samples, which has enabled us to determine the main structural parameters of the diodes, Asymmetric 224± reflections on (111)B structures have been simulated for the first time. They have also compared the structural parameters obtained by high-resolution X-ray diffractometry with the results deduced from photoluminescence and photocurrent spectroscopies

X-ray diffraction microscopy based on refractive optics

DEFF Research Database (Denmark)

Poulsen, Henning Friis; Jakobsen, A. C.; Simons, Hugh

2017-01-01

A formalism is presented for dark‐field X‐ray microscopy using refractive optics. The new technique can produce three‐dimensional maps of lattice orientation and axial strain within millimetre‐sized sampling volumes and is particularly suited to in situ studies of materials at hard X‐ray energies....... An objective lens in the diffracted beam magnifies the image and acts as a very efficient filter in reciprocal space, enabling the imaging of individual domains of interest with a resolution of 100 nm. Analytical expressions for optical parameters such as numerical aperture, vignetting, and the resolution...

Modern trends in x-ray powder diffraction

International Nuclear Information System (INIS)

Goebel, H.E.; Snyder, R.L.

1985-01-01

The revival of interest in X-ray powder diffraction, being quoted as a metamorphosis from the 'ugly duckling' to a 'beautiful swan', can be attributed to a number of modern developments in instrumentation and evaluation software. They result in faster data collection, improved accuracy and resolution, and better detectability of minor phases. The ease of data evaluation on small computers coupled direct to the instrument allows convenient execution of previously tedious and time-consuming off-line tasks like qualitative and quantitative analysis, characterization of microcrystalline properties, indexing, and lattice-constant refinements, as well as structure refinements or even exploration of new crystal structures. Powder diffraction has also progressed from an isolated analytical laboratory method to an in situ technique for analysing solid-state reactions or for the on-stream control of industrial processes. The paper surveys these developments and their real and potential applications, and tries to emphasize new trends that are regarded as important steps for the further progress of X-ray powder diffraction

Femtosecond electron diffraction. Next generation electron sources for atomically resolved dynamics

Energy Technology Data Exchange (ETDEWEB)

Hirscht, Julian

2015-08-15

Three instruments for femtosecond electron diffraction (FED) experiments were erected, partially commissioned and used for first diffraction experiments. The Relativistic Electron Gun for Atomic Exploration (REGAE) was completed by beamline elements including supports, a specimen chamber and dark current or electron beam collimating elements such that the commissioning process, including first diffraction experiments in this context, could be started. The temporal resolution of this machine is simulated to be 25 fs (fwhm) short, while a transverse coherence length of 30 nm (fwhm) is feasible to resolve proteins on this scale. Whether this machine is capable of meeting these predictions or whether the dynamics of the electron beam will stay limited by accelerator components, is not finally determined by the end of this work, because commissioning and improvement of accelerator components is ongoing. Simultaneously, a compact DC electron diffraction apparatus, the E-Gun 300, designed for solid and liquid specimens and a target electron energy of 300 keV, was built. Fundamental design issues of the high potential carrying and beam generating components occurred and are limiting the maximum potential and electron energy to 120 keV. Furthermore, this is limiting the range of possible applications and consequently the design and construction of a brand new instrument began. The Femtosecond Electron Diffraction CAmera for Molecular Movies (FED-CAMM) bridges the performance problems of very high electric potentials and provides optimal operational conditions for all applied electron energies up to 300 keV. The variability of gap spacings and optimized manufacturing of the high voltage electrodes lead to the best possible electron pulse durations obtainable with a compact DC setup, that does not comprise of rf-structures. This third apparatus possesses pulse durations just a few tenth femtoseconds apart from the design limit of the highly relativistic REGAE and combines the

Femtosecond electron diffraction. Next generation electron sources for atomically resolved dynamics

International Nuclear Information System (INIS)

Hirscht, Julian

2015-08-01

Three instruments for femtosecond electron diffraction (FED) experiments were erected, partially commissioned and used for first diffraction experiments. The Relativistic Electron Gun for Atomic Exploration (REGAE) was completed by beamline elements including supports, a specimen chamber and dark current or electron beam collimating elements such that the commissioning process, including first diffraction experiments in this context, could be started. The temporal resolution of this machine is simulated to be 25 fs (fwhm) short, while a transverse coherence length of 30 nm (fwhm) is feasible to resolve proteins on this scale. Whether this machine is capable of meeting these predictions or whether the dynamics of the electron beam will stay limited by accelerator components, is not finally determined by the end of this work, because commissioning and improvement of accelerator components is ongoing. Simultaneously, a compact DC electron diffraction apparatus, the E-Gun 300, designed for solid and liquid specimens and a target electron energy of 300 keV, was built. Fundamental design issues of the high potential carrying and beam generating components occurred and are limiting the maximum potential and electron energy to 120 keV. Furthermore, this is limiting the range of possible applications and consequently the design and construction of a brand new instrument began. The Femtosecond Electron Diffraction CAmera for Molecular Movies (FED-CAMM) bridges the performance problems of very high electric potentials and provides optimal operational conditions for all applied electron energies up to 300 keV. The variability of gap spacings and optimized manufacturing of the high voltage electrodes lead to the best possible electron pulse durations obtainable with a compact DC setup, that does not comprise of rf-structures. This third apparatus possesses pulse durations just a few tenth femtoseconds apart from the design limit of the highly relativistic REGAE and combines the

High current table-top setup for femtosecond gas electron diffraction

Directory of Open Access Journals (Sweden)

Omid Zandi

2017-07-01

Full Text Available We have constructed an experimental setup for gas phase electron diffraction with femtosecond resolution and a high average beam current. While gas electron diffraction has been successful at determining molecular structures, it has been a challenge to reach femtosecond resolution while maintaining sufficient beam current to retrieve structures with high spatial resolution. The main challenges are the Coulomb force that leads to broadening of the electron pulses and the temporal blurring that results from the velocity mismatch between the laser and electron pulses as they traverse the sample. We present here a device that uses pulse compression to overcome the Coulomb broadening and deliver femtosecond electron pulses on a gas target. The velocity mismatch can be compensated using laser pulses with a tilted intensity front to excite the sample. The temporal resolution of the setup was determined with a streak camera to be better than 400 fs for pulses with up to half a million electrons and a kinetic energy of 90 keV. The high charge per pulse, combined with a repetition rate of 5 kHz, results in an average beam current that is between one and two orders of magnitude higher than previously demonstrated.

Strain mapping under spherical indentations using transmission Kikuchi diffraction

International Nuclear Information System (INIS)

Cackett, A.; Hardie, C.; Wilkinson, A.; Dicks, K.

2015-01-01

Due to restrictions on both the specimen volumes available and the activity levels research facilities can handle, testing techniques on the micron-scale are very attractive for the study of irradiated material. However, the results of such small tests are convoluted by plasticity size-effects. Spherical nano-indentation is increasingly used to probe irradiated material, but to characterise the area of plastic deformation surrounding indentations a method capable of providing crystallographic information at extremely high spatial resolution is required. Transmission Kikuchi Diffraction (TKD) is a novel diffraction technique that can be performed in a scanning electron microscope. Using this technique, spatial resolutions below 10 nm have been achieved. Initial results, shown here, demonstrate the use of TKD in mapping the lattice rotations caused by indentation produced with a spherical diamond tip. With the addition of strain mapping software the plastic zone size was also evaluated for the first time using diffraction patterns generated via TKD. For a tip of radius 15 μm, inserted into Fe to a strain of 0.07, the plastic zone was observed to extend 1.3 μm to either side of the incident location of indentation and the deformation depth was approximately 0.5 μm. (authors)

Analysis of Arbitrary Reflector Antennas Applying the Geometrical Theory of Diffraction Together with the Master Points Technique

Directory of Open Access Journals (Sweden)

María Jesús Algar

2013-01-01

Full Text Available An efficient approach for the analysis of surface conformed reflector antennas fed arbitrarily is presented. The near field in a large number of sampling points in the aperture of the reflector is obtained applying the Geometrical Theory of Diffraction (GTD. A new technique named Master Points has been developed to reduce the complexity of the ray-tracing computations. The combination of both GTD and Master Points reduces the time requirements of this kind of analysis. To validate the new approach, several reflectors and the effects on the radiation pattern caused by shifting the feed and introducing different obstacles have been considered concerning both simple and complex geometries. The results of these analyses have been compared with the Method of Moments (MoM results.

Detectors for X-ray diffraction and scattering: a user's overview

International Nuclear Information System (INIS)

Bruegemann, Lutz; Gerndt, E.K.E.

2004-01-01

An overview of the applications of X-ray detectors to material research is given. Four experimental techniques and their specific detector requirements are described. Detector types are classified and critical parameters described in the framework of X-ray diffraction and X-ray scattering experiments. The article aims at building a bridge between detector end-users and detector developers. It gives limits of critical detector parameters, like angular resolution, energy resolution, dynamic range, and active area

Diffractive flat panel solar concentrators of a novel design

NARCIS (Netherlands)

De Jong, T.M.; de Boer, D.K.G.; Bastiaansen, C.W.M.

2016-01-01

A novel design for a flat panel solar concentrator is presented which is based on a light guide with a grating applied on top that diffracts light into total internal reflection. By combining geometrical and diffractive optics the geometrical concentration ratio is optimized according to the

A pseudospectral collocation time-domain method for diffractive optics

DEFF Research Database (Denmark)

Dinesen, P.G.; Hesthaven, J.S.; Lynov, Jens-Peter

2000-01-01

We present a pseudospectral method for the analysis of diffractive optical elements. The method computes a direct time-domain solution of Maxwell's equations and is applied to solving wave propagation in 2D diffractive optical elements. (C) 2000 IMACS. Published by Elsevier Science B.V. All rights...

Dark-field imaging based on post-processed electron backscatter diffraction patterns of bulk crystalline materials in a scanning electron microscope.

Science.gov (United States)

Brodusch, Nicolas; Demers, Hendrix; Gauvin, Raynald

2015-01-01

Dark-field (DF) images were acquired in the scanning electron microscope with an offline procedure based on electron backscatter diffraction (EBSD) patterns (EBSPs). These EBSD-DF images were generated by selecting a particular reflection on the electron backscatter diffraction pattern and by reporting the intensity of one or several pixels around this point at each pixel of the EBSD-DF image. Unlike previous studies, the diffraction information of the sample is the basis of the final image contrast with a pixel scale resolution at the EBSP providing DF imaging in the scanning electron microscope. The offline facility of this technique permits the selection of any diffraction condition available in the diffraction pattern and displaying the corresponding image. The high number of diffraction-based images available allows a better monitoring of deformation structures compared to electron channeling contrast imaging (ECCI) which is generally limited to a few images of the same area. This technique was applied to steel and iron specimens and showed its high capability in describing more rigorously the deformation structures around micro-hardness indents. Due to the offline relation between the reference EBSP and the EBSD-DF images, this new technique will undoubtedly greatly improve our knowledge of deformation mechanism and help to improve our understanding of the ECCI contrast mechanisms. Copyright © 2014 Elsevier B.V. All rights reserved.

Protein crystal structure analysis using synchrotron radiation at atomic resolution

International Nuclear Information System (INIS)

Nonaka, Takamasa

1999-01-01

We can now obtain a detailed picture of protein, allowing the identification of individual atoms, by interpreting the diffraction of X-rays from a protein crystal at atomic resolution, 1.2 A or better. As of this writing, about 45 unique protein structures beyond 1.2 A resolution have been deposited in the Protein Data Bank. This review provides a simplified overview of how protein crystallographers use such diffraction data to solve, refine, and validate protein structures. (author)

Experimental coherent X-ray diffractive imaging: capabilities and limitations of the technique

International Nuclear Information System (INIS)

Schropp, Andreas

2008-08-01

The investigations pursued during this work were focused on the testing of the applicability of the coherent X-ray diffractive imaging(CXDI)-method in the hard X-ray regime and different measurements were carried out at photon energies between 7 keV and 10 keV. The samples investigated were lithographically prepared two-dimensional gold structures with a size ranging from 3 μm to 10 μm as well as a cluster of gold spheres with a lateral extension of about 3.5 μm. Continuous diffraction patterns were recorded in small angle scattering geometry. In some of the measurements a scattering signal up to the edge of the detector could be measured which corresponds to a lateral resolution of about 30 nm. For certain samples it was possible to reconstruct the object from the measured diffraction data. Since the scattered intensity of non-periodic objects is weak at large scattering angles, the available photon flux is finally the main limitation of the method with regard to the achievable resolution. The experimental data were used to get an estimate of photon flux required for sub-nanometer resolution. The ptychographic iterative phase retrieval algorithm proposed by J. M. Rodenburg et al. (2004) was implemented and tested on simulated diffraction data. Additionally, a genetic algorithm has been developed and implemented for phase retrieval. This algorithm is very different from state-of-the-art algorithms and allows to introduce further experimentally important parameters such as a certain illumination function and partial coherence of the X-ray light. (orig.)

Diffraction contrast imaging using virtual apertures

International Nuclear Information System (INIS)

Gammer, Christoph; Burak Ozdol, V.; Liebscher, Christian H.; Minor, Andrew M.

2015-01-01

Two methods on how to obtain the full diffraction information from a sample region and the associated reconstruction of images or diffraction patterns using virtual apertures are demonstrated. In a STEM-based approach, diffraction patterns are recorded for each beam position using a small probe convergence angle. Similarly, a tilt series of TEM dark-field images is acquired. The resulting datasets allow the reconstruction of either electron diffraction patterns, or bright-, dark- or annular dark-field images using virtual apertures. The experimental procedures of both methods are presented in the paper and are applied to a precipitation strengthened and creep deformed ferritic alloy with a complex microstructure. The reconstructed virtual images are compared with conventional TEM images. The major advantage is that arbitrarily shaped virtual apertures generated with image processing software can be designed without facing any physical limitations. In addition, any virtual detector that is specifically designed according to the underlying crystal structure can be created to optimize image contrast. - Highlights: • A dataset containing all structural information of a given position is recorded. • The dataset allows reconstruction of virtual diffraction patterns or images. • Specific virtual apertures are designed to image precipitates in a complex alloy. • Virtual diffraction patterns from arbitrarily small regions can be established. • Using STEM diffraction to record the dataset is more efficient than TEM dark-field

Femtosecond X-ray diffraction from an aerosolized beam of protein nanocrystals.

Science.gov (United States)

Awel, Salah; Kirian, Richard A; Wiedorn, Max O; Beyerlein, Kenneth R; Roth, Nils; Horke, Daniel A; Oberthür, Dominik; Knoska, Juraj; Mariani, Valerio; Morgan, Andrew; Adriano, Luigi; Tolstikova, Alexandra; Xavier, P Lourdu; Yefanov, Oleksandr; Aquila, Andrew; Barty, Anton; Roy-Chowdhury, Shatabdi; Hunter, Mark S; James, Daniel; Robinson, Joseph S; Weierstall, Uwe; Rode, Andrei V; Bajt, Saša; Küpper, Jochen; Chapman, Henry N

2018-02-01

High-resolution Bragg diffraction from aerosolized single granulovirus nanocrystals using an X-ray free-electron laser is demonstrated. The outer dimensions of the in-vacuum aerosol injector components are identical to conventional liquid-microjet nozzles used in serial diffraction experiments, which allows the injector to be utilized with standard mountings. As compared with liquid-jet injection, the X-ray scattering background is reduced by several orders of magnitude by the use of helium carrier gas rather than liquid. Such reduction is required for diffraction measurements of small macromolecular nanocrystals and single particles. High particle speeds are achieved, making the approach suitable for use at upcoming high-repetition-rate facilities.

Crystallization and preliminary X-ray diffraction analysis of the middle domain of Paip1

International Nuclear Information System (INIS)

Kanaan, Ahmad Seif; Frank, Filipp; Maedler-Kron, Chelsea; Verma, Karan; Sonenberg, Nahum; Nagar, Bhushan

2009-01-01

The crystallization of the putative MIF4G domain of Paip1 is described. The crystals belonged to the monoclinic space group P2 1 and diffracted X-rays to beyond 2.2 Å resolution. The poly(A)-binding protein (PABP) simultaneously interacts with the poly(A) tail of mRNAs and the scaffolding protein eIF4G to mediate mRNA circularization, resulting in stimulation of protein translation. PABP is regulated by the PABP-interacting protein Paip1. Paip1 is thought to act as a translational activator in 5′ cap-dependent translation by interacting with PABP and the initiation factors eIF4A and eIF3. Here, the crystallization and preliminary diffraction analysis of the middle domain of Paip1 (Paip1M), which produces crystals that diffract to a resolution of 2.2 Å, are presented

A versatile diffractive maskless lithography for single-shot and serial microfabrication.

Science.gov (United States)

Jenness, Nathan J; Hill, Ryan T; Hucknall, Angus; Chilkoti, Ashutosh; Clark, Robert L

2010-05-24

We demonstrate a diffractive maskless lithographic system that is capable of rapidly performing both serial and single-shot micropatterning. Utilizing the diffractive properties of phase holograms displayed on a spatial light modulator, arbitrary intensity distributions were produced to form two and three dimensional micropatterns/structures in a variety of substrates. A straightforward graphical user interface was implemented to allow users to load templates and change patterning modes within the span of a few minutes. A minimum resolution of approximately 700 nm is demonstrated for both patterning modes, which compares favorably to the 232 nm resolution limit predicted by the Rayleigh criterion. The presented method is rapid and adaptable, allowing for the parallel fabrication of microstructures in photoresist as well as the fabrication of protein microstructures that retain functional activity.

Reduction reactions applied for synthesizing different nano-structured materials

Energy Technology Data Exchange (ETDEWEB)

Albuquerque Brocchi, Eduardo de; Correia de Siqueira, Rogério Navarro [Department of Materials Engineering, PUC-Rio, Rua Marquês de São Vicente, 225, Gávea, 22453-900 Rio de Janeiro, RJ (Brazil); Motta, Marcelo Senna [Basck Ltd. (United Kingdom); Moura, Francisco José, E-mail: moura@puc-rio.br [Department of Materials Engineering, PUC-Rio, Rua Marquês de São Vicente, 225, Gávea, 22453-900 Rio de Janeiro, RJ (Brazil); Solórzano-Naranjo, Ivan Guillermo [Department of Materials Engineering, PUC-Rio, Rua Marquês de São Vicente, 225, Gávea, 22453-900 Rio de Janeiro, RJ (Brazil)

2013-06-15

Different materials have been synthesized by alternative routes: nitrates thermal decomposition to prepare oxide or co-formed oxides and reduction by hydrogen or graphite to obtain mixed oxides, composites or alloys. These chemical-based synthesis routes are described and thermodynamics studies and kinetics data are presented to support its feasibility. In addition, selective reduction reactions have been applied to successfully produce metal/ceramic composites, and alloys. Structural characterization has been carried out by X-ray Diffraction and, more extensively, Transmission Electron Microscopy operating in conventional diffraction contrast (CTEM) and high-resolution mode (HRTEM), indicated the possibility of obtaining oxide and alloy crystals of sizes ranging between 20 and 40 nm. - Highlights: • The viability in obtaining Ni–Co, Cu–Al, Mn–Al co-formed nano oxides was evaluated. • Partial and complete H{sub 2} reduction were used to produce alloy, composite and Spinel. • XRD, TEM and HREM techniques were used to characterize the obtained nanostructures.

A preliminary neutron diffraction study of rasburicase, a recombinant urate oxidase enzyme, complexed with 8-azaxanthin

Energy Technology Data Exchange (ETDEWEB)

Budayova-Spano, Monika, E-mail: spano@embl-grenoble.fr [European Molecular Biology Laboratory Grenoble Outstation, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue-Langevin, 6 Rue Jules Horowitz, BP 156, 38042 Grenoble (France); Bonneté, Françoise; Ferté, Natalie [Centre de Recherche en Matière Condensée et Nanosciences, Campus de Luminy, Case 913, 13288 Marseille (France); El Hajji, Mohamed [Sanofi-Aventis, 371 Rue du Professeur Blayac, 34184 Montpellier (France); Meilleur, Flora [Institut Laue-Langevin, 6 Rue Jules Horowitz, BP 156, 38042 Grenoble (France); Blakeley, Matthew Paul [European Molecular Biology Laboratory Grenoble Outstation, 6 Rue Jules Horowitz, 38042 Grenoble (France); Castro, Bertrand [Sanofi-Aventis, 371 Rue du Professeur Blayac, 34184 Montpellier (France); European Molecular Biology Laboratory Grenoble Outstation, 6 Rue Jules Horowitz, 38042 Grenoble (France)

2006-03-01

Neutron diffraction data of hydrogenated recombinant urate oxidase enzyme (Rasburicase), complexed with a purine-type inhibitor 8-azaxanthin, was collected to 2.1 Å resolution from a crystal grown in D{sub 2}O by careful control and optimization of crystallization conditions via knowledge of the phase diagram. Deuterium atoms were clearly seen in the neutron-scattering density map. Crystallization and preliminary neutron diffraction measurements of rasburicase, a recombinant urate oxidase enzyme expressed by a genetically modified Saccharomyces cerevisiae strain, complexed with a purine-type inhibitor (8-azaxanthin) are reported. Neutron Laue diffraction data were collected to 2.1 Å resolution using the LADI instrument from a crystal (grown in D{sub 2}O) with volume 1.8 mm{sup 3}. The aim of this neutron diffraction study is to determine the protonation states of the inhibitor and residues within the active site. This will lead to improved comprehension of the enzymatic mechanism of this important enzyme, which is used as a protein drug to reduce toxic uric acid accumulation during chemotherapy. This paper illustrates the high quality of the neutron diffraction data collected, which are suitable for high-resolution structural analysis. In comparison with other neutron protein crystallography studies to date in which a hydrogenated protein has been used, the volume of the crystal was relatively small and yet the data still extend to high resolution. Furthermore, urate oxidase has one of the largest primitive unit-cell volumes (space group I222, unit-cell parameters a = 80, b = 96, c = 106 Å) and molecular weights (135 kDa for the homotetramer) so far successfully studied with neutrons.

X-ray diffraction at Bragg angles around π/2

International Nuclear Information System (INIS)

Mayolo, C.M.G. de.

1991-01-01

X-ray diffraction at Bragg angles around π/2 is studied from the theoretical and experimental points of view. The proposed corrections to the dynamical theory in the θ β ≅ π/2 cases, has been reviewed showing the equivalence between two formalisms leading to a corrected expression for the dependence of the angular parameter y with the angle of incidence. An expression for y valid in the conventional and θ β ≅ π/2 cases has been obtained. A general expression for Bragg law and for energy resolution after a Bragg diffraction was also deduced. (author)

High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal-organic framework material HKUST-1

Science.gov (United States)

Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Millange, Franck; Walton, Richard I.

2013-12-01

We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal-organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal-organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.

The effect of pattern overlap on the accuracy of high resolution electron backscatter diffraction measurements

Energy Technology Data Exchange (ETDEWEB)

Tong, Vivian, E-mail: v.tong13@imperial.ac.uk [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Jiang, Jun [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Britton, T. Ben [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom)

2015-08-15

High resolution, cross-correlation-based, electron backscatter diffraction (EBSD) measures the variation of elastic strains and lattice rotations from a reference state. Regions near grain boundaries are often of interest but overlap of patterns from the two grains could reduce accuracy of the cross-correlation analysis. To explore this concern, patterns from the interior of two grains have been mixed to simulate the interaction volume crossing a grain boundary so that the effect on the accuracy of the cross correlation results can be tested. It was found that the accuracy of HR-EBSD strain measurements performed in a FEG-SEM on zirconium remains good until the incident beam is less than 18 nm from a grain boundary. A simulated microstructure was used to measure how often pattern overlap occurs at any given EBSD step size, and a simple relation was found linking the probability of overlap with step size. - Highlights: • Pattern overlap occurs at grain boundaries and reduces HR-EBSD accuracy. • A test is devised to measure the accuracy of HR-EBSD in the presence of overlap. • High pass filters can sometimes, but not generally, improve HR-EBSD measurements. • Accuracy of HR-EBSD remains high until the reference pattern intensity is <72%. • 9% of points near a grain boundary will have significant error for 200nm step size in Zircaloy-4.

Opto-mechanical design and development of a 460mm diffractive transmissive telescope

Science.gov (United States)

Qi, Bo; Wang, Lihua; Cui, Zhangang; Bian, Jiang; Xiang, Sihua; Ma, Haotong; Fan, Bin

2018-01-01

Using lightweight, replicated diffractive optics, we can construct extremely large aperture telescopes in space.The transmissive primary significantly reduces the sensitivities to out of plane motion as compared to reflective systems while reducing the manufacturing time and costs. This paper focuses on the design, fabrication and ground demonstration of a 460mm diffractive transmissive telescope the primary F/# is 6, optical field of view is 0.2° imagine bandwidth is 486nm 656nm.The design method of diffractive optical system was verified, the ability to capture a high-quality image using diffractive telescope collection optics was tested.The results show that the limit resolution is 94lp/mm, the diffractive system has a good imagine performance with broad bandwidths. This technology is particularly promising as a means to achieve extremely large optical primaries from compact, lightweight packages.

Crystallization of porcine pancreatic elastase and a preliminary neutron diffraction experiment

Energy Technology Data Exchange (ETDEWEB)

Kinoshita, Takayoshi [Department of Biological Science, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8531 (Japan); Tamada, Taro [Molecular Structural Biology Group, Quantum Beam Science Directorate, Japan Atomic Energy Agency, 2-4 Shirakata-Shirane, Tokai, Ibaraki 319-1195 (Japan); Imai, Keisuke [Lead Discovery Research Laboratories, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba-shi, Ibaraki 305-8585 (Japan); Kurihara, Kazuo; Ohhara, Takashi [Molecular Structural Biology Group, Quantum Beam Science Directorate, Japan Atomic Energy Agency, 2-4 Shirakata-Shirane, Tokai, Ibaraki 319-1195 (Japan); Tada, Toshiji [Department of Biological Science, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8531 (Japan); Kuroki, Ryota, E-mail: kuroki.ryota@jaea.go.jp [Molecular Structural Biology Group, Quantum Beam Science Directorate, Japan Atomic Energy Agency, 2-4 Shirakata-Shirane, Tokai, Ibaraki 319-1195 (Japan); Department of Biological Science, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8531 (Japan)

2007-04-01

To investigate the structural characteristics of a covalent inhibitor bound to porcine pancreatic elastase (PPE), including H atoms and hydration by water, a crystal of porcine pancreatic elastase with its inhibitor was grown to a size of 1.6 mm{sup 3} for neutron diffraction study. The crystal diffracted to 2.3 Å resolution with sufficient quality for further structure determination owing to the similar atomic scattering properties of deuterium and carbon. Porcine pancreatic elastase (PPE) resembles the attractive drug target leukocyte elastase, which has been implicated in a number of inflammatory disorders. In order to investigate the structural characteristics of a covalent inhibitor bound to PPE, including H atoms and the hydration by water, a single crystal of PPE for neutron diffraction study was grown in D{sub 2}O containing 0.2 M sodium sulfate (pD 5.0) using the sitting-drop vapour-diffusion method. The crystal was grown to a size of 1.6 mm{sup 3} by repeated macroseeding. Neutron diffraction data were collected at room temperature using a BIX-3 diffractometer at the JRR-3 research reactor of the Japan Atomic Energy Agency (JAEA). The data set was integrated and scaled to 2.3 Å resolution in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 51.2, b = 57.8, c = 75.6 Å.

Micro-channel plate detector for ultra-fast relativistic electron diffraction

International Nuclear Information System (INIS)

Musumeci, P.; Moody, J.T.; Scoby, C.M.; Gutierrez, M.S.; Bender, H.A.; Hilko, B.; Kruschwitz, C.A.; Wilcox, N.S.

2011-01-01

Using relativistic ultra-short electron beams to obtain single-shot diffraction patterns holds the promise to yield real-time resolution of atomic motion in an easily accessible environment, such as a university laboratory, at a fraction of the cost of fourth-generation X-ray sources. One of the main issues in bringing this technique to full maturity is the development of efficient detector systems to record the diffraction pattern using a few MeV electron beams. Low noise, high spatial resolution, and single-electron detection capability are all characteristics of an ideal detector. In this paper, we compare the performances of a traditional fluorescent phosphor screen with a detection system based on the micro-channel plate (MCP). Since MCPs are typically used with lower energy electron beams, these tests constitute one of the few experimental data points available on the use of these devices with MeV energy beams.

Micro-channel plate detector for ultra-fast relativistic electron diffraction

Energy Technology Data Exchange (ETDEWEB)

Musumeci, P., E-mail: musumeci@physics.ucla.edu [UCLA Department of Physics and Astronomy, 475 Portola Plaza, Los Angeles, CA, 90095-1547 (United States); Moody, J.T.; Scoby, C.M.; Gutierrez, M.S. [UCLA Department of Physics and Astronomy, 475 Portola Plaza, Los Angeles, CA, 90095-1547 (United States); Bender, H.A.; Hilko, B.; Kruschwitz, C.A.; Wilcox, N.S. [National Security Technologies, LLC, Los Alamos Operations, Los Alamos, NM (United States)

2011-05-01

Using relativistic ultra-short electron beams to obtain single-shot diffraction patterns holds the promise to yield real-time resolution of atomic motion in an easily accessible environment, such as a university laboratory, at a fraction of the cost of fourth-generation X-ray sources. One of the main issues in bringing this technique to full maturity is the development of efficient detector systems to record the diffraction pattern using a few MeV electron beams. Low noise, high spatial resolution, and single-electron detection capability are all characteristics of an ideal detector. In this paper, we compare the performances of a traditional fluorescent phosphor screen with a detection system based on the micro-channel plate (MCP). Since MCPs are typically used with lower energy electron beams, these tests constitute one of the few experimental data points available on the use of these devices with MeV energy beams.

Enhancing resolution and contrast in second-harmonic generation microscopy using an advanced maximum likelihood estimation restoration method

Science.gov (United States)

Sivaguru, Mayandi; Kabir, Mohammad M.; Gartia, Manas Ranjan; Biggs, David S. C.; Sivaguru, Barghav S.; Sivaguru, Vignesh A.; Berent, Zachary T.; Wagoner Johnson, Amy J.; Fried, Glenn A.; Liu, Gang Logan; Sadayappan, Sakthivel; Toussaint, Kimani C.

2017-02-01

Second-harmonic generation (SHG) microscopy is a label-free imaging technique to study collagenous materials in extracellular matrix environment with high resolution and contrast. However, like many other microscopy techniques, the actual spatial resolution achievable by SHG microscopy is reduced by out-of-focus blur and optical aberrations that degrade particularly the amplitude of the detectable higher spatial frequencies. Being a two-photon scattering process, it is challenging to define a point spread function (PSF) for the SHG imaging modality. As a result, in comparison with other two-photon imaging systems like two-photon fluorescence, it is difficult to apply any PSF-engineering techniques to enhance the experimental spatial resolution closer to the diffraction limit. Here, we present a method to improve the spatial resolution in SHG microscopy using an advanced maximum likelihood estimation (AdvMLE) algorithm to recover the otherwise degraded higher spatial frequencies in an SHG image. Through adaptation and iteration, the AdvMLE algorithm calculates an improved PSF for an SHG image and enhances the spatial resolution by decreasing the full-width-at-halfmaximum (FWHM) by 20%. Similar results are consistently observed for biological tissues with varying SHG sources, such as gold nanoparticles and collagen in porcine feet tendons. By obtaining an experimental transverse spatial resolution of 400 nm, we show that the AdvMLE algorithm brings the practical spatial resolution closer to the theoretical diffraction limit. Our approach is suitable for adaptation in micro-nano CT and MRI imaging, which has the potential to impact diagnosis and treatment of human diseases.

Rietveld refinement with time-of-flight powder diffraction data from pulsed neutron sources

International Nuclear Information System (INIS)

David, W.I.F.; Jorgensen, J.D.

1990-10-01

The recent development of accelerator-based pulsed neutron sources has led to the widespread use of the time-of-flight technique for neutron powder diffraction. The properties of the pulsed source make possible unusually high resolution over a wide range of d spacings, high count rates, and the ability to collect complete data at fixed scattering angles. The peak shape and other instrument characteristics can be accurately modelled, which make Rietveld refinement possible for complex structures. In this paper we briefly review the development of the Rietveld method for time-of-flight diffraction data from pulsed neutron sources and discuss the latest developments in high resolution instrumentation and advanced Rietveld analysis methods. 50 refs., 12 figs., 14 tabs

High resolution orientation mapping of secondary phases in ATI 718Plus® alloy

Directory of Open Access Journals (Sweden)

Krakow Robert

2014-01-01

Full Text Available The polycrystalline superalloy ATI 718Plus ® (hereafter 718Plus has been developed to replace the established alloy Inconel 718 by offering higher temperature capability for applications in gas turbines. The alloy exhibits two secondary phases in the austenitic matrix; it is strengthened by the γ′-phase with η-phase discontinuously precipitated at the grain boundaries. It can be utilized to control grain growth during forging. Generally, hexagonal η phase has been reported to possess a defined crystallographic orientation with the matrix. However, the material studied here exhibits blocky η-phase that has been precipitated and grown during thermo-mechanical processing. Therefore a measurable change in orientation relationship is expected. The standard technique for orientation mapping is electron back-scattered diffraction with spatial resolution of 100 nm. That is insufficient for studying η-phase in 718Plus. By applying high resolution orientation mapping in the transmission electron microscope (Philips CM 300 FEGTEM equipped with a Nanomegas ASTARTM system a resolution of 3 nm was achieved. The indexed diffraction data was analysed using the Matlab Toolbox Mtex. The analysis included grain reconstruction and exclusion of low confidence measurements. The data set allows generating phase boundary maps indicating interfaces characteristics. Quantitative assessment shows that only 19% of the γ-η-interfaces fulfil the orientation relationship.

High-resolution investigations of edge effects in neutron imaging

International Nuclear Information System (INIS)

Strobl, M.; Kardjilov, N.; Hilger, A.; Kuehne, G.; Frei, G.; Manke, I.

2009-01-01

Edge enhancement is the main effect measured by the so-called inline or propagation-based neutron phase contrast imaging method. The effect has originally been explained by diffraction, and high spatial coherence has been claimed to be a necessary precondition. However, edge enhancement has also been found in conventional imaging with high resolution. In such cases the effects can produce artefacts and hinder quantification. In this letter the edge effects at cylindrical shaped samples and long straight edges have been studied in detail. The enhancement can be explained by refraction and total reflection. Using high-resolution imaging, where spatial resolutions better than 50 μm could be achieved, refraction and total reflection peaks - similar to diffraction patterns - could be separated and distinguished.

Crystallization and preliminary X-ray diffraction analysis of maize aldose reductase

Energy Technology Data Exchange (ETDEWEB)

Kiyota, Eduardo [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil); Centro de Biologia Molecular e Engenharia Genética, Universidade Estadual de Campinas, Campinas-SP (Brazil); Sousa, Sylvia Morais de [Centro de Biologia Molecular e Engenharia Genética, Universidade Estadual de Campinas, Campinas-SP (Brazil); Santos, Marcelo Leite dos; Costa Lima, Aline da [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil); Menossi, Marcelo [Departamento de Genética e Evolução, Instituto de Biologia, Universidade Estadual de Campinas, Campinas-SP (Brazil); Yunes, José Andrés [Laboratório de Biologia Molecular, Centro Infantil Boldrini, Campinas-SP (Brazil); Aparicio, Ricardo, E-mail: aparicio@iqm.unicamp.br [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil)

2007-11-01

Preliminary X-ray diffraction studies of apo maize aldose reductase at 2.0 Å resolution are reported. Maize aldose reductase (AR) is a member of the aldo-keto reductase superfamily. In contrast to human AR, maize AR seems to prefer the conversion of sorbitol into glucose. The apoenzyme was crystallized in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 47.2, b = 54.5, c = 100.6 Å and one molecule in the asymmetric unit. Synchrotron X-ray diffraction data were collected and a final resolution limit of 2.0 Å was obtained after data reduction. Phasing was carried out by an automated molecular-replacement procedure and structural refinement is currently in progress. The refined structure is expected to shed light on the functional/enzymatic mechanism and the unusual activities of maize AR.

Crystallization and preliminary X-ray diffraction analysis of maize aldose reductase

International Nuclear Information System (INIS)

Kiyota, Eduardo; Sousa, Sylvia Morais de; Santos, Marcelo Leite dos; Costa Lima, Aline da; Menossi, Marcelo; Yunes, José Andrés; Aparicio, Ricardo

2007-01-01

Preliminary X-ray diffraction studies of apo maize aldose reductase at 2.0 Å resolution are reported. Maize aldose reductase (AR) is a member of the aldo-keto reductase superfamily. In contrast to human AR, maize AR seems to prefer the conversion of sorbitol into glucose. The apoenzyme was crystallized in space group P2 1 2 1 2 1 , with unit-cell parameters a = 47.2, b = 54.5, c = 100.6 Å and one molecule in the asymmetric unit. Synchrotron X-ray diffraction data were collected and a final resolution limit of 2.0 Å was obtained after data reduction. Phasing was carried out by an automated molecular-replacement procedure and structural refinement is currently in progress. The refined structure is expected to shed light on the functional/enzymatic mechanism and the unusual activities of maize AR

Space- and time-resolved X-ray diffraction from pinned and sliding charge-density-waves in NbSe3

International Nuclear Information System (INIS)

Requardt, H.; Nad, F.Ya.; Monceau, P.; Lorenzo, J.E.; Smilgies, D.; Gruebel, G.

1999-01-01

We have determined the spatial distribution of the local charge-density-wave (CDW) strain in the sliding state of NbSe 3 . The strain is measured by monitoring the spatially-varying shift q(x) of the CDW satellite wave vector between current contacts. Experiments were carried out at T=90 K in the upper CDW state using high spatial resolution (30-50 μm) X-ray diffraction. Applying direct currents about twice the threshold value, we observe a steep exponential decrease of the shift within a few hundred microns from the contact followed by a linear variation of q in the central section of the sample. This latter regime is attributed to transverse pinning of the CDW dislocation loops (DL), while the exponential regime is controlled by the finite DL nucleation rate. Additional to these data in the stationary state of the sliding CDW, we investigated the relaxation of the CDW strain q(t) upon switching off the current (T=75 K). Using time-resolved high-spatial resolution X-ray diffraction, we observe at 800 μm from the electrode a decay law of the stretched exponential type: q(t)=q 0 exp(-(t/τ) u ), with τ=283 ms and μ=0.37. (orig.)

Identification of inversion domains in KTiOPO{sub 4}via resonant X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Fabrizi, Federica, E-mail: federica.fabrizi@diamond.ac.uk [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE (United Kingdom); Thomas, Pamela A. [Department of Physics, University of Warwick, Coventry, CV4 7AL (United Kingdom); Nisbet, Gareth; Collins, Stephen P. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE (United Kingdom)

2015-05-14

The identification and high-resolution mapping of the absolute crystallographic structure in multi-domain ferroelectric KTiOPO{sub 4} is achieved through a novel synchrotron X-ray diffraction method. On a single Bragg reflection, the intensity ratio in resonant diffraction below and above the Ti absorption K edge demonstrates a domain contrast up to a factor of ∼270, thus implementing a non-contact, non-destructive imaging technique with micrometre spatial resolution, applicable to samples of arbitrarily large dimensions. A novel method is presented for the identification of the absolute crystallographic structure in multi-domain polar materials such as ferroelectric KTiOPO{sub 4}. Resonant (or ‘anomalous’) X-ray diffraction spectra collected across the absorption K edge of Ti (4.966 keV) on a single Bragg reflection demonstrate a huge intensity ratio above and below the edge, providing a polar domain contrast of ∼270. This allows one to map the spatial domain distribution in a periodically inverted sample, with a resolution of ∼1 µm achieved with a microfocused beam. This non-contact, non-destructive technique is well suited for samples of large dimensions (in contrast with traditional resonant X-ray methods based on diffraction from Friedel pairs), and its potential is particularly relevant in the context of physical phenomena connected with an absence of inversion symmetry, which require characterization of the underlying absolute atomic structure (such as in the case of magnetoelectric coupling and multiferroics)

Fourier diffraction theorem for diffusion-based thermal tomography

International Nuclear Information System (INIS)

Baddour, Natalie

2006-01-01

There has been much recent interest in thermal imaging as a method of non-destructive testing and for non-invasive medical imaging. The basic idea of applying heat or cold to an area and observing the resulting temperature change with an infrared camera has led to the development of rapid and relatively inexpensive inspection systems. However, the main drawback to date has been that such an approach provides mainly qualitative results. In order to advance the quantitative results that are possible via thermal imaging, there is interest in applying techniques and algorithms from conventional tomography. Many tomography algorithms are based on the Fourier diffraction theorem, which is inapplicable to thermal imaging without suitable modification to account for the attenuative nature of thermal waves. In this paper, the Fourier diffraction theorem for thermal tomography is derived and discussed. The intent is for this thermal-diffusion based Fourier diffraction theorem to form the basis of tomographic reconstruction algorithms for quantitative thermal imaging

Three-dimensional ground penetrating radar imaging using multi-frequency diffraction tomography

Energy Technology Data Exchange (ETDEWEB)

Mast, J.E.; Johansson, E.M. [Lawrence Livermore National Lab., CA (United States)

1994-11-15

In this talk we present results from a three-dimensional image reconstruction algorithm for impulse radar operating in monostatic pule-echo mode. The application of interest to us is the nondestructive evaluation of civil structures such as bridge decks. We use a multi-frequency diffraction tomography imaging technique in which coherent backward propagations of the received reflected wavefield form a spatial image of the scattering interfaces within the region of interest. This imaging technique provides high-resolution range and azimuthal visualization of the subsurface region. We incorporate the ability to image in planarly layered conductive media and apply the algorithm to experimental data from an offset radar system in which the radar antenna is not directly coupled to the surface of the region. We present a rendering in three-dimensions of the resulting image data which provides high-detail visualization.

Diffractive interference optical analyzer (DiOPTER)

Science.gov (United States)

Sasikumar, Harish; Prasad, Vishnu; Pal, Parama; Varma, Manoj M.

2016-03-01

This report demonstrates a method for high-resolution refractometric measurements using, what we have termed as, a Diffractive Interference Optical Analyzer (DiOpter). The setup consists of a laser, polarizer, a transparent diffraction grating and Si-photodetectors. The sensor is based on the differential response of diffracted orders to bulk refractive index changes. In these setups, the differential read-out of the diffracted orders suppresses signal drifts and enables time-resolved determination of refractive index changes in the sample cell. A remarkable feature of this device is that under appropriate conditions, the measurement sensitivity of the sensor can be enhanced by more than two orders of magnitude due to interference between multiply reflected diffracted orders. A noise-equivalent limit of detection (LoD) of 6x10-7 RIU was achieved in glass. This work focuses on devices with integrated sample well, made on low-cost PDMS. As the detection methodology is experimentally straightforward, it can be used across a wide array of applications, ranging from detecting changes in surface adsorbates via binding reactions to estimating refractive index (and hence concentration) variations in bulk samples. An exciting prospect of this technique is the potential integration of this device to smartphones using a simple interface based on transmission mode configuration. In a transmission configuration, we were able to achieve an LoD of 4x10-4 RIU which is sufficient to explore several applications in food quality testing and related fields. We are envisioning the future of this platform as a personal handheld optical analyzer for applications ranging from environmental sensing to healthcare and quality testing of food products.

X-ray diffraction from ideal mosaic crystals in external fields of certain types. I. Atomic displacements and the corresponding diffraction patterns

International Nuclear Information System (INIS)

Treushnikov, E.N.

2000-01-01

The problem of the theoretical description of X-ray diffraction from ideal mosaic crystals under the effect of various external fields has been formulated. Electric, magnetic, electromagnetic, and acoustic perturbations are considered. The atomic displacements in crystals under the effect of external fields and the types of the corresponding diffraction patterns are analyzed for various types of perturbations. The crystal classes are determined in which atomic displacements can be recorded experimentally. Diffraction patterns formed under the effect of various external factors are considered on the basis of the derived dependence of the structure factor on the characteristics of an applied force field

Coherent optical adaptive technique improves the spatial resolution of STED microscopy in thick samples

Science.gov (United States)

Yan, Wei; Yang, Yanlong; Tan, Yu; Chen, Xun; Li, Yang; Qu, Junle; Ye, Tong

2018-01-01

Stimulated emission depletion microscopy (STED) is one of far-field optical microscopy techniques that can provide sub-diffraction spatial resolution. The spatial resolution of the STED microscopy is determined by the specially engineered beam profile of the depletion beam and its power. However, the beam profile of the depletion beam may be distorted due to aberrations of optical systems and inhomogeneity of specimens’ optical properties, resulting in a compromised spatial resolution. The situation gets deteriorated when thick samples are imaged. In the worst case, the sever distortion of the depletion beam profile may cause complete loss of the super resolution effect no matter how much depletion power is applied to specimens. Previously several adaptive optics approaches have been explored to compensate aberrations of systems and specimens. However, it is hard to correct the complicated high-order optical aberrations of specimens. In this report, we demonstrate that the complicated distorted wavefront from a thick phantom sample can be measured by using the coherent optical adaptive technique (COAT). The full correction can effectively maintain and improve the spatial resolution in imaging thick samples. PMID:29400356

Coherent diffraction microscopy at SPring-8: instrumentation, data acquisition and data analysis

International Nuclear Information System (INIS)

Xu, Rui; Salha, Sara; Raines, Kevin S.; Jiang, Huaidong; Chen, Chien-Chun; Takahashi, Yukio; Kohmura, Yoshiki; Nishino, Yoshinori; Song, Changyong; Ishikawa, Tetsuya; Miao, Jianwei

2011-01-01

An instrumentation and data analysis review of coherent diffraction microscopy at SPring-8 is given. This work will be of interest to those who want to apply coherent diffraction imaging to studies of materials science and biological samples. Since the first demonstration of coherent diffraction microscopy in 1999, this lensless imaging technique has been experimentally refined by continued developments. Here, instrumentation and experimental procedures for measuring oversampled diffraction patterns from non-crystalline specimens using an undulator beamline (BL29XUL) at SPring-8 are presented. In addition, detailed post-experimental data analysis is provided that yields high-quality image reconstructions. As the acquisition of high-quality diffraction patterns is at least as important as the phase-retrieval procedure to guarantee successful image reconstructions, this work will be of interest for those who want to apply this imaging technique to materials science and biological samples

Crystallization and preliminary X-ray diffraction analysis of rat autotaxin

International Nuclear Information System (INIS)

Day, Jacqueline E.; Hall, Troii; Pegg, Lyle E.; Benson, Timothy E.; Hausmann, Jens; Kamtekar, Satwik

2010-01-01

Autotaxin (ATX), a pyrophosphatase/phosphodiesterase enzyme, is a promising drug target for many indications and is only distantly related to enzymes of previously determined structure. Here, the cloning, expression, purification, crystallization and preliminary diffraction analysis of ATX are reported. Rat autotaxin has been cloned, expressed, purified to homogeneity and crystallized via hanging-drop vapour diffusion using PEG 3350 as precipitant and ammonium iodide and sodium thiocyanate as salts. The crystals diffracted to a maximum resolution of 2.05 Å and belonged to space group P1, with unit-cell parameters a = 53.8, b = 63.3, c = 70.5 Å, α = 98.8, β = 106.2, γ = 99.8°. Preliminary X-ray diffraction analysis indicated the presence of one molecule per asymmetric unit, with a solvent content of 47%

Coherent x-ray diffraction imaging of paint pigment particles by scanning a phase plate modulator

International Nuclear Information System (INIS)

Chu, Y.S.; Chen, B.; Zhang, F.; Berenguer, F.; Bean, R.; Kewish, C.; Vila-Comamala, J.; Rodenburg, J.; Robinson, I.

2011-01-01

We have implemented a coherent x-ray diffraction imaging technique that scans a phase plate to modulate wave-fronts of the x-ray beam transmitted by samples. The method was applied to measure a decorative alkyd paint containing iron oxide red pigment particles. By employing an iterative algorithm for wave-front modulation phase retrieval, we obtained an image of the paint sample that shows the distribution of the pigment particles and is consistent with the result obtained from a transmission x-ray microscope. The technique has been experimentally proven to be a feasible coherent x-ray imaging method with about 120 nm spatial resolution and was shown to work well with industrially relevant specimens.

Structure solution from powder neutron and x-ray diffraction data: getting the best of both worlds

International Nuclear Information System (INIS)

Hunter, B.A.

2000-01-01

Full text: Powder diffraction methods have traditionally been used in three main areas: phase identification and quantification, lattice parameter determination and structure refinement. Until recently structure solution has been the almost exclusive domain of single crystal diffraction methods, predominantly using x-rays. The increasing use of synchrotron and neutron sources, and the unrelenting advances in computing hardware and software means that powder methods are challenging single crystal methods as a practical method for structure solution, especially when single crystal method can not be applied. It is known that structural refinements from a known starting structure using combined X-ray and neutron data sets are capable of providing highly accurate structures. Likewise, using combined x-ray and neutron powder diffraction data in the structure solution process should also be a powerful technique, although to date no one is pursuing this methodology. This paper present examples of solutions to the problem. Namely we are using high resolution powder X-ray and neutron methods to solve the structures of molecular materials and minerals, then refining the structures using both sets of data. In this way we exploit the advantages of both methods while minimising the disadvantages. We present our solution for a small amino acid structure, a metalorganic and a mineral structure

Indexing amyloid peptide diffraction from serial femtosecond crystallography: new algorithms for sparse patterns

Energy Technology Data Exchange (ETDEWEB)

Brewster, Aaron S. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Sawaya, Michael R. [University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); Rodriguez, Jose [University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); Hattne, Johan; Echols, Nathaniel [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); McFarlane, Heather T. [University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); Cascio, Duilio [University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); University of California, Berkeley, CA 94720 (United States); Eisenberg, David S. [University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); University of California, Los Angeles, CA 90095-1570 (United States); Sauter, Nicholas K., E-mail: nksauter@lbl.gov [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

2015-02-01

Special methods are required to interpret sparse diffraction patterns collected from peptide crystals at X-ray free-electron lasers. Bragg spots can be indexed from composite-image powder rings, with crystal orientations then deduced from a very limited number of spot positions. Still diffraction patterns from peptide nanocrystals with small unit cells are challenging to index using conventional methods owing to the limited number of spots and the lack of crystal orientation information for individual images. New indexing algorithms have been developed as part of the Computational Crystallography Toolbox (cctbx) to overcome these challenges. Accurate unit-cell information derived from an aggregate data set from thousands of diffraction patterns can be used to determine a crystal orientation matrix for individual images with as few as five reflections. These algorithms are potentially applicable not only to amyloid peptides but also to any set of diffraction patterns with sparse properties, such as low-resolution virus structures or high-throughput screening of still images captured by raster-scanning at synchrotron sources. As a proof of concept for this technique, successful integration of X-ray free-electron laser (XFEL) data to 2.5 Å resolution for the amyloid segment GNNQQNY from the Sup35 yeast prion is presented.

Dynamical neutron diffraction by curved crystals in the Laue geometry

International Nuclear Information System (INIS)

Albertini, G.; Melone, S.; Lagomarsino, S.; Mazkedian, S.; Puliti, P.; Rustichelli, F.

1977-01-01

The Taupin dynamical theory of X-ray diffraction by deformed crystals which was previously extended to the neutron diffraction by curved crystals in the Bragg geometry, is applied to calculate neutron diffraction patterns in the Laue geometry. The theoretical results are compared with experimental data on curved silicon crystals. The agreement is quite satisfactory. In the second part a simple model recently presented to describe neutron diffraction properties in the Bragg case is extended to the Laue case. The predictions of such a model are in satisfactory agreement with the rigorous theory and the experimental results. (author)

Robust microbubble tracking for super resolution imaging in ultrasound

DEFF Research Database (Denmark)

Hansen, Kristoffer B.; Villagómez Hoyos, Carlos Armando; Brasen, Jens Christian

2016-01-01

Currently ultrasound resolution is limited by diffraction to approximately half the wavelength of the sound wave employed. In recent years, super resolution imaging techniques have overcome the diffraction limit through the localization and tracking of a sparse set of microbubbles through...... the vasculature. However, this has only been performed on fixated tissue, limiting its clinical application. This paper proposes a technique for making super resolution images on non-fixated tissue by first compensating for tissue movement and then tracking the individual microbubbles. The experiment is performed...... on the kidney of a anesthetized Sprage-Dawley rat by infusing SonoVue at 0.1× original concentration. The algorithm demonstrated in vivo that the motion compensation was capable of removing the movement caused by the mechanical ventilator. The results shows that microbubbles were localized with a higher...

Atomic structure of large angle grain boundaries determined by quantitative X-ray diffraction techniques

International Nuclear Information System (INIS)

Fitzsimmons, M.R.; Sass, S.L.

1988-01-01

Quantitative X-ray diffraction techniques have been used to determine the atomic structure of the Σ = 5 and 13 [001] twist boundaries in Au with a resolution of 0.09 Angstrom or better. The reciprocal lattices of these boundaries were mapped out using synchrotron radiation. The atomic structures were obtained by testing model structures against the intensity observations with a chi square analysis. The boundary structure were modeled using polyhedra, including octahedra, special configurations of tetrahedra and Archimedian anti-prisms, interwoven together by the boundary symmetry. The results of this work point to the possibility of obtaining general rules for grain boundary structure based on X-ray diffraction observations that give the atomic positions with high resolution

Production, crystallization and preliminary X-ray diffraction analysis of the allergen Can f 2 from Canis familiaris

International Nuclear Information System (INIS)

Madhurantakam, Chaithanya; Nilsson, Ola B.; Jönsson, Klas; Grönlund, Hans; Achour, Adnane

2009-01-01

The recombinant form of the allergen Can f 2 from C. familiaris was produced, isolated and crystallized in two different forms. Preliminary X-ray diffraction analyses are reported for the two crystal forms of Can f 2. The allergen Can f 2 from dog (Canis familiaris) present in saliva, dander and fur is an important cause of allergic sensitization worldwide. Here, the production, isolation, crystallization and preliminary X-ray diffraction analysis of two crystal forms of recombinant Can f 2 are reported. The first crystal form belonged to space group C222, with unit-cell parameters a = 68.7, b = 77.3, c = 65.1 Å, and diffracted to 1.55 Å resolution, while the second crystal form belonged to space group C2, with unit-cell parameters a = 75.7, b = 48.3, c = 68.7 Å, β = 126.5°, and diffracted to 2.1 Å resolution. Preliminary data analysis indicated the presence of a single molecule in the asymmetric unit for both crystal forms

Accessing High Spatial Resolution in Astronomy Using Interference Methods

Science.gov (United States)

Carbonel, Cyril; Grasset, Sébastien; Maysonnave, Jean

2018-04-01

In astronomy, methods such as direct imaging or interferometry-based techniques (Michelson stellar interferometry for example) are used for observations. A particular advantage of interferometry is that it permits greater spatial resolution compared to direct imaging with a single telescope, which is limited by diffraction owing to the aperture of the instrument as shown by Rueckner et al. in a lecture demonstration. The focus of this paper, addressed to teachers and/or students in high schools and universities, is to easily underline both an application of interferometry in astronomy and stress its interest for resolution. To this end very simple optical experiments are presented to explain all the concepts. We show how an interference pattern resulting from the combined signals of two telescopes allows us to measure the distance between two stars with a resolution beyond the diffraction limit. Finally this work emphasizes the breathtaking resolution obtained in state-of-the-art instruments such as the VLTi (Very Large Telescope interferometer).

High Pressure X-Ray Diffraction Studies on Nanocrystalline Materials

Science.gov (United States)

Palosz, B.; Stelmakh, S.; Grzanka, E.; Gierlotka, S.; Pielaszek, R.; Bismayer, U.; Werner, S.; Palosz, W.

2003-01-01

Application of in situ high pressure powder diffraction technique for examination of specific structural properties of nanocrystals based on the experimental data of SiC nanocrystalline powders of 2 to 30 nrn diameter in diameter is presented. Limitations and capabilities of the experimental techniques themselves and methods of diffraction data elaboration applied to nanocrystals with very small dimensions (nanoparticles of different grain size.

Cloning, recombinant production, crystallization and preliminary X-ray diffraction analysis of SDF2-like protein from Arabidopsis thaliana

International Nuclear Information System (INIS)

Radzimanowski, Jens; Ravaud, Stephanie; Schott, Andrea; Strahl, Sabine; Sinning, Irmgard

2009-01-01

Overexpression, purification, crystallization and preliminary X-ray diffraction of the stromal-cell-derived factor 2-like protein of Arabidopsis thaliana are reported. The crystals belonged to the space group P6 1 and diffracted to 1.95 Å resolution. The stromal-cell-derived factor 2-like protein of Arabidopsis thaliana (AtSDL) has been shown to be highly up-regulated in response to unfolded protein response (UPR) inducing reagents, suggesting that it plays a crucial role in the plant UPR pathway. AtSDL has been cloned, overexpressed, purified and crystallized using the vapour-diffusion method. Two crystal forms have been obtained under very similar conditions. The needle-shaped crystals did not diffract X-rays, while the other form diffracted to 1.95 Å resolution using a synchrotron-radiation source and belonged to the hexagonal space group P6 1 , with unit-cell parameters a = b = 96.1, c = 69.3 Å

Multiorder nonlinear diffraction in frequency doubling processes

DEFF Research Database (Denmark)

Saltiel, Solomon M.; Neshev, Dragomir N.; Krolikowski, Wieslaw

2009-01-01

We analyze experimentally light scattering from 2 nonlinear gratings and observe two types of second-harmonic frequency-scattering processes. The first process is identified as Raman–Nath type nonlinear diffraction that is explained by applying only transverse phase-matching conditions. The angular...... position of this type of diffraction is defined by the ratio of the second-harmonic wavelength and the grating period. In contrast, the second type of nonlinear scattering process is explained by the longitudinal phase matching only, being insensitive to the nonlinear grating...

Spatiotemporal optical pulse transformation by a resonant diffraction grating

Energy Technology Data Exchange (ETDEWEB)

Golovastikov, N. V.; Bykov, D. A., E-mail: bykovd@gmail.com; Doskolovich, L. L., E-mail: leonid@smr.ru; Soifer, V. A. [Russian Academy of Sciences, Image Processing Systems Institute (Russian Federation)

2015-11-15

The diffraction of a spatiotemporal optical pulse by a resonant diffraction grating is considered. The pulse diffraction is described in terms of the signal (the spatiotemporal incident pulse envelope) passage through a linear system. An analytic approximation in the form of a rational function of two variables corresponding to the angular and spatial frequencies has been obtained for the transfer function of the system. A hyperbolic partial differential equation describing the general form of the incident pulse envelope transformation upon diffraction by a resonant diffraction grating has been derived from the transfer function. A solution of this equation has been obtained for the case of normal incidence of a pulse with a central frequency lying near the guided-mode resonance of a diffraction structure. The presented results of numerical simulations of pulse diffraction by a resonant grating show profound changes in the pulse envelope shape that closely correspond to the proposed theoretical description. The results of the paper can be applied in creating new devices for optical pulse shape transformation, in optical information processing problems, and analog optical computations.

Immersion Gratings for Infrared High-resolution Spectroscopy

Science.gov (United States)

Sarugaku, Yuki; Ikeda, Yuji; Kobayashi, Naoto; Kaji, Sayumi; Sukegawa, Takashi; Sugiyama, Shigeru; Nakagawa, Takao; Arasaki, Takayuki; Kondo, Sohei; Nakanishi, Kenshi; Yasui, Chikako; Kawakita, Hideyo

2016-10-01

High-resolution spectroscopy in the infrared wavelength range is essential for observations of minor isotopologues, such as HDO for water, and prebiotic organic molecules like hydrocarbons/P-bearing molecules because numerous vibrational molecular bands (including non-polar molecules) are located in this wavelength range. High spectral resolution enables us to detect weak lines without spectral line confusion. This technique has been widely used in planetary sciences, e.g., cometary coma (H2O, CO, and organic molecules), the martian atmosphere (CH4, CO2, H2O and HDO), and the upper atmosphere of gas giants (H3+ and organic molecules such as C2H6). Spectrographs with higher resolution (and higher sensitivity) still have a potential to provide a plenty of findings. However, because the size of spectrographs scales with the spectral resolution, it is difficult to realize it.Immersion grating (IG), which is a diffraction grating wherein the diffraction surface is immersed in a material with a high refractive index (n > 2), provides n times higher spectral resolution compared to a reflective grating of the same size. Because IG reduces the size of spectrograph to 1/n compared to the spectrograph with the same spectral resolution using a conventional reflective grating, it is widely acknowledged as a key optical device to realize compact spectrographs with high spectral resolution.Recently, we succeeded in fabricating a CdZnTe immersion grating with the theoretically predicted diffraction efficiency by machining process using an ultrahigh-precision five-axis processing machine developed by Canon Inc. Using the same technique, we completed a practical germanium (Ge) immersion grating with both a reflection coating on the grating surface and the an AR coating on the entrance surface. It is noteworthy that the wide wavelength range from 2 to 20 um can be covered by the two immersion gratings.In this paper, we present the performances and the applications of the immersion

Proton diffraction

International Nuclear Information System (INIS)

Den Besten, J.L.; Jamieson, D.N.; Allen, L.J.

1998-01-01

The Lindhard theory on ion channeling in crystals has been widely accepted throughout ion beam analysis for use in simulating such experiments. The simulations use a Monte Carlo method developed by Barret, which utilises the classical 'billiard ball' theory of ions 'bouncing' between planes or tubes of atoms in the crystal. This theory is not valid for 'thin' crystals where the planes or strings of atoms can no longer be assumed to be of infinite proportions. We propose that a theory similar to that used for high energy electron diffraction can be applied to MeV ions, especially protons, in thin crystals to simulate the intensities of transmission channeling and of RBS spectra. The diffraction theory is based on a Bloch wave solution of the Schroedinger equation for an ion passing through the periodic crystal potential. The widely used universal potential for proton-nucleus scattering is used to construct the crystal potential. Absorption due to thermal diffuse scattering is included. Experimental parameters such as convergence angle, beam tilt and scanning directions are considered in our calculations. Comparison between theory and experiment is encouraging and suggests that further work is justified. (authors)

Oversampling smoothness: an effective algorithm for phase retrieval of noisy diffraction intensities.

Science.gov (United States)

Rodriguez, Jose A; Xu, Rui; Chen, Chien-Chun; Zou, Yunfei; Miao, Jianwei

2013-04-01

Coherent diffraction imaging (CDI) is high-resolution lensless microscopy that has been applied to image a wide range of specimens using synchrotron radiation, X-ray free-electron lasers, high harmonic generation, soft X-ray lasers and electrons. Despite recent rapid advances, it remains a challenge to reconstruct fine features in weakly scattering objects such as biological specimens from noisy data. Here an effective iterative algorithm, termed oversampling smoothness (OSS), for phase retrieval of noisy diffraction intensities is presented. OSS exploits the correlation information among the pixels or voxels in the region outside of a support in real space. By properly applying spatial frequency filters to the pixels or voxels outside the support at different stages of the iterative process ( i.e. a smoothness constraint), OSS finds a balance between the hybrid input-output (HIO) and error reduction (ER) algorithms to search for a global minimum in solution space, while reducing the oscillations in the reconstruction. Both numerical simulations with Poisson noise and experimental data from a biological cell indicate that OSS consistently outperforms the HIO, ER-HIO and noise robust (NR)-HIO algorithms at all noise levels in terms of accuracy and consistency of the reconstructions. It is expected that OSS will find application in the rapidly growing CDI field, as well as other disciplines where phase retrieval from noisy Fourier magnitudes is needed. The MATLAB (The MathWorks Inc., Natick, MA, USA) source code of the OSS algorithm is freely available from http://www.physics.ucla.edu/research/imaging.

Evaluation of In-Vacuum Imaging Plate Detector for X-Ray Diffraction Microscopy

International Nuclear Information System (INIS)

Nishino, Yoshinori; Takahashi, Yukio; Yamamoto, Masaki; Ishikawa, Tetsuya

2007-01-01

We performed evaluation tests of a newly developed in-vacuum imaging plate (IP) detector for x-ray diffraction microscopy. IP detectors have advantages over direct x-ray detection charge-coupled device (CCD) detectors, which have been commonly used in x-ray diffraction microscopy experiments, in the capabilities for a high photon count and for a wide area. The detector system contains two IPs to make measurement efficient by recording data with the one while reading or erasing the other. We compared speckled diffraction patterns of single particles taken with the IP and a direct x-ray detection CCD. The IP was inferior to the CCD in spatial resolution and in signal-to-noise ratio at a low photon count

Phasor analysis of binary diffraction gratings with different fill factors

International Nuclear Information System (INIS)

MartInez, Antonio; Sanchez-Lopez, Ma del Mar; Moreno, Ignacio

2007-01-01

In this work, we present a simple analysis of binary diffraction gratings with different slit widths relative to the grating period. The analysis is based on a simple phasor technique directly derived from the Huygens principle. By introducing a slit phasor and a grating phasor, the intensity of the diffracted orders and the grating's resolving power can be easily obtained without applying the usual Fourier transform operations required for these calculations. The proposed phasor technique is mathematically equivalent to the Fourier transform calculation of the diffraction order amplitude, and it can be useful to explain binary diffraction gratings in a simple manner in introductory physics courses. This theoretical analysis is illustrated with experimental results using a liquid crystal device to display diffraction gratings with different fill factors

Holography and coherent diffraction with low-energy electrons: A route towards structural biology at the single molecule level.

Science.gov (United States)

Latychevskaia, Tatiana; Longchamp, Jean-Nicolas; Escher, Conrad; Fink, Hans-Werner

2015-12-01

The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept aiming at structural analysis at the single molecule level. We show that by combining electron holography and coherent diffraction imaging estimations concerning the phase of the scattered wave become needless as the phase information is extracted from the data directly and unambiguously. Performed with low-energy electrons the resolution of this lens-less microscope is just limited by the De Broglie wavelength of the electron wave and the numerical aperture, given by detector geometry. In imaging freestanding graphene, a resolution of 2Å has been achieved revealing the 660.000 unit cells of the graphene sheet from a single data set. Once applied to individual biomolecules the method shall ultimately allow for non-destructive imaging and imports the potential to distinguish between different conformations of proteins with atomic resolution. Copyright © 2015. Published by Elsevier B.V.

Example-Based Super-Resolution Fluorescence Microscopy.

Science.gov (United States)

Jia, Shu; Han, Boran; Kutz, J Nathan

2018-04-23

Capturing biological dynamics with high spatiotemporal resolution demands the advancement in imaging technologies. Super-resolution fluorescence microscopy offers spatial resolution surpassing the diffraction limit to resolve near-molecular-level details. While various strategies have been reported to improve the temporal resolution of super-resolution imaging, all super-resolution techniques are still fundamentally limited by the trade-off associated with the longer image acquisition time that is needed to achieve higher spatial information. Here, we demonstrated an example-based, computational method that aims to obtain super-resolution images using conventional imaging without increasing the imaging time. With a low-resolution image input, the method provides an estimate of its super-resolution image based on an example database that contains super- and low-resolution image pairs of biological structures of interest. The computational imaging of cellular microtubules agrees approximately with the experimental super-resolution STORM results. This new approach may offer potential improvements in temporal resolution for experimental super-resolution fluorescence microscopy and provide a new path for large-data aided biomedical imaging.

Transforming Conflict Resolution Education: Applying Anthropology alongside Your Students

Science.gov (United States)

Avruch, Kevin

2009-01-01

This article describes the role graduate students can play in transforming their education in the emergent field of Conflict Analysis and Resolution, as occurs at the Institute for Conflict Analysis and Resolution (ICAR), at George Mason University, Washington, DC. It also unpacks how anthropology plays a role in the education of these students at…

The 2015 super-resolution microscopy roadmap

International Nuclear Information System (INIS)

Hell, Stefan W; Sahl, Steffen J; Bates, Mark; Jakobs, Stefan; Zhuang, Xiaowei; Heintzmann, Rainer; Booth, Martin J; Bewersdorf, Joerg; Shtengel, Gleb; Hess, Harald; Tinnefeld, Philip; Honigmann, Alf; Testa, Ilaria; Cognet, Laurent; Lounis, Brahim; Ewers, Helge; Davis, Simon J; Eggeling, Christian; Klenerman, David; Willig, Katrin I

2015-01-01

Far-field optical microscopy using focused light is an important tool in a number of scientific disciplines including chemical, (bio)physical and biomedical research, particularly with respect to the study of living cells and organisms. Unfortunately, the applicability of the optical microscope is limited, since the diffraction of light imposes limitations on the spatial resolution of the image. Consequently the details of, for example, cellular protein distributions, can be visualized only to a certain extent. Fortunately, recent years have witnessed the development of ‘super-resolution’ far-field optical microscopy (nanoscopy) techniques such as stimulated emission depletion (STED), ground state depletion (GSD), reversible saturated optical (fluorescence) transitions (RESOLFT), photoactivation localization microscopy (PALM), stochastic optical reconstruction microscopy (STORM), structured illumination microscopy (SIM) or saturated structured illumination microscopy (SSIM), all in one way or another addressing the problem of the limited spatial resolution of far-field optical microscopy. While SIM achieves a two-fold improvement in spatial resolution compared to conventional optical microscopy, STED, RESOLFT, PALM/STORM, or SSIM have all gone beyond, pushing the limits of optical image resolution to the nanometer scale. Consequently, all super-resolution techniques open new avenues of biomedical research. Because the field is so young, the potential capabilities of different super-resolution microscopy approaches have yet to be fully explored, and uncertainties remain when considering the best choice of methodology. Thus, even for experts, the road to the future is sometimes shrouded in mist. The super-resolution optical microscopy roadmap of Journal of Physics D: Applied Physics addresses this need for clarity. It provides guidance to the outstanding questions through a collection of short review articles from experts in the field, giving a thorough

Characterization of diffraction gratings scattering in uv and ir for space applications

Science.gov (United States)

Achour, Sakina; Kuperman-Le Bihan, Quentin; Etcheto, Pierre

2017-09-01

The use of Bidirectional Scatter Distribution Function (BSDF) in space industry and especially when designing telescopes is a key feature. Indeed when speaking about space industry, one can immediately think about stray light issues. Those important phenomena are directly linked to light scattering. Standard BSDF measurement goniophotometers often have a resolution of about 0.1° and are mainly working in or close to the visible spectrum. This resolution is far too loose to characterize ultra-polished surfaces. Besides, wavelength range of BSDF measurements for space projects needs to be done far from visible range. How can we measure BSDF of ultra-polished surfaces and diffraction gratings in the UV and IR range with high resolution? We worked on developing a new goniophometer bench in order to be able to characterize scattering of ultra-polished surfaces and diffraction gratings used in everyday space applications. This ten meters long bench was developed using a collimated beam approach as opposed to goniophotometer using focused beam. Sources used for IR characterization were CO2 (10.6?m) and Helium Neon (3.39?m) lasers. Regarding UV sources, a collimated and spatially filtered UV LED was used. The detection was ensure by a photomultiplier coupled with synchronous detection as well as a MCT InSb detector. The so-built BSDF measurement instrument allowed us to measure BSDF of ultra-polished surfaces as well as diffraction gratings with an angular resolution of 0.02° and a dynamic of 1013 in the visible range. In IR as well as in UV we manage to get 109 with same angular resolution of 0.02°. The 1m arm and translation stages allows us to measure samples up to 200mm. Thanks to such a device allowing ultra-polished materials as well as diffraction gratings scattering characterization, it is possible to implement those BSDF measurements into simulation software and predict stray light issues. This is a big help for space industry engineers to apprehend stray light

Diffractive flat panel solar concentrators of a novel design.

Science.gov (United States)

de Jong, Ties M; de Boer, Dick K G; Bastiaansen, Cees W M

2016-07-11

A novel design for a flat panel solar concentrator is presented which is based on a light guide with a grating applied on top that diffracts light into total internal reflection. By combining geometrical and diffractive optics the geometrical concentration ratio is optimized according to the principles of nonimaging optics, while the thickness of the device is minimized due to the use of total internal reflection.

A possibility of parallel and anti-parallel diffraction measurements on ...

Indian Academy of Sciences (India)

However, a bent perfect crystal (BPC) monochromator at monochromatic focusing condition can provide a quite flat and equal resolution property at both parallel and anti-parallel positions and thus one can have a chance to use both sides for the diffraction experiment. From the data of the FWHM and the / measured ...

Powder diffraction from a continuous microjet of submicrometer protein crystals.

Science.gov (United States)

Shapiro, D A; Chapman, H N; Deponte, D; Doak, R B; Fromme, P; Hembree, G; Hunter, M; Marchesini, S; Schmidt, K; Spence, J; Starodub, D; Weierstall, U

2008-11-01

Atomic-resolution structures from small proteins have recently been determined from high-quality powder diffraction patterns using a combination of stereochemical restraints and Rietveld refinement [Von Dreele (2007), J. Appl. Cryst. 40, 133-143; Margiolaki et al. (2007), J. Am. Chem. Soc. 129, 11865-11871]. While powder diffraction data have been obtained from batch samples of small crystal-suspensions, which are exposed to X-rays for long periods of time and undergo significant radiation damage, the proof-of-concept that protein powder diffraction data from nanocrystals of a membrane protein can be obtained using a continuous microjet is shown. This flow-focusing aerojet has been developed to deliver a solution of hydrated protein nanocrystals to an X-ray beam for diffraction analysis. This method requires neither the crushing of larger polycrystalline samples nor any techniques to avoid radiation damage such as cryocooling. Apparatus to record protein powder diffraction in this manner has been commissioned, and in this paper the first powder diffraction patterns from a membrane protein, photosystem I, with crystallite sizes of less than 500 nm are presented. These preliminary patterns show the lowest-order reflections, which agree quantitatively with theoretical calculations of the powder profile. The results also serve to test our aerojet injector system, with future application to femtosecond diffraction in free-electron X-ray laser schemes, and for serial crystallography using a single-file beam of aligned hydrated molecules.

Simple method for sub-diffraction resolution imaging of cellular structures on standard confocal microscopes by three-photon absorption of quantum dots.

Directory of Open Access Journals (Sweden)

Anje Sporbert

Full Text Available This study describes a simple technique that improves a recently developed 3D sub-diffraction imaging method based on three-photon absorption of commercially available quantum dots. The method combines imaging of biological samples via tri-exciton generation in quantum dots with deconvolution and spectral multiplexing, resulting in a novel approach for multi-color imaging of even thick biological samples at a 1.4 to 1.9-fold better spatial resolution. This approach is realized on a conventional confocal microscope equipped with standard continuous-wave lasers. We demonstrate the potential of multi-color tri-exciton imaging of quantum dots combined with deconvolution on viral vesicles in lentivirally transduced cells as well as intermediate filaments in three-dimensional clusters of mouse-derived neural stem cells (neurospheres and dense microtubuli arrays in myotubes formed by stacks of differentiated C2C12 myoblasts.

Developments in diffraction databases

International Nuclear Information System (INIS)

Jenkins, R.

1999-01-01

Full text: There are a number of databases available to the diffraction community. Two of the more important of these are the Powder Diffraction File (PDF) maintained by the International Centre for Diffraction Data (ICDD), and the Inorganic Crystal Structure Database (ICSD) maintained by Fachsinformationzentrum (FIZ, Karlsruhe). In application, the PDF has been used as an indispensable tool in phase identification and identification of unknowns. The ICSD database has extensive and explicit reference to the structures of compounds: atomic coordinates, space group and even thermal vibration parameters. A similar database, but for organic compounds, is maintained by the Cambridge Crystallographic Data Centre. These databases are often used as independent sources of information. However, little thought has been given on how to exploit the combined properties of structural database tools. A recently completed agreement between ICDD and FIZ, plus ICDD and Cambridge, provides a first step in complementary use of the PDF and the ICSD databases. The focus of this paper (as indicated below) is to examine ways of exploiting the combined properties of both databases. In 1996, there were approximately 76,000 entries in the PDF and approximately 43,000 entries in the ICSD database. The ICSD database has now been used to calculate entries in the PDF. Thus, to derive d-spacing and peak intensity data requires the synthesis of full diffraction patterns, i.e., we use the structural data in the ICSD database and then add instrumental resolution information. The combined data from PDF and ICSD can be effectively used in many ways. For example, we can calculate PDF data for an ideally random crystal distribution and also in the absence of preferred orientation. Again, we can use systematic studies of intermediate members in solid solutions series to help produce reliable quantitative phase analyses. In some cases, we can study how solid solution properties vary with composition and

Development of a high repetition rate laser-plasma accelerator for ultra-fast electron diffraction experiments

International Nuclear Information System (INIS)

Beaurepaire, B.

2009-01-01

Electronic microscopy and electron diffraction allowed the understanding of the organization of atoms in matter. Using a temporally short source, one can measure atomic displacements or modifications of the electronic distribution in matter. To date, the best temporal resolution for time resolved diffraction experiments is of the order of a hundred femto-seconds (fs). Laser accelerators are good candidates to reach the femtosecond temporal resolution in electron diffraction experiments. Such accelerators used to work at a low repetition rate, so that it was necessary to develop a new one operating at a high repetition rate in order to accumulate a large amount of data. In this thesis, a laser-plasma accelerator operating at the kHz repetition rate was developed and built. This source generates electron bunches at 100 keV from 3 mJ and 25 fs laser pulses. The physics of the acceleration has been studied, and the effect of the laser wavefront on the electron transverse distribution has been demonstrated. (author)

Neutron diffraction from lead germanate glasses

International Nuclear Information System (INIS)

Umesaki, Norimasa; Brunier, T.M.; Wright, A.C.; Hannon, A.C.; Scinclair, R.N.

1993-01-01

High resolution neutron diffraction data have been collected on the PbO-GeO 2 glasses and on GeO 2 for comparison. These neutron data have revealed the existence of 6-fold coordinated germanium (GeO 6 octahedra) by virtue of the shift in the first peak in the obtained total correlation function T(r) and increase in the coordination. The neutron results also indicate that PbO exits as PbO 4 pyramids, as found in the orthorhombic form of PbO crystal, in the studied PbO-GeO 2 glasses. (author)

Crystallization and preliminary X-ray diffraction studies of polyketide synthase-1 (PKS-1) from Cannabis sativa

International Nuclear Information System (INIS)

Taguchi, Chiho; Taura, Futoshi; Tamada, Taro; Shoyama, Yoshinari; Shoyama, Yukihiro; Tanaka, Hiroyuki; Kuroki, Ryota; Morimoto, Satoshi

2008-01-01

Polyketide synthase-1 from C. sativa has been crystallized. The crystal diffracted to 1.55 Å resolution with sufficient quality for further structure determination. Polyketide synthase-1 (PKS-1) is a novel type III polyketide synthase that catalyzes the biosynthesis of hexanoyl triacetic acid lactone in Cannabis sativa (Mexican strain). PKS-1 was overproduced in Escherichia coli, purified and finally crystallized in two different space groups. The crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M calcium acetate and 20%(w/v) polyethylene glycol 3350 diffracted to 1.65 Å resolution and belonged to space group P1, with unit-cell parameters a = 54.3, b = 59.3, c = 62.6 Å, α = 69, β = 81, γ = 80°. Another crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M sodium chloride and 20%(w/v) polyethylene glycol 3350 diffracted to 1.55 Å resolution and belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 54.3, b = 110, c = 130 Å. These data will enable us to determine the crystal structure of PKS-1

Crystallization and preliminary X-ray diffraction studies of polyketide synthase-1 (PKS-1) from Cannabis sativa

Energy Technology Data Exchange (ETDEWEB)

Taguchi, Chiho [Faculty of Pharmaceutical Sciences, Kyushu University (Japan); Quantum Beam Science Directorate, Japan Atomic Energy Agency (Japan); Taura, Futoshi [Faculty of Pharmaceutical Sciences, Kyushu University (Japan); Tamada, Taro; Shoyama, Yoshinari [Quantum Beam Science Directorate, Japan Atomic Energy Agency (Japan); Shoyama, Yukihiro; Tanaka, Hiroyuki [Faculty of Pharmaceutical Sciences, Kyushu University (Japan); Kuroki, Ryota [Quantum Beam Science Directorate, Japan Atomic Energy Agency (Japan); Morimoto, Satoshi [Faculty of Pharmaceutical Sciences, Kyushu University (Japan)

2008-03-01

Polyketide synthase-1 from C. sativa has been crystallized. The crystal diffracted to 1.55 Å resolution with sufficient quality for further structure determination. Polyketide synthase-1 (PKS-1) is a novel type III polyketide synthase that catalyzes the biosynthesis of hexanoyl triacetic acid lactone in Cannabis sativa (Mexican strain). PKS-1 was overproduced in Escherichia coli, purified and finally crystallized in two different space groups. The crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M calcium acetate and 20%(w/v) polyethylene glycol 3350 diffracted to 1.65 Å resolution and belonged to space group P1, with unit-cell parameters a = 54.3, b = 59.3, c = 62.6 Å, α = 69, β = 81, γ = 80°. Another crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M sodium chloride and 20%(w/v) polyethylene glycol 3350 diffracted to 1.55 Å resolution and belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 54.3, b = 110, c = 130 Å. These data will enable us to determine the crystal structure of PKS-1.

Purification, crystallization and preliminary diffraction studies of an ectromelia virus glutaredoxin

International Nuclear Information System (INIS)

Bacik, John-Paul; Brigley, Angela M.; Channon, Lisa D.; Audette, Gerald F.; Hazes, Bart

2005-01-01

Ectromelia virus glutaredoxin has been crystallized in the presence of the reducing agent DTT. A diffraction data set has been collected and processed to 1.8 Å resolution. Ectromelia, vaccinia, smallpox and other closely related viruses of the orthopoxvirus genus encode a glutaredoxin gene that is not present in poxviruses outside of this genus. The vaccinia glutaredoxin O2L has been implicated as the reducing agent for ribonucleotide reductase and may thus play an important role in viral deoxyribonucleotide synthesis. As part of an effort to understand nucleotide metabolism by poxviruses, EVM053, the O2L ortholog of the ectromelia virus, has been crystallized. EVM053 crystallizes in space group C222 1 , with unit-cell parameters a = 61.98, b = 67.57, c = 108.55 Å. Diffraction data have been processed to 1.8 Å resolution and a self-rotation function indicates that there are two molecules per asymmetric unit

An investigation of the structure of disordered materials by using neutron diffraction

International Nuclear Information System (INIS)

Petri, I.

1999-01-01

The structure of several semiconducting, metallic and ionic disordered materials was investigated using neutron diffraction and the results were compared with those obtained from recent ab initio molecular dynamics methods. The method of isotopic substitution was applied to measure the full set of partial structure factors, S αβ (Q), for the liquid semiconductor GeSe and the covalent network glass GeSe 2 . Their short range ordering and for GeSe 2 also the intermediate range ordering were identified and a substantial number of 'defects' such as homopolar bonds were detected in both systems. Further, the structure of liquid GeSe 2 with increasing temperature was studied at the total structure factor level. Also, changes in the topology of Ge x Se 1-x glasses in the range 0 ≤ x ≤ 0.4 were observed and investigated by measuring the total structure factors. As far as possible our results were compared with those from molecular dynamics studies. The Ge-Se system was found to serve as a sensitive test-system for these studies, giving an insight into the strengths and limitations of them. For instance, problems are found in the region of the homopolar bonds for g GeGe (r) and for the first sharp diffraction peak in the Bhatia-Thornton concentration-concentration structure factor that could not be reproduced. The structure of liquid lithium was measured and particular attention was paid to the inelasticity and resolution function corrections. The ion-ion and ion-valence electron partial structure factors were obtained and found to be in good agreement with ab initio molecular dynamics studies. The method of first order difference functions in neutron diffraction in combination with H/D substitution was applied to 2 molal solutions of Cu(ClO 4 ) 2 in perchloric acid to measure the Cu-H and, to a first order approximation, the Cu-O partial structure factor. A (4 + 1) distortion of the hydration shell around the Cu 2+ ion was measured. (author)

Synchrotron X-ray diffraction using triple-axis spectrometry

International Nuclear Information System (INIS)

Als-Nielsen, J.

1980-12-01

High resolution X-ray diffraction studies of (i) monolayers of the noble gases Kr and Ar physiosorbed on graphite (ii) smectic A fluctuations in the nematic and the smectic A phases of liquid crystals are described. The apparatus used is a triple axis spectrometer situated at the storage ring DORIS at Hasylab, DESY, Hamburg. A monochromatic, well collimated beam is extracted from the synchrotron radiation spectrum by Bragg reflection from perfect Si or Ge crystals. The direction of the beam scattered from the sample is determined by Bragg reflection from a perfect Si or Ge crystal. High intensities even with resolution extending beyond the wavelength of visible light can be obtained. (Auth.)

A possibility of parallel and anti-parallel diffraction measurements on neu- tron diffractometer employing bent perfect crystal monochromator at the monochromatic focusing condition

Science.gov (United States)

Choi, Yong Nam; Kim, Shin Ae; Kim, Sung Kyu; Kim, Sung Baek; Lee, Chang-Hee; Mikula, Pavel

2004-07-01

In a conventional diffractometer having single monochromator, only one position, parallel position, is used for the diffraction experiment (i.e. detection) because the resolution property of the other one, anti-parallel position, is very poor. However, a bent perfect crystal (BPC) monochromator at monochromatic focusing condition can provide a quite flat and equal resolution property at both parallel and anti-parallel positions and thus one can have a chance to use both sides for the diffraction experiment. From the data of the FWHM and the Delta d/d measured on three diffraction geometries (symmetric, asymmetric compression and asymmetric expansion), we can conclude that the simultaneous diffraction measurement in both parallel and anti-parallel positions can be achieved.

Hard X-ray Microscopy with sub 30 nm Spatial Resolution

International Nuclear Information System (INIS)

Tang, M.-T.; Song, Y.-F.; Yin, G.-C.; Chen, J.-H.; Chen, Y.-M.; Liang, Keng S.; Chen, F.-R.; Duewer, F.; Yun Wenbing

2007-01-01

A transmission X-ray microscope (TXM) has been installed at the BL01B beamline at National Synchrotron Radiation Research Center in Taiwan. This state-of-the-art TXM operational in a range 8-11 keV provides 2D images and 3D tomography with spatial resolution 60 nm, and with the Zernike-phase contrast mode for imaging light materials such as biological specimens. A spatial resolution of the TXM better than 30 nm, apparently the best result in hard X-ray microscopy, has been achieved by employing the third diffraction order of the objective zone plate. The TXM has been applied in diverse research fields, including analysis of failure mechanisms in microelectronic devices, tomographic structures of naturally grown photonic specimens, and the internal structure of fault zone gouges from an earthquake core. Here we discuss the scope and prospects of the project, and the progress of the TXM in NSRRC

Diffraction-limited real-time terahertz imaging by optical frequency up-conversion in a DAST crystal.

Science.gov (United States)

Fan, Shuzhen; Qi, Feng; Notake, Takashi; Nawata, Kouji; Takida, Yuma; Matsukawa, Takeshi; Minamide, Hiroaki

2015-03-23

Real-time terahertz (THz) wave imaging has wide applications in areas such as security, industry, biology, medicine, pharmacy, and the arts. This report describes real-time room-temperature THz imaging by nonlinear optical frequency up-conversion in an organic 4-dimethylamino-N'-methyl-4'-stilbazolium tosylate (DAST) crystal, with high resolution reaching the diffraction limit. THz-wave images were converted to the near infrared region and then captured using an InGaAs camera in a tandem imaging system. The resolution of the imaging system was analyzed. Diffraction and interference of THz wave were observed in the experiments. Videos are supplied to show the interference pattern variation that occurs with sample moving and tilting.

Utilizing boron nitride sheets as thin supports for high resolution imaging of nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Wu, Yimin A; Kirkland, Angus I; Schaeffel, Franziska; Porfyrakis, Kyriakos; Young, Neil P; Briggs, G Andrew D; Warner, Jamie H, E-mail: Jamie.warner@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

2011-05-13

We demonstrate the use of thin BN sheets as supports for imaging nanocrystals using low voltage (80 kV) aberration-corrected high resolution transmission electron microscopy. This provides an alternative to the previously utilized 2D crystal supports of graphene and graphene oxide. A simple chemical exfoliation method is applied to get few layer boron nitride (BN) sheets with micrometer-sized dimensions. This generic approach of using BN sheets as supports is shown by depositing Mn doped ZnSe nanocrystals directly onto the BN sheets and resolving the atomic structure from both the ZnSe nanocrystals and the BN support. Phase contrast images reveal moire patterns of interference between the beams diffracted by the nanocrystals and the BN substrate that are used to determine the relative orientation of the nanocrystals with respect to the BN sheets and interference lattice planes. Double diffraction is observed and has been analyzed.

Utilizing boron nitride sheets as thin supports for high resolution imaging of nanocrystals

International Nuclear Information System (INIS)

Wu, Yimin A; Kirkland, Angus I; Schaeffel, Franziska; Porfyrakis, Kyriakos; Young, Neil P; Briggs, G Andrew D; Warner, Jamie H

2011-01-01

We demonstrate the use of thin BN sheets as supports for imaging nanocrystals using low voltage (80 kV) aberration-corrected high resolution transmission electron microscopy. This provides an alternative to the previously utilized 2D crystal supports of graphene and graphene oxide. A simple chemical exfoliation method is applied to get few layer boron nitride (BN) sheets with micrometer-sized dimensions. This generic approach of using BN sheets as supports is shown by depositing Mn doped ZnSe nanocrystals directly onto the BN sheets and resolving the atomic structure from both the ZnSe nanocrystals and the BN support. Phase contrast images reveal moire patterns of interference between the beams diffracted by the nanocrystals and the BN substrate that are used to determine the relative orientation of the nanocrystals with respect to the BN sheets and interference lattice planes. Double diffraction is observed and has been analyzed.

Evaluation of thin discontinuities in planar conducting materials using the diffraction of electromagnetic field

Science.gov (United States)

Savin, A.; Novy, F.; Fintova, S.; Steigmann, R.

2017-08-01

The current stage of nondestructive evaluation techniques imposes the development of new electromagnetic (EM) methods that are based on high spatial resolution and increased sensitivity. In order to achieve high performance, the work frequencies must be either radifrequencies or microwaves. At these frequencies, at the dielectric/conductor interface, plasmon polaritons can appear, propagating between conductive regions as evanescent waves. In order to use the evanescent wave that can appear even if the slits width is much smaller that the wavwelength of incident EM wave, a sensor with metamaterial (MM) is used. The study of the EM field diffraction against the edge of long thin discontinuity placed under the inspected surface of a conductive plate has been performed using the geometrical optics principles. This type of sensor having the reception coils shielded by a conductive screen with a circular aperture placed in the front of reception coil of emission reception sensor has been developed and “transported” information for obtaining of magnified image of the conductive structures inspected. This work presents a sensor, using MM conical Swiss roll type that allows the propagation of evanescent waves and the electromagnetic images are magnified. The test method can be successfully applied in a variety of applications of maxim importance such as defect/damage detection in materials used in automotive and aviation technologies. Applying this testing method, spatial resolution can be improved.

Phasor analysis of binary diffraction gratings with different fill factors

Energy Technology Data Exchange (ETDEWEB)

MartInez, Antonio [Departamento de Ciencia de Materiales, Optica y TecnologIa Electronica, Universidad Miguel Hernandez, 03202 Elche (Spain); Sanchez-Lopez, Ma del Mar [Instituto de BioingenierIa y Departamento de Fisica y Arquitectura de Computadores, Universidad Miguel Hernandez, 03202 Elche (Spain); Moreno, Ignacio [Departamento de Ciencia de Materiales, Optica y TecnologIa Electronica, Universidad Miguel Hernandez, 03202 Elche (Spain)

2007-09-11

In this work, we present a simple analysis of binary diffraction gratings with different slit widths relative to the grating period. The analysis is based on a simple phasor technique directly derived from the Huygens principle. By introducing a slit phasor and a grating phasor, the intensity of the diffracted orders and the grating's resolving power can be easily obtained without applying the usual Fourier transform operations required for these calculations. The proposed phasor technique is mathematically equivalent to the Fourier transform calculation of the diffraction order amplitude, and it can be useful to explain binary diffraction gratings in a simple manner in introductory physics courses. This theoretical analysis is illustrated with experimental results using a liquid crystal device to display diffraction gratings with different fill factors.

Characterization of an Yb:LuVO{sub 4} single crystal using X-ray topography, high-resolution X-ray diffraction, and X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Paszkowicz, W., E-mail: paszk@ifpan.edu.pl [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Romanowski, P.; Bak-Misiuk, J. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Wierzchowski, W. [Institute of Electronic Materials Technology, Wolczynska 133, PL-01919 Warsaw (Poland); Wieteska, K. [Institute of Atomic Energy POLATOM, PL-05400 Otwock-Swierk (Poland); Graeff, W. [HASYLAB at DESY, Notkestr. 85, D-22603 Hamburg (Germany); Iwanowski, R.J. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Heinonen, M.H. [Laboratory of Materials Science, Department of Physics, University of Turku, Vesilinnantie 5, FI-20014, Turku (Finland); Ermakova, O. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw (Poland); Dabkowska, H. [Department of Physics, McMaster University, Hamilton, Ontario, L8S 4M1 (Canada)

2011-10-15

Knowledge on the defect and electronic structure allows for improved modeling of material properties. A short literature review has shown that the information on defect structure of rare earth orthovanadate single crystals is limited. In this paper, defect and electronic structure of a needle-shaped Yb:LuVO{sub 4} single crystal grown by the slow cooling method have been studied by means of X-ray diffraction topography employing white synchrotron beam, high-resolution diffraction (HRD) and photoelectron spectroscopy (XPS) techniques. Topographic investigations show that the crystal is composed of two blocks disoriented by about 1.5{sup o} and separated by a narrow deformed region. Some contrasts observed within the crystal volume may be attributed to glide bands and sector boundaries. The contrasts appearing in the vicinity of the surface may be interpreted as due to the presence of small inclusions. The HRD study indicates, in particular, that among point defects, the vacancy type defects dominate and that the density of other defects is small in comparison. The XPS measurements enabled, despite highly insulating properties of the studied crystal, an analysis of its bulk electronic structure, including the main core-levels (O 1s, V 2p, Lu 4f) as well as the valence band range.

Nanocrystallite characterization of milled simulated dry process fuel powders by neutron diffraction

International Nuclear Information System (INIS)

Ryu, Ho Jin; Kang, Kwon Ho; Moon, Je Sun; Song, Kee Chan; Choi, Yong Nam

2003-01-01

The nano-scale crystallite sizes of simulated spent fuel powders were measured by the neutron diffraction line broadening method in order to analyze the sintering behavior of the dry process fuel. The mixed U0 2 and fission product oxide powders were dry-milled in an attritor for 30, 60, and 120 min. The diffraction patterns of the powders were obtained by using the high resolution powder diffractometer in the HANARO research reactor. Diffraction line broadening due to crystallite size was measured using various techniques such as the Stokes' deconvolution, profile fitting methods using Cauchy function, Gaussian function, and Voigt function, and the Warren-Averbach method. The r.m.s. strain, stacking fault, twin and dislocation density were measured using the information from the diffraction pattern. The realistic crystallite size can be obtained after separation of the contribution from the non-uniform strain, stacking fault and twin

Investigation of InAs/GaSb-based superlattices by diffraction methods

Energy Technology Data Exchange (ETDEWEB)

Ashuach, Y.; Kauffmann, Y.; Lakin, E. [Department of Materials Engineering, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Zolotoyabko, E., E-mail: zloto@tx.technion.ac.i [Department of Materials Engineering, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Grossman, S.; Klin, O.; Weiss, E. [SCD, SemiConductor Devices, P. O. Box 2250, Haifa 31021 (Israel)

2010-02-15

We use high-resolution X-ray diffraction and high-resolution transmission electron microscopy in order to study the strain state, atomic intermixing and layer thicknesses in the MBE-grown GaSb/InSb/InAs/InSb superlattices. Simple and fast metrology procedure is developed, which allows us to obtain the most important technological parameters, such as the thicknesses of the GaSb, InAs and ultra-thin InSb sub-layers, the superlattice period and the fraction of atomic substitutions in the InSb sub-layers.

New developments of TOF neutron diffraction at the IBR-2 pulsed reactor

International Nuclear Information System (INIS)

Balagurov, Anatoli M.

2001-01-01

Development of high-resolution RTOF Fourier technique for powder neutron diffraction studies is being continued at the IBR-2 pulsed reactor in Dubna. Besides some technical improvements in the operating HRFD instrument, a new dedicated instrument, Fourier Strain Diffractometer (FSD), for investigation of residual stresses in bulk materials has been constructed at IBR-2 in 1999. With a new HRFD Fourier chopper smaller than 10 μs TOF contribution in a resolution function was obtained in the experiment with perfect Si single crystal. A series of diffraction experiments with the beams from a new methane cold neutron moderator installed at the IBR-2 in 1999 is discussed. A comparison with the results obtained with the conventional water comb-like moderator shows that for various types of experiments, which are performed at HRFD and DN-2 diffractometers, the methane cold neutron source provides better conditions. (author)

Wide field and diffraction limited array camera for SIRTF

International Nuclear Information System (INIS)

Fazio, G.G.; Koch, D.G.; Melnick, G.J.

1986-01-01

The Infrared Array Camera for the Space Infrared Telescope Facility (SIRTF/IRAC) is capable of two-dimensional photometry in either a wide field or diffraction-limited mode over the wavelength interval from 2 to 30 microns. Three different two-dimensional direct readout (DRO) array detectors are being considered: Band 1-InSb or Si:In (2-5 microns) 128 x 128 pixels, Band 2-Si:Ga (5-18 microns) 64 x 64 pixels, and Band 3-Si:Sb (18-30 microns) 64 x 64 pixels. The hybrid DRO readout architecture has the advantages of low read noise, random pixel access with individual readout rates, and nondestructive readout. The scientific goals of IRAC are discussed, which are the basis for several important requirements and capabilities of the array camera: (1) diffraction-limited resolution from 2-30 microns, (2) use of the maximum unvignetted field of view of SIRTF, (3) simultaneous observations within the three infrared spectral bands, and (4) the capability for broad and narrow bandwidth spectral resolution. A strategy has been developed to minimize the total electronic and environmental noise sources to satisfy the scientific requirements. 7 references

Theory of time-resolved inelastic x-ray diffraction

DEFF Research Database (Denmark)

Lorenz, Ulf; Møller, Klaus Braagaard; Henriksen, Niels Engholm

2010-01-01

Starting from a general theory of time-resolved x-ray scattering, we derive a convenient expression for the diffraction signal based on a careful analysis of the relevant inelastic scattering processes. We demonstrate that the resulting inelastic limit applies to a wider variety of experimental...... conditions than similar, previously derived formulas, and it directly allows the application of selection rules when interpreting diffraction signals. Furthermore, we present a simple extension to systems simultaneously illuminated by x rays and a laser beam....

Aplanatic grazing incidence diffraction grating: a new optical element

International Nuclear Information System (INIS)

Hettrick, M.C.

1986-01-01

We present the theory of a grazing incidence reflection grating capable of imaging at submicron resolution. The optic is mechanically ruled on a spherical or cylindrical surface with varied groove spacings, delivering diffraction-limited response and a wide field of view at a selected wavelength. Geometrical aberrations are calculated on the basis of Fermat's principle, revealing significant improvements over a grazing incidence mirror. Aplanatic and quasi-aplanatic versions of the grating have applications in both imaging and scanning microscopes, microprobes, collimators, and telescopes. A 2-D crossed system of such gratings, similar to the grazing incidence mirror geometry of Kirkpatrick and Baez, could potentially provide spatial resolutions of --200 A

Crystallization and preliminary X-ray diffraction studies of ferredoxin reductase from Leptospira interrogans

International Nuclear Information System (INIS)

Nascimento, Alessandro S.; Ferrarezi, Thiago; Catalano-Dupuy, Daniela L.; Ceccarelli, Eduardo A.; Polikarpov, Igor

2006-01-01

Crystals adequate for X-ray diffraction analysis have been prepared from L. interrogans ferredoxin-NADP + reductase. Ferredoxin-NADP + reductase (FNR) is an FAD-containing enzyme that catalyzes electron transfer between NADP(H) and ferredoxin. Here, results are reported of the recombinant expression, purification and crystallization of FNR from Leptospira interrogans, a parasitic bacterium of animals and humans. The L. interrogans FNR crystals belong to a primitive monoclinic space group and diffract to 2.4 Å resolution at a synchrotron source

Crystallization and preliminary X-ray diffraction studies of ferredoxin reductase from Leptospira interrogans

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Alessandro S.; Ferrarezi, Thiago [Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador Saocarlense 400, São Carlos, SP, 13560-970 (Brazil); Catalano-Dupuy, Daniela L.; Ceccarelli, Eduardo A. [Facultad de Ciencias Bioquímicas y Farmacéuticas, Molecular Biology Division, Instituto de Biología Molecular y Celular de Rosario (IBR), CONICET, Universidad Nacional de Rosario, Suipacha 531, S2002LRK Rosario (Argentina); Polikarpov, Igor, E-mail: ipolikarpov@if.sc.usp.br [Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador Saocarlense 400, São Carlos, SP, 13560-970 (Brazil)

2006-07-01

Crystals adequate for X-ray diffraction analysis have been prepared from L. interrogans ferredoxin-NADP{sup +} reductase. Ferredoxin-NADP{sup +} reductase (FNR) is an FAD-containing enzyme that catalyzes electron transfer between NADP(H) and ferredoxin. Here, results are reported of the recombinant expression, purification and crystallization of FNR from Leptospira interrogans, a parasitic bacterium of animals and humans. The L. interrogans FNR crystals belong to a primitive monoclinic space group and diffract to 2.4 Å resolution at a synchrotron source.

Full factorial design applied to the synthesis of Pd-?Ag nanobars by the polyol method and the perspective for ethanol oxidation

OpenAIRE

Carrera-Cerritos, Raul; Ponce de Leon, Carlos; Ledesma-Garcia, J.; Fuentes-Ramirez, R.; Arriaga, L.G.

2014-01-01

Full factorial design methodology was applied to the synthesis and optimization of Pd–Ag nanobars usingthe polyol process as the reducer. The concentration of Br? ions, the temperature and the reaction timewere selected as factors to study, whereas the yield (% nanobars) was the response to be analyzed. Thenanoparticles were characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy,transmission electron microscopy, high-resolution transmission electron microscopy and X-rayphoto...

Low-resolution structure of Drosophila translin

Science.gov (United States)

Kumar, Vinay; Gupta, Gagan D.

2012-01-01

Crystals of native Drosophila melanogaster translin diffracted to 7 Å resolution. Reductive methylation of the protein improved crystal quality. The native and methylated proteins showed similar profiles in size-exclusion chromatography analyses but the methylated protein displayed reduced DNA-binding activity. Crystals of the methylated protein diffracted to 4.2 Å resolution at BM14 of the ESRF synchrotron. Crystals with 49% solvent content belonged to monoclinic space group P21 with eight protomers in the asymmetric unit. Only 2% of low-resolution structures with similar low percentage solvent content were found in the PDB. The crystal structure, solved by molecular replacement method, refined to Rwork (Rfree) of 0.24 (0.29) with excellent stereochemistry. The crystal structure clearly shows that drosophila protein exists as an octamer, and not as a decamer as expected from gel-filtration elution profiles. The similar octameric quaternary fold in translin orthologs and in translin–TRAX complexes suggests an up-down dimer as the basic structural subunit of translin-like proteins. The drosophila oligomer displays asymmetric assembly and increased radius of gyration that accounts for the observed differences between the elution profiles of human and drosophila proteins on gel-filtration columns. This study demonstrates clearly that low-resolution X-ray structure can be useful in understanding complex biological oligomers. PMID:23650579

Characterization of breast tissue using energy-dispersive X-ray diffraction computed tomography

International Nuclear Information System (INIS)

Pani, S.; Cook, E.J.; Horrocks, J.A.; Jones, J.L.; Speller, R.D.

2010-01-01

A method for sample characterization using energy-dispersive X-ray diffraction computed tomography (EDXRDCT) is presented. The procedures for extracting diffraction patterns from the data and the corrections applied are discussed. The procedures were applied to the characterization of breast tissue samples, 6 mm in diameter. Comparison with histological sections of the samples confirmed the possibility of grouping the patterns into five families, corresponding to adipose tissue, fibrosis, poorly differentiated cancer, well differentiated cancer and benign tumour.

D2B, a new high resolution neutron powder diffractometer at ILL Grenoble

International Nuclear Information System (INIS)

Hewat, A.W.

1987-01-01

Applications of high resolution neutron powder diffraction to materials science have grown rapidly in the past 10 years, with the development of Rietveld methods of profile refinement, and new high resolution diffractometers and multidetectors. Materials studied range from catalysts to zeolites, and from battery electrodes to prestressed superconducting wires. Although the techniques have now been adapted for X-ray and synchrotron radiation, neutron powder diffraction retains unique advantages. In this paper we describe the design and first test measurements on the latest high resolution powder diffractometer D2B at ILL Grenoble. A review of the applications is published in Chemica Scripta (1986). (author) 9 refs., 6 figs., 2 tabs

Solid-immersion fluorescence microscopy with increased emission and super resolution

Energy Technology Data Exchange (ETDEWEB)

Liau, Z. L.; Porter, J. M. [Lincoln Laboratory, Massachusetts Institute of Technology, Lexington, Massachusetts 02420 (United States); Liau, A. A.; Chen, J. J. [Institute for Medical Engineering and Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Salmon, W. C. [Whitehead Institute, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Sheu, S. S. [Department of Medicine, Jefferson Medical College, Philadelphia, Pennsylvania 19107 (United States)

2015-01-07

We investigate solid-immersion fluorescence microscopy suitable for super-resolution nanotechnology and biological imaging, and have observed limit of resolution as small as 15 nm with microspheres, mitochondria, and chromatin fibers. We have further observed that fluorescence efficiency increases with excitation power density, implicating appreciable stimulated emission and increased resolution. We discuss potential advantages of the solid-immersion microscopy, including combined use with previously established super-resolution techniques for reaching deeper beyond the conventional diffraction limit.

Crystallization of a fungal lytic polysaccharide monooxygenase expressed from glycoengineered Pichia pastoris for X-ray and neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

O; Dell, William B.; Swartz, Paul D.; Weiss, Kevin L.; Meilleur, Flora (ORNL); (NCSU)

2017-01-19

Lytic polysaccharide monooxygenases (LPMOs) are carbohydrate-disrupting enzymes secreted by bacteria and fungi that break glycosidic bondsviaan oxidative mechanism. Fungal LPMOs typically act on cellulose and can enhance the efficiency of cellulose-hydrolyzing enzymes that release soluble sugars for bioethanol production or other industrial uses. The enzyme PMO-2 fromNeurospora crassa(NcPMO-2) was heterologously expressed inPichia pastoristo facilitate crystallographic studies of the fungal LPMO mechanism. Diffraction resolution and crystal morphology were improved by expressingNcPMO-2 from a glycoengineered strain ofP. pastorisand by the use of crystal seeding methods, respectively. These improvements resulted in high-resolution (1.20 Å) X-ray diffraction data collection at 100 K and the production of a largeNcPMO-2 crystal suitable for room-temperature neutron diffraction data collection to 2.12 Å resolution.

Diffraction-based overlay for spacer patterning and double patterning technology

Science.gov (United States)

Lee, Byoung Hoon; Park, JeongSu; Lee, Jongsu; Park, Sarohan; Lim, ChangMoon; Yim, Dong-Gyu; Park, Sungki; Ryu, Chan-Ho; Morgan, Stephen; van de Schaar, Maurits; Fuchs, Andreas; Bhattacharyya, Kaustuve

2011-03-01

Overlay performance will be increasingly important for Spacer Patterning Technology (SPT) and Double Patterning Technology (DPT) as various Resolution Enhancement Techniques are employed to extend the resolution limits of lithography. Continuous shrinkage of devices makes overlay accuracy one of the most critical issues while overlay performance is completely dependent on exposure tool. Image Based Overlay (IBO) has been used as the mainstream metrology for overlay by the main memory IC companies, but IBO is not suitable for some critical layers due to the poor Tool Induced Shift (TIS) values. Hence new overlay metrology is required to improve the overlay measurement accuracy. Diffraction Based Overlay (DBO) is regarded to be an alternative metrology to IBO for more accurate measurements and reduction of reading errors. Good overlay performances of DBO have been reported in many articles. However applying DBO for SPT and DPT layers poses extra challenges for target design. New vernier designs are considered for different DPT and SPT schemes to meet overlay target in DBO system. In this paper, we optimize the design of the DBO target and the performance of DBO to meet the overlay specification of sub-3x nm devices which are using SPT and DPT processes. We show that the appropriate vernier design yields excellent overlay performance in residual and TIS. The paper also demonstrated the effects of vernier structure on overlay accuracy from SEM analysis.

On the extension of the Fermi-Watson Theorem to high energy diffraction

International Nuclear Information System (INIS)

Malecki, A.; Istituto Nazionale di Fisica Nucleare, Frascati

1995-12-01

The Fermi-Watson theorem, established for low energy reactions and then applied to high energy collision, is revisited. Its use for the processes of inelastic diffraction is discussed. The theorem turns out to be valid in the case inclusive cross-section of diffractive transition

Diffraction theory

NARCIS (Netherlands)

Bouwkamp, C.J.

1954-01-01

A critical review is presented of recent progress in classical diffraction theory. Both scalar and electromagnetic problems are discussed. The report may serve as an introduction to general diffraction theory although the main emphasis is on diffraction by plane obstacles. Various modifications of

Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers

DEFF Research Database (Denmark)

Stern, Stephan; Holmegaard, Lotte; Filsinger, Frank

2014-01-01

We give a detailed account of the theoretical analysis and the experimental results of an x-ray-diffraction experiment on quantum-state selected and strongly laser-aligned gas-phase ensembles of the prototypical large asymmetric rotor molecule 2,5-diiodobenzonitrile, performed at the Linac Cohere...

Localization-based super-resolution imaging of cellular structures.

Science.gov (United States)

Kanchanawong, Pakorn; Waterman, Clare M

2013-01-01

Fluorescence microscopy allows direct visualization of fluorescently tagged proteins within cells. However, the spatial resolution of conventional fluorescence microscopes is limited by diffraction to ~250 nm, prompting the development of super-resolution microscopy which offers resolution approaching the scale of single proteins, i.e., ~20 nm. Here, we describe protocols for single molecule localization-based super-resolution imaging, using focal adhesion proteins as an example and employing either photoswitchable fluorophores or photoactivatable fluorescent proteins. These protocols should also be easily adaptable to imaging a broad array of macromolecular assemblies in cells whose components can be fluorescently tagged and assemble into high density structures.

Diffraction by an immersed elastic wedge

CERN Document Server

Croisille, Jean-Pierre

1999-01-01

This monograph presents the mathematical description and numerical computation of the high-frequency diffracted wave by an immersed elastic wave with normal incidence. The mathematical analysis is based on the explicit description of the principal symbol of the pseudo-differential operator connected with the coupled linear problem elasticity/fluid by the wedge interface. This description is subsequently used to derive an accurate numerical computation of diffraction diagrams for different incoming waves in the fluid, and for different wedge angles. The method can be applied to any problem of coupled waves by a wedge interface. This work is of interest for any researcher concerned with high frequency wave scattering, especially mathematicians, acousticians, engineers.

The adsorption of methanol and water on SAPO-34: in situ and ex situ X-ray diffraction studies

DEFF Research Database (Denmark)

Wragg, David S.; Johnsen, Rune; Norby, Poul

2010-01-01

The adsorption of methanol on SAPO-34 has been studied using a combination of in situ synchrotron powder X-ray diffraction to follow the process and ex situ high resolution powder diffraction to determine the structure. The unit cell volume of SAPO-34 is found to expand by 0.5% during methanol ad...

New opportunities for 3D materials science of polycrystalline materials at the micrometre lengthscale by combined use of X-ray diffraction and X-ray imaging

Energy Technology Data Exchange (ETDEWEB)

Ludwig, W., E-mail: ludwig@esrf.fr [Universite de Lyon, INSA-Lyon, MATEIS CNRS UMR 5510, 69621Villeurbanne (France); European Synchrotron Radiation Facility, BP220, 38043 Grenoble (France); King, A. [European Synchrotron Radiation Facility, BP220, 38043 Grenoble (France); School of Materials, University of Manchester, Manchester, M13 9PL (United Kingdom); Reischig, P. [European Synchrotron Radiation Facility, BP220, 38043 Grenoble (France); Herbig, M. [Universite de Lyon, INSA-Lyon, MATEIS CNRS UMR 5510, 69621Villeurbanne (France); Lauridsen, E.M.; Schmidt, S. [Riso National Laboratory for Sustainable Energy, Technical University of Denmark, P.O. Box 49, DK-4000 Roskilde (Denmark); Proudhon, H.; Forest, S. [MINES ParisTech, Centre des materiaux, CNRS UMR 7633, BP 87, 91003 Evry Cedex (France); Cloetens, P.; Roscoat, S. Rolland du [European Synchrotron Radiation Facility, BP220, 38043 Grenoble (France); Buffiere, J.Y. [Universite de Lyon, INSA-Lyon, MATEIS CNRS UMR 5510, 69621Villeurbanne (France); Marrow, T.J. [School of Materials, University of Manchester, Manchester, M13 9PL (United Kingdom); Poulsen, H.F. [Riso National Laboratory for Sustainable Energy, Technical University of Denmark, P.O. Box 49, DK-4000 Roskilde (Denmark)

2009-10-25

Non-destructive, three-dimensional (3D) characterization of the grain structure in mono-phase polycrystalline materials is an open challenge in material science. Recent advances in synchrotron based X-ray imaging and diffraction techniques offer interesting possibilities for mapping 3D grain shapes and crystallographic orientations for certain categories of polycrystalline materials. Direct visualisation of the three-dimensional grain boundary network or of two-phase (duplex) grain structures by means of absorption and/or phase contrast techniques may be possible, but is restricted to specific material systems. A recent extension of this methodology, termed X-ray diffraction contrast tomography (DCT), combines the principles of X-ray diffraction imaging, three-dimensional X-ray diffraction microscopy (3DXRD) and image reconstruction from projections. DCT provides simultaneous access to 3D grain shape, crystallographic orientation and local attenuation coefficient distribution. The technique applies to the larger range of plastically undeformed, polycrystalline mono-phase materials, provided some conditions on grain size and texture are fulfilled. The straightforward combination with high-resolution microtomography opens interesting new possibilities for the observation of microstructure related damage and deformation mechanisms in these materials.

New opportunities for 3D materials science of polycrystalline materials at the micrometre lengthscale by combined use of X-ray diffraction and X-ray imaging

International Nuclear Information System (INIS)

Ludwig, W.; King, A.; Reischig, P.; Herbig, M.; Lauridsen, E.M.; Schmidt, S.; Proudhon, H.; Forest, S.; Cloetens, P.; Roscoat, S. Rolland du; Buffiere, J.Y.; Marrow, T.J.; Poulsen, H.F.

2009-01-01

Non-destructive, three-dimensional (3D) characterization of the grain structure in mono-phase polycrystalline materials is an open challenge in material science. Recent advances in synchrotron based X-ray imaging and diffraction techniques offer interesting possibilities for mapping 3D grain shapes and crystallographic orientations for certain categories of polycrystalline materials. Direct visualisation of the three-dimensional grain boundary network or of two-phase (duplex) grain structures by means of absorption and/or phase contrast techniques may be possible, but is restricted to specific material systems. A recent extension of this methodology, termed X-ray diffraction contrast tomography (DCT), combines the principles of X-ray diffraction imaging, three-dimensional X-ray diffraction microscopy (3DXRD) and image reconstruction from projections. DCT provides simultaneous access to 3D grain shape, crystallographic orientation and local attenuation coefficient distribution. The technique applies to the larger range of plastically undeformed, polycrystalline mono-phase materials, provided some conditions on grain size and texture are fulfilled. The straightforward combination with high-resolution microtomography opens interesting new possibilities for the observation of microstructure related damage and deformation mechanisms in these materials.

High-resolution diffraction from crystals of a membrane-protein complex: bacterial outer membrane protein OmpC complexed with the antibacterial eukaryotic protein lactoferrin

International Nuclear Information System (INIS)

Sundara Baalaji, N.; Acharya, K. Ravi; Singh, T. P.; Krishnaswamy, S.

2005-01-01

Crystals of the complex formed between the bacterial membrane protein OmpC and the antibacterial protein lactoferrin suitable for high-resolution structure determination have been obtained. The crystals belong to the hexagonal space group P6, with unit-cell parameters a = b = 116.3, c = 152.4 Å. Crystals of the complex formed between the outer membrane protein OmpC from Escherichia coli and the eukaryotic antibacterial protein lactoferrin from Camelus dromedarius (camel) have been obtained using a detergent environment. Initial data processing suggests that the crystals belong to the hexagonal space group P6, with unit-cell parameters a = b = 116.3, c = 152.4 Å, α = β = 90, γ = 120°. This indicated a Matthews coefficient (V M ) of 3.3 Å 3 Da −1 , corresponding to a possible molecular complex involving four molecules of lactoferrin and two porin trimers in the unit cell (4832 amino acids; 533.8 kDa) with 63% solvent content. A complete set of diffraction data was collected to 3 Å resolution at 100 K. Structure determination by molecular replacement is in progress. Structural study of this first surface-exposed membrane-protein complex with an antibacterial protein will provide insights into the mechanism of action of OmpC as well as lactoferrin

Coherent diffractive imaging of solid state reactions in zinc oxide crystals

Science.gov (United States)

Leake, Steven J.; Harder, Ross; Robinson, Ian K.

2011-11-01

We investigated the doping of zinc oxide (ZnO) microcrystals with iron and nickel via in situ coherent x-ray diffractive imaging (CXDI) in vacuum. Evaporated thin metal films were deposited onto the ZnO microcrystals. A single crystal was selected and tracked through annealing cycles. A solid state reaction was observed in both iron and nickel experiments using CXDI. A combination of the shrink wrap and guided hybrid-input-output phasing methods were applied to retrieve the electron density. The resolution was 33 nm (half order) determined via the phase retrieval transfer function. The resulting images are nevertheless sensitive to sub-angstrom displacements. The exterior of the microcrystal was found to degrade dramatically. The annealing of ZnO microcrystals coated with metal thin films proved an unsuitable doping method. In addition the observed defect structure of one crystal was attributed to the presence of an array of defects and was found to change upon annealing.

Object-oriented classification of land use in urban areas applying very high resolution satellite data

International Nuclear Information System (INIS)

Bauer, T.B.

2001-08-01

The availability of the new very high resolution satellite imagery will offer a wide range of new applications in the field of remote sensing. Information about actual land use is an important task for the management and planning in urban areas. High resolution satellite data will be an alternative to aerial photographs for updating and maintaining cartographic and geographic databases at reduced costs. The aim of the research is to formalize the visual interpretation procedure in order to automate the whole process. The assumption underlying this approach is that the land use functions can be distinguished on the basis of the differences in spatial distribution and pattern of land cover forms. Therefore a two-stage classification procedure is applied. In a first stage a land cover map is produced. In a second stage the morphological properties and spatial patterns of the land cover objects are analyzed with the structural analyzing and mapping system leading to a characterization and description of distinct urban land use categories. This information is then used for building a rule system that is implemented in a new commercial software tool called eCognition. An object-oriented classifier applies the rules to the land cover objects resulting in the required land use map. The potential of this method is demonstrated in a case study using IKONOS data covering a part of the metropolitan area of Vienna. (author)

Study of the dependence of resolution temporal activity for a Philips gemini TF PET/CT scanner by applying a statistical analysis of time series

International Nuclear Information System (INIS)

Sanchez Merino, G.; Cortes Rpdicio, J.; Lope Lope, R.; Martin Gonzalez, T.; Garcia Fidalgo, M. A.

2013-01-01

The aim of the present work is to study the dependence of temporal resolution with the activity using statistical techniques applied to the series of values time series measurements of temporal resolution during daily equipment checks. (Author)

Crystallization and preliminary X-ray diffraction analysis of the glucuronoyl esterase catalytic domain from Hypocrea jecorina

International Nuclear Information System (INIS)

Wood, S. J.; Li, X.-L.; Cotta, M. A.; Biely, P.; Duke, N. E. C.; Schiffer, M.; Pokkuluri, P. R.

2008-01-01

The catalytic domain of the glucuronoyl esterase from H. jecorina was overexpresssed, purified and crystallized in space group P2 1 2 1 2 1 . X-ray diffraction data were collected to 1.9 Å resolution. The catalytic domain of the glucuronoyl esterase from Hypocrea jecorina (anamorph Trichoderma reesei) was overexpresssed, purified and crystallized by the sitting-drop vapor-diffusion method using 1.4 M sodium/potassium phosphate pH 6.9. The crystals belonged to space group P2 1 2 1 2 1 and X-ray diffraction data were collected to 1.9 Å resolution. This is the first enzyme with glucoronoyl esterase activity to be crystallized; its structure will be valuable in lignocellulose-degradation research

LCP crystallization and X-ray diffraction analysis of VcmN, a MATE transporter from Vibrio cholerae

Energy Technology Data Exchange (ETDEWEB)

Kusakizako, Tsukasa [Graduate School of Science, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Tanaka, Yoshiki [Graduate School of Biological Sciences, Nara Institute of Science and Technology, 8916-5 Takayama-cho, Ikoma, Nara 630-0192 (Japan); Hipolito, Christopher J. [Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8575 (Japan); Kuroda, Teruo [Graduate School of Biomedical and Health Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8553 (Japan); Ishitani, Ryuichiro [Graduate School of Science, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Suga, Hiroaki [Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Nureki, Osamu, E-mail: nureki@bs.s.u-tokyo.ac.jp [Graduate School of Science, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan)

2016-06-22

A V. cholerae MATE transporter was crystallized using the lipidic cubic phase (LCP) method. X-ray diffraction data sets were collected from single crystals obtained in a sandwich plate and a sitting-drop plate to resolutions of 2.5 and 2.2 Å, respectively. Multidrug and toxic compound extrusion (MATE) transporters, one of the multidrug exporter families, efflux xenobiotics towards the extracellular side of the membrane. Since MATE transporters expressed in bacterial pathogens contribute to multidrug resistance, they are important therapeutic targets. Here, a MATE-transporter homologue from Vibrio cholerae, VcmN, was overexpressed in Escherichia coli, purified and crystallized in lipidic cubic phase (LCP). X-ray diffraction data were collected to 2.5 Å resolution from a single crystal obtained in a sandwich plate. The crystal belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 52.3, b = 93.7, c = 100.2 Å. As a result of further LCP crystallization trials, crystals of larger size were obtained using sitting-drop plates. X-ray diffraction data were collected to 2.2 Å resolution from a single crystal obtained in a sitting-drop plate. The crystal belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 61.9, b = 91.8, c = 100.9 Å. The present work provides valuable insights into the atomic resolution structure determination of membrane transporters.

Fundamentals of powder x-ray diffraction practice

International Nuclear Information System (INIS)

Raftery, T.

2002-01-01

Full text: The goal of powder Xray diffraction is to gain information about a specimen or sample. Key aspects of this goal are 1. the sample selection, preparation and presentation; 2. the data collection process and conditions; 3. the interaction between these and the interpretation of the data. The 'ideal' powder (or polycrystalline) xray diffraction sample is fine grained, randomly orientated, homogenous and representative. There exists standard sample selection and preparation techniques for powders - sometimes however, the required information must be gained by alternate sample selection and preparation techniques. While there are few variables in the data collection process, there are some significant ones such as matching diffractometer resolution and intensity to the data collection goal whether that is phase identity, quantitative analysis or structure refinement, etc. There are also options of optical arrangement (Bragg-Brintano versus parallel beam versus Debye-Scherrer). One important aspect of the collection process is the assessment of the data quality. Powder xray diffraction has many applications from the straight-forward confirmation of phase identity and purity to structural analysis. Some of these applications will be considered and the interaction between the goal of the application and aspects of sample selection. Copyright (2002) Australian X-ray Analytical Association Inc

Molecular beam epitaxial growth mechanism of ZnSe epilayers on (100) GaAs as determined by reflection high-energy electron diffraction, transmission electron microscopy and X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Ruppert, P.; Hommel, D.; Behr, T.; Heinke, H.; Waag, A.; Landwehr, G. (Physikalisches Inst., Univ. Wuerzburg (Germany))

1994-04-14

The properties of molecular beam epitaxial growth of ZnSe epilayers deposited directly on a GaAs substrate are compared to those grown on a GaAs buffer layer. The superior quality of the latter is confirmed by RHEED, TEM and X-ray diffraction. Based on RHEED oscillation studies, a model explaining the dependence of the ZnSe growth rate on Zn and Se fluxes and the substrate temperature is developed taking into account physisorbed and chemisorbed states. For partially relaxed epilayers, the correlation between the relaxation state and the crystalline mosaicity, as found by high resolution X-ray diffraction, is discussed

The PIAA Coronagraph: Optical design and Diffraction Effects

Science.gov (United States)

Pluzhnik, E. A.; Guyon, O.; Ridgway, S.; Martinache, F.; Woodruff, R.; Blain, C.; Galicher, R.

2005-12-01

Properly apodized pupils are suitable for high dynamical range imaging of extrasolar terrestrial planets. Phase-induced amplitude apodization (PIAA) of the telescope pupil (Guyon 2003) combines the advantages of classical pupil apodization with full throughput, no loss of angular resolution and low chromaticity. Diffraction propagation effects can decrease both the achieved contrast and the spectral bandwidth of the coronagraph. We show here how the diffraction effects in the PIAA optics can be corrected by an appropriate optical design. The proposed hybrid coronagraph design preserves the 10-10 PSF contrast at ≈ 1.5 λ /d required for efficient exoplanet imaging over the whole visible spectrum. This work was carried out under JPL contract numbers 1254445 and 1257767 for Development of Technologies for the Terrestrial Planet Finder Mission, with the support and hospitality of the National Astronomical Observatory of Japan.

Interphase microstress measurements in IN 718 by cold neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Repper, J.; Link, P.; Hofmann, M.; Petry, W. [TU Muenchen, Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Garching (Germany); Krempaszky, C. [TU Muenchen, Christian-Doppler-Labor fuer Werkstoffmechanik von Hochleistungslegierungen, Garching (Germany); Werner, E. [TU Muenchen, Lehrstuhl fuer Werkstoffkunde und Werkstoffmechanik, Garching (Germany)

2010-06-15

Thermal neutron diffraction is an important and reliable method for the investigation of microscopic stresses. The measurement of Bragg reflections caused by phases of small volume fractions, however, is often intricate due to low intensities and overlapping peaks. The wavelength range of cold neutrons allows to shift the Bragg reflections to larger scattering angles resulting in an increase of relative distances between Bragg reflections. The high resolution of cold neutron diffraction technique is demonstrated by in-situ load tests in which selected Bragg reflections caused by precipitates with small volume fractions in the precipitation strengthened alloy IN 718 are observed. The accumulated microstrains show marked differences in dependence of the precipitated phases within the matrix phase. (orig.)

Super-resolution optical microscopy for studying membrane structure and dynamics.

Science.gov (United States)

Sezgin, Erdinc

2017-07-12

Investigation of cell membrane structure and dynamics requires high spatial and temporal resolution. The spatial resolution of conventional light microscopy is limited due to the diffraction of light. However, recent developments in microscopy enabled us to access the nano-scale regime spatially, thus to elucidate the nanoscopic structures in the cellular membranes. In this review, we will explain the resolution limit, address the working principles of the most commonly used super-resolution microscopy techniques and summarise their recent applications in the biomembrane field.

AUSPEX: a graphical tool for X-ray diffraction data analysis.

Science.gov (United States)

Thorn, Andrea; Parkhurst, James; Emsley, Paul; Nicholls, Robert A; Vollmar, Melanie; Evans, Gwyndaf; Murshudov, Garib N

2017-09-01

In this paper, AUSPEX, a new software tool for experimental X-ray data analysis, is presented. Exploring the behaviour of diffraction intensities and the associated estimated uncertainties facilitates the discovery of underlying problems and can help users to improve their data acquisition and processing in order to obtain better structural models. The program enables users to inspect the distribution of observed intensities (or amplitudes) against resolution as well as the associated estimated uncertainties (sigmas). It is demonstrated how AUSPEX can be used to visually and automatically detect ice-ring artefacts in integrated X-ray diffraction data. Such artefacts can hamper structure determination, but may be difficult to identify from the raw diffraction images produced by modern pixel detectors. The analysis suggests that a significant portion of the data sets deposited in the PDB contain ice-ring artefacts. Furthermore, it is demonstrated how other problems in experimental X-ray data caused, for example, by scaling and data-conversion procedures can be detected by AUSPEX.

Tensometry technique for X-ray diffraction in applied analysis of welding

International Nuclear Information System (INIS)

Turibus, S.N.; Caldas, F.C.M.; Miranda, D.M.; Monine, V.I.; Assis, J.T.

2010-01-01

This paper presents the analysis of residual stress introduced in welding process. As the stress in a material can induce damages, it is necessary to have a method to identify this residual stress state. For this it was used the non-destructive X-ray diffraction technique to analyze two plates from A36 steel jointed by metal inert gas (MIG) welding. The stress measurements were made by the sin 2 ψ method in weld region of steel plates including analysis of longitudinal and transverse residual stresses in fusion zone, heat affected zone (HAZ) and base metal. To determine the stress distribution along the depth of the welded material it was used removing of superficial layers made by electropolishing. (author)

Analysis of the diffraction peaks in the ZrCr2 system

International Nuclear Information System (INIS)

Quiroga, A.A.; Esquivel, M.R.

2009-01-01

In this work, the crystalline structures of Cr and Zr are characterized by X-ray Diffraction (XRD). The diffraction peaks are simulated using a numerical convolution of the Gauss and Lorentz functions. The simulation of the model is verified using empirical measurements of the diffraction peaks. From these results, the microstructure parameters of Zr and Cr are obtained: crystallite size (d) and strain (s). The advances obtained are used in the design of the synthesis of AB 2 intermetallics applied to thermal compression of hydrogen (Tch). (author)

Crystallization and preliminary X-ray diffraction analysis of recombinant hepatitis E virus-like particle

International Nuclear Information System (INIS)

Wang, Che-Yen; Miyazaki, Naoyuki; Yamashita, Tetsuo; Higashiura, Akifumi; Nakagawa, Atsushi; Li, Tian-Cheng; Takeda, Naokazu; Xing, Li; Hjalmarsson, Erik; Friberg, Claes; Liou, Der-Ming; Sung, Yen-Jen; Tsukihara, Tomitake; Matsuura, Yoshiharu; Miyamura, Tatsuo; Cheng, R. Holland

2008-01-01

A recombinant virus-like particle that is a potential oral hepatitis E vaccine was crystallized. Diffraction data were collected to 8.3 Å resolution and the X-ray structure was phased with the aid of a low-resolution density map determined using cryo-electron microscopy data. Hepatitis E virus (HEV) accounts for the majority of enterically transmitted hepatitis infections worldwide. Currently, there is no specific treatment for or vaccine against HEV. The major structural protein is derived from open reading frame (ORF) 2 of the viral genome. A potential oral vaccine is provided by the virus-like particles formed by a protein construct of partial ORF3 protein (residue 70–123) fused to the N-terminus of the ORF2 protein (residues 112–608). Single crystals obtained by the hanging-drop vapour-diffusion method at 293 K diffract X-rays to 8.3 Å resolution. The crystals belong to space group P2 1 2 1 2 1 , with unit-cell parameters a = 337, b = 343, c = 346 Å, α = β = γ = 90°, and contain one particle per asymmetric unit

Astrophysical targets of the Fresnel diffractive imager

Science.gov (United States)

Koechlin, L.; Deba, P.; Raksasataya, T.

2017-11-01

The Fresnel Diffractive imager is an innovative concept of distributed space telescope, for high resolution (milli arc-seconds) spectro-imaging in the IR, visible and UV domains. This paper presents its optical principle and the science that can be done on potential astrophysical targets. The novelty lies in the primary optics: a binary Fresnel array, akin to a binary Fresnel zone plate. The main interest of this approach is the relaxed manufacturing and positioning constraints. While having the resolution and imaging capabilities of lens or mirrors of equivalent size, no optical material is involved in the focusing process: just vacuum. A Fresnel array consists of millions void subapertures punched into a large and thin opaque membrane, that focus light by diffraction into a compact and highly contrasted image. The positioning law of the aperture edges drives the image quality and contrast. This optical concept allows larger and lighter apertures than solid state optics, aiming to high angular resolution and high dynamic range imaging, in particular for UV applications. Diffraction focusing implies very long focal distances, up to dozens of kilometers, which requires at least a two-vessel formation flying in space. The first spacecraft, "the Fresnel Array spacecraft", holds the large punched foil: the Fresnel Array. The second, the "Receiver spacecraft" holds the field optics and focal instrumentation. A chromatism correction feature enables moderately large (20%) relative wavebands, and fields of a few to a dozen arc seconds. This Fresnel imager is adapted to high contrast stellar environments: dust disks, close companions and (we hope) exoplanets. Specific to the particular grid-like pattern of the primary focusing zone plate, is the very high dynamic range achieved in the images, in the case of compact objects. Large stellar photospheres may also be mapped with Fresnel arrays of a few meters opertaing in the UV. Larger and more complex fields can be imaged with

Fermi surface of a disordered Cu-Al -alloy single crystal studied by high-resolution Compton scattering and electron diffraction

Science.gov (United States)

Kwiatkowska, J.; Maniawski, F.; Matsumoto, I.; Kawata, H.; Shiotani, N.; Lityńska, L.; Kaprzyk, S.; Bansil, A.

2004-08-01

We have measured high resolution Compton scattering profiles for momentum transfer along a series of 28 independent directions from Cu0.842Al0.158 disordered alloy single crystals with normals to the surfaces oriented along the [100], [110], and [111] directions. The experimental spectra are interpreted via parallel first-principles KKR-CPA (Korringa-Kohn-Rostoker coherent-potential approximation) computations of these directional profiles. The Fermi surface determined by inverting the Compton data is found to be in good agreement with the KKR-CPA predictions. An electron diffraction study of the present Cu0.842Al0.158 sample is additionally undertaken to gain insight into short-range ordering effects. The scattering pattern displays not only the familiar diffuse scattering peaks, but also shows the presence of weak streaks interconnecting the four diffuse scattering spots around the (110) reciprocal lattice points. This study provides a comprehensive picture of the evolution of the shape of the Fermi surface of Cu with the addition of Al . Our results are consistent with the notion that Fermi surface nesting is an important factor in driving short-range ordering effects in disordered alloys.

Nanostructured diffractive optical devices for soft X-ray microscopes

CERN Document Server

Hambach, D; Schneider, G

2001-01-01

The new transmission X-ray microscope (TXM) installed at the BESSY II electron storage ring uses an off-axis transmission zone plate (OTZ) as diffractive and focusing element of the condenser-monochromator setup. A high resolution micro-zone plate (MZP) forms a magnified image on a CCD-detector. Both, the OTZ with an active area of up to 24 mm sup 2 and the MZP with zone widths as small as 25 nm are generated by a process including electron beam lithography (EBL), dry etching and subsequent electroplating of nickel on top of silicon membrane substrates with about 100-150 nm thickness. The combination of a larger zone width and the usage of nickel zone structures allows to increase the diffraction efficiency of the condenser element at least by a factor of 3 compared to the earlier used KZP7 condenser zone plate in the TXM at BESSY I. Groove diffraction efficiencies of 21.6% and 14.7% were measured for MZP objectives with 40 and 25 nm outermost zone width, respectively.

KINOFORM LENSES - TOWARD NANOMETER RESOLUTION.

Energy Technology Data Exchange (ETDEWEB)

STEIN, A.; EVANS-LUTTERODT, K.; TAYLOR, A.

2004-10-23

While hard x-rays have wavelengths in the nanometer and sub-nanometer range, the ability to focus them is limited by the quality of sources and optics, and not by the wavelength. A few options, including reflective (mirrors), diffractive (zone plates) and refractive (CRL's) are available, each with their own limitations. Here we present our work with kinoform lenses which are refractive lenses with all material causing redundant 2{pi} phase shifts removed to reduce the absorption problems inherently limiting the resolution of refractive lenses. By stacking kinoform lenses together, the effective numerical aperture, and thus the focusing resolution, can be increased. The present status of kinoform lens fabrication and testing at Brookhaven is presented as well as future plans toward achieving nanometer resolution.

Serial femtosecond X-ray diffraction of enveloped virus microcrystals

Directory of Open Access Journals (Sweden)

Robert M. Lawrence

2015-07-01

Full Text Available Serial femtosecond crystallography (SFX using X-ray free-electron lasers has produced high-resolution, room temperature, time-resolved protein structures. We report preliminary SFX of Sindbis virus, an enveloped icosahedral RNA virus with ∼700 Å diameter. Microcrystals delivered in viscous agarose medium diffracted to ∼40 Å resolution. Small-angle diffuse X-ray scattering overlaid Bragg peaks and analysis suggests this results from molecular transforms of individual particles. Viral proteins undergo structural changes during entry and infection, which could, in principle, be studied with SFX. This is an important step toward determining room temperature structures from virus microcrystals that may enable time-resolved studies of enveloped viruses.

Industrial applications of neutron diffraction

International Nuclear Information System (INIS)

Felcher, G.P.

1989-01-01

Neutron diffraction (or, to be more general, neutron scattering) is a most versatile and universal tool, which has been widely employed to probe the structure, the dynamics and the magnetism of condensed matter. Traditionally used for fundamental research in solid state physics, this technique more recently has been applied to problems of immediate industrial interest, as illustrated in examples covering the main fields of endeavour. 14 refs., 14 figs

X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates

Directory of Open Access Journals (Sweden)

Katharina Fucke

2010-07-01

Full Text Available A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the molecular conformation, packing and hydrogen bonding in the crystal structure, while powder X-ray diffraction on bulk material can trace hydration/dehydration processes and phase transitions under non-ambient conditions. Neutron diffraction is a valuable complementary technique to X-ray diffraction and gives highly accurate hydrogen atom positions due to the interaction of the radiation with the atomic nuclei. Although not yet often applied to organic hydrates, neutron single crystal and neutron powder diffraction give precise structural data on hydrogen bonding networks which will help explain why hydrates form in the first place.

Diffractive heavy quark production in AA collisions at the LHC at NLO

Science.gov (United States)

Machado, M. M.; Ducati, M. B. Gay; Machado, M. V. T.

2011-07-01

The single and double diffractive cross sections for heavy quarks production are evaluated at NLO accuracy for hadronic and heavy ion collisions at the LHC. Diffractive charm and bottom production is the main subject of this work, providing predictions for CaCa, PbPb and pPb collisions. The hard diffraction formalism is considered using the Ingelman-Schlein model where a recent parametrization for the Pomeron structure function (DPDF) is applied. Absorptive corrections are taken into account as well. The diffractive ratios are estimated and theoretical uncertainties are discussed. Comparison with competing production channels is also presented.

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

International Nuclear Information System (INIS)

Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami

2016-01-01

Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe_2O_4 (inverse spinel structure) using X-rays near Fe K absorption edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe_2O_4 crystal structure.

Observation of diffraction effects in positron channeling

International Nuclear Information System (INIS)

Palathingal, J.C.; Peng, J.P.; Lynn, K.G.; Wu, X.Y.; Schultz, P.J.

1994-01-01

An experimental investigation of positron channeling was made with a high-angular resolution apparatus, employing positrons of kinetic energy 1 MeV, derived from the Brookhaven National Laboratory Dynamitron. The pattern of transmission through a Si (100) single crystal of thickness 0.245 μm was investigated for a number of major planes. The authors have observed for the first time, in excellent detail, the fine structure of the channeling pattern expected to arise from the particle diffraction effects, theoretically explainable in terms of the quantum-mechanical many-beam calculations

Resolution of the neutron diffractometer of the Mexican Nuclear Center

International Nuclear Information System (INIS)

Macias B, L.R.; Garcia C, R.M.; Ita T, A. De

2003-01-01

The neutron diffractometer has three collimators and a monochromator of which it depends the resolution of the same one and exists a commitment between the resolution of the diffractometer and its intensity; if it is sought to work with more resolution, the intensity will diminish, and also, if one has little volume of the material, the diffracted light it is diminished, so the selection of the values of the collimators is this way important to have an unique value of the resolution of the diffractometer. (Author)

Enhancing core-diffracted arrivals by supervirtual interferometry

KAUST Repository

Bharadwaj, P.

2013-12-03

A supervirtual interferometry (SVI) method is presented that can enhance the signal-to-noise ratio (SNR) of core diffracted waveforms by as much as O( √ N), where N is the number of inline receivers that record the core-mantle boundary (CMB) diffractions from more than one event. Here, the events are chosen to be approximately inline with the receivers along the same great circle. Results with synthetic and teleseismic data recorded by USArray stations demonstrate that formerly unusable records with low SNR can be transformed to high SNR records with clearly visible CMB diffractions. Another benefit is that SVI allows for the recording of a virtual earthquake at stations not deployed during the time of the earthquake. This means that portable arrays such as USArray can extend the aperture of one recorded earthquake from the West coast to the East coast, even though the teleseism might have only been recorded during theWest coast deployment. In summary, SVI applied to teleseismic data can significantly enlarge the catalogue of usable records both in SNR and available aperture for analysing CMB diffractions. A potential drawback of this method is that it generally provides the correct kinematics of CMB diffractions, but does not necessarily preserve correct amplitude information. © The Authors 2013. Published by Oxford University Press on behalf of The Royal Astronomical Society.

Novel radio-frequency gun structures for ultrafast relativistic electron diffraction.

Science.gov (United States)

Musumeci, P; Faillace, L; Fukasawa, A; Moody, J T; O'Shea, B; Rosenzweig, J B; Scoby, C M

2009-08-01

Radio-frequency (RF) photoinjector-based relativistic ultrafast electron diffraction (UED) is a promising new technique that has the potential to probe structural changes at the atomic scale with sub-100 fs temporal resolution in a single shot. We analyze the limitations on the temporal and spatial resolution of this technique considering the operating parameters of a standard 1.6 cell RF gun (which is the RF photoinjector used for the first experimental tests of relativistic UED at Stanford Linear Accelerator Center; University of California, Los Angeles; Brookhaven National Laboratory), and study the possibility of employing novel RF structures to circumvent some of these limits.

Atoms in Action: Observing Atomic Motion with Dynamic in situ X-ray Diffraction

Science.gov (United States)

Cox, Jordan Michael

Metal-organic framework (MOF) materials are rich in both structural diversity and application. These materials are comprised of metal atoms or clusters which are connected in a three-dimensional polymer-like network by bridging organic linker molecules. One of the major attractive features in MOFs is their permanent pore space which can potentially be used to adsorb or exchange foreign molecules from/with the surrounding environment. While MOFs are an active area of scientific interest, MOF materials are still relatively new, only 20 years old. As such, there is still much that needs to be understood about these materials before they can be effectively applied to widespread chemical problems like CO2 sequestration or low-pressure hydrogen fuel storage. One of the most important facets of MOF chemistry to understand in order to rationally design MOF materials with tailor-made properties is the relationship between the structural features in a MOF and the chemical and physical properties of that material. By examining in detail the atomic structure of a MOF with known properties under a variety of conditions, scientists can begin to unravel the guiding principles which govern these relationships. X-ray diffraction remains one of the most effective tools for determining the structure of a crystalline material with atomic resolution, and has been applied to the determination of MOF structures for years. Typically these experiments have been carried out using powder X-ray diffraction, but this technique lacks the high-resolution structural information found in single-crystal methods. Some studies have been reported which use specialized devices, sometimes called Environmental Control Cells, to study single crystalline MOFs under non-ambient chemical conditions in situ . However, these in situ studies are performed under static conditions. Even in cases where the ECC provides continued access to the local chemical environment during diffraction data collections, the

Applying high-resolution melting (HRM) technology to olive oil and wine authenticity.

Science.gov (United States)

Pereira, Leonor; Gomes, Sónia; Barrias, Sara; Fernandes, José Ramiro; Martins-Lopes, Paula

2018-01-01

Olive oil and wine production have a worldwide economic impact. Their market reliability is under great concern because of the increasing number of fraud and adulteration attempts. The need for a traceability system in all its extension is crucial particularly for the cases of olive oils and wines with certified labels, in which only a limited number of olives and grapevine varieties, respectively, are allowed in a restricted well-defined geographical area. Molecular markers have been vastly applied to the food sector, and in particular High-Resolution DNA Melting technology has been successfully applied for olive oil and wine authentication, as part of the traceability system. In this review, the applications of HRM and their usefulness for this sector considering, Safety, Security and Authenticity will be reviewed. A broad overview of the HRM technique will be presented, focusing on the aspects that are crucial for its success, in particular the new generation of fluorescent dsDNA dyes used for amplicon detection and quantification, and the data analysis. A brief outlook on the olive oil and wine authenticity procedures, based on new DNA technology advances, and in which way this may influence the future establishment of a traceability system will be discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Humidity control and hydrophilic glue coating applied to mounted protein crystals improves X-ray diffraction experiments

International Nuclear Information System (INIS)

Baba, Seiki; Hoshino, Takeshi; Ito, Len; Kumasaka, Takashi

2013-01-01

A new crystal-mounting method has been developed that involves a combination of controlled humid air and polymer glue for crystal coating. This method is particularly useful when applied to fragile protein crystals that are known to be sensitive to subtle changes in their physicochemical environment. Protein crystals are fragile, and it is sometimes difficult to find conditions suitable for handling and cryocooling the crystals before conducting X-ray diffraction experiments. To overcome this issue, a protein crystal-mounting method has been developed that involves a water-soluble polymer and controlled humid air that can adjust the moisture content of a mounted crystal. By coating crystals with polymer glue and exposing them to controlled humid air, the crystals were stable at room temperature and were cryocooled under optimized humidity. Moreover, the glue-coated crystals reproducibly showed gradual transformations of their lattice constants in response to a change in humidity; thus, using this method, a series of isomorphous crystals can be prepared. This technique is valuable when working on fragile protein crystals, including membrane proteins, and will also be useful for multi-crystal data collection

Humidity control and hydrophilic glue coating applied to mounted protein crystals improves X-ray diffraction experiments

Energy Technology Data Exchange (ETDEWEB)

Baba, Seiki; Hoshino, Takeshi; Ito, Len; Kumasaka, Takashi, E-mail: kumasaka@spring8.or.jp [Japan Synchrotron Radiation Research Institute (JASRI/SPring-8), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

2013-09-01

A new crystal-mounting method has been developed that involves a combination of controlled humid air and polymer glue for crystal coating. This method is particularly useful when applied to fragile protein crystals that are known to be sensitive to subtle changes in their physicochemical environment. Protein crystals are fragile, and it is sometimes difficult to find conditions suitable for handling and cryocooling the crystals before conducting X-ray diffraction experiments. To overcome this issue, a protein crystal-mounting method has been developed that involves a water-soluble polymer and controlled humid air that can adjust the moisture content of a mounted crystal. By coating crystals with polymer glue and exposing them to controlled humid air, the crystals were stable at room temperature and were cryocooled under optimized humidity. Moreover, the glue-coated crystals reproducibly showed gradual transformations of their lattice constants in response to a change in humidity; thus, using this method, a series of isomorphous crystals can be prepared. This technique is valuable when working on fragile protein crystals, including membrane proteins, and will also be useful for multi-crystal data collection.

Reflectivity and diffraction of X rays applied to organic thin films

International Nuclear Information System (INIS)

Rieutord, Francois

1987-01-01

This research thesis reports the study of organic thin films by using X-ray-based technologies, and more particularly X-ray reflectivity. After some recalls on X ray diffraction, and on the fabrication of Langmuir-Blodgett films, the author shows how, by combining three X-ray-based techniques, it is possible to study a volume structure of a thin film. He describes the technique of measurement by X- ray reflexivity, its experimental implementation, and methods for result interpretation. In the next part, the author reports the study of peculiar interference effects which are noticed in reflexivity on Langmuir-Blodgett films, and then describes the nature of these films by correlating results of X ray reflexivity with direct observations performed by electronic microscopy on replica [fr

Habit modification of nearly perfect single crystals of potassium dihydrogen phosphate (KDP) by trivalent manganese ions studied using synchrotron radiation X-ray multiple diffraction in Renninger scanning mode

OpenAIRE

Lai, X; Roberts, KJ; Avanci, LH; Cardoso, LP; Sasaki, JM

2003-01-01

The X-ray multiple diffraction technique using synchrotron radiation is applied in the preliminary study of the habit modification of KDP samples as induced by incorporation of the trivalent transition metal cation Mn3+. High-resolution Renninger scans of pure and doped KDP were carried out using 400 as the primary reflection, echoing the fact that these impurity species were segregated in the {100} growth sector. The analysis of the Renninger scans of the doped KDP crystals is consistent wit...

Super-resolution pupil filtering for visual performance enhancement using adaptive optics

Science.gov (United States)

Zhao, Lina; Dai, Yun; Zhao, Junlei; Zhou, Xiaojun

2018-05-01

Ocular aberration correction can significantly improve visual function of the human eye. However, even under ideal aberration correction conditions, pupil diffraction restricts the resolution of retinal images. Pupil filtering is a simple super-resolution (SR) method that can overcome this diffraction barrier. In this study, a 145-element piezoelectric deformable mirror was used as a pupil phase filter because of its programmability and high fitting accuracy. Continuous phase-only filters were designed based on Zernike polynomial series and fitted through closed-loop adaptive optics. SR results were validated using double-pass point spread function images. Contrast sensitivity was further assessed to verify the SR effect on visual function. An F-test was conducted for nested models to statistically compare different CSFs. These results indicated CSFs for the proposed SR filter were significantly higher than the diffraction correction (p vision optical correction of the human eye.

Crystallization and preliminary X-ray diffraction analysis of the glucuronoyl esterase catalytic domain from Hypocrea jecorina

Energy Technology Data Exchange (ETDEWEB)

Wood, S. J. [Biosciences Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Li, X.-L.; Cotta, M. A. [Fermentation Biotechnology Research Unit, National Center for Agricultural Utilization Research, USDA-ARS, Peoria, Illinois 61604 (United States); Biely, P. [Institute of Chemistry, Slovak Academy of Sciences, 845 38 Bratislava (Slovakia); Duke, N. E. C.; Schiffer, M.; Pokkuluri, P. R., E-mail: rajp@anl.gov [Biosciences Division, Argonne National Laboratory, Argonne, IL 60439 (United States)

2008-04-01

The catalytic domain of the glucuronoyl esterase from H. jecorina was overexpresssed, purified and crystallized in space group P2{sub 1}2{sub 1}2{sub 1}. X-ray diffraction data were collected to 1.9 Å resolution. The catalytic domain of the glucuronoyl esterase from Hypocrea jecorina (anamorph Trichoderma reesei) was overexpresssed, purified and crystallized by the sitting-drop vapor-diffusion method using 1.4 M sodium/potassium phosphate pH 6.9. The crystals belonged to space group P2{sub 1}2{sub 1}2{sub 1} and X-ray diffraction data were collected to 1.9 Å resolution. This is the first enzyme with glucoronoyl esterase activity to be crystallized; its structure will be valuable in lignocellulose-degradation research.

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

International Nuclear Information System (INIS)

McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

2014-01-01

A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

Energy Technology Data Exchange (ETDEWEB)

McGreevy, Ryan; Singharoy, Abhishek [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Li, Qufei [The University of Chicago, Chicago, IL 60637 (United States); Zhang, Jingfen; Xu, Dong [University of Missouri, Columbia, MO 65211 (United States); Perozo, Eduardo [The University of Chicago, Chicago, IL 60637 (United States); Schulten, Klaus, E-mail: kschulte@ks.uiuc.edu [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)

2014-09-01

A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

Diffraction and microscopy with attosecond electron pulse trains

Science.gov (United States)

Morimoto, Yuya; Baum, Peter

2018-03-01

Attosecond spectroscopy1-7 can resolve electronic processes directly in time, but a movie-like space-time recording is impeded by the too long wavelength ( 100 times larger than atomic distances) or the source-sample entanglement in re-collision techniques8-11. Here we advance attosecond metrology to picometre wavelength and sub-atomic resolution by using free-space electrons instead of higher-harmonic photons1-7 or re-colliding wavepackets8-11. A beam of 70-keV electrons at 4.5-pm de Broglie wavelength is modulated by the electric field of laser cycles into a sequence of electron pulses with sub-optical-cycle duration. Time-resolved diffraction from crystalline silicon reveals a propagates in space and time. This unification of attosecond science with electron microscopy and diffraction enables space-time imaging of light-driven processes in the entire range of sample morphologies that electron microscopy can access.

(U) Estimating the Photonics Budget, Resolution, and Signal Requirements for a Multi-Monochromatic X-ray Imager

Energy Technology Data Exchange (ETDEWEB)

Tregillis, Ian Lee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-09-22

This document examines the performance of a generic flat-mirror multimonochromatic imager (MMI), with special emphasis on existing instruments at NIF and Omega. We begin by deriving the standard equation for the mean number of photons detected per resolution element. The pinhole energy bandwidth is a contributing factor; this is dominated by the finite size of the source and may be considerable. The most common method for estimating the spatial resolution of such a system (quadrature addition) is, technically, mathematically invalid for this case. However, under the proper circumstances it may produce good estimates compared to a rigorous calculation based on the convolution of point-spread functions. Diffraction is an important contribution to the spatial resolution. Common approximations based on Fraunhofer (farfield) diffraction may be inappropriate and misleading, as the instrument may reside in multiple regimes depending upon its configuration or the energy of interest. It is crucial to identify the correct diffraction regime; Fraunhofer and Fresnel (near-field) diffraction profiles are substantially different, the latter being considerably wider. Finally, we combine the photonics and resolution analyses to derive an expression for the minimum signal level such that the resulting images are not dominated by photon statistics. This analysis is consistent with observed performance of the NIF MMI.

Synchrotron diffraction characterization of nanostructured KY3F10:Tb

International Nuclear Information System (INIS)

Ichikawa, Rodrigo U.; Teixeira, Maria I.; Ranieri, Izilda M.; Martinez, Luis G.; Linhares, Horacio M.S.M.D.; Turrillas, Xavier

2015-01-01

Nanostructured rare-earth fluorides materials are being intensively studied recently due to their potential applications in high-dose dosimetry. Particularly, nanostructured Tb-doped KY 3 F 10 has shown satisfactory results to be used in this area. In the present work, the structure and microstructure of KY 3 F 10 :Tb was investigated by means of X-ray synchrotron diffraction. One of the samples was analyzed as synthesized and another after a heat treatment. Rietveld refinement of synchrotron diffraction data was applied to obtain cell parameters, atomic positions and atomic displacement factors and the results were compared to values found in literature. X-ray line profile analysis methods were applied to determine mean crystallite sizes and their distribution. (author)

Diffraction dissociation and elastic scattering

International Nuclear Information System (INIS)

Verebryusov, V.S.; Ponomarev, L.A.; Smorodinskaya, N.Ya.

1987-01-01

In the framework of Regge scheme with supercritical pomeron a model is suggested for the NN-scattering amplitude which takes into account the contribution introduced to the intermediate state by diffraction dissociation (DD) processes. The DD amplitude is written in terms of the Deck model which has been previously applied to describing the main DD features. The calculated NN cross sections are compared with those obtained experimentally. Theoretical predictions for higher energy are presented

MAX: Development of a Laue diffraction lens for nuclear astrophysics

International Nuclear Information System (INIS)

Barriere, N.; Ballmoos, P. von; Skinner, G.; Smither, B.; Bastie, P.; Hinglais, E.; Abrosimov, N.; Alvarez, J.M.; Andersen, K.; Courtois, P.; Halloin, H.; Harris, M.; Isern, J.; Jean, P.; Knoedlseder, J.; Ubertini, P.; Vedrenne, G.; Weidenspointner, G.; Wunderer, C.

2006-01-01

The next generation of instrumentation for nuclear astrophysics will have to achieve an improvement in sensitivity by a factor of 10-100 over present technologies. With the focusing gamma-ray telescope MAX we take up this challenge and propose to combine the required sensitivity with high spectral and angular resolution, and the capability to measure the polarization of the photons. MAX is a space-borne crystal diffraction telescope, featuring a broad-band Laue lens optimized for the observation of compact sources in two wide energy bands of high astrophysical relevance. Gamma rays will be focused from the large collecting area of a crystal diffraction lens onto a very small detector volume. As a consequence, the signal to background ratio is greatly enhanced, leading to unprecedented sensitivities

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

Energy Technology Data Exchange (ETDEWEB)

Tanaka, Masahiko, E-mail: masahiko@spring8.or.jp; Katsuya, Yoshio, E-mail: katsuya@spring8.or.jp; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

2016-07-27

Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe{sub 2}O{sub 4} (inverse spinel structure) using X-rays near Fe K absorption edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe{sub 2}O{sub 4} crystal structure.

Wavevector and energy resolution of the polarized diffuse scattering spectrometer D7

Energy Technology Data Exchange (ETDEWEB)

Fennell, T., E-mail: tom.fennell@psi.ch [Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Mangin-Thro, L., E-mail: mangin-throl@ill.fr [Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156 - 38042 Grenoble Cedex 9 (France); Mutka, H., E-mail: mutka@ill.fr [Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156 - 38042 Grenoble Cedex 9 (France); Nilsen, G.J., E-mail: goran.nilsen@stfc.ac.uk [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Wildes, A.R., E-mail: wildes@ill.fr [Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156 - 38042 Grenoble Cedex 9 (France)

2017-06-11

The instrumental divergence parameters and resolution for the D7 neutron diffuse scattering spectrometer at the Institut Laue-Langevin, France, are presented. The resolution parameters are calibrated against measurements of powders, single crystals, and the incoherent scattering from vanadium. We find that the powder diffraction resolution is well described by the Cagliotti function, the single crystal resolution function can be parameterized using the Cooper-Nathans formalism, and that in time-of-flight mode the energy resolution is consistent with monochromatic focussing.

Dose-dependent high-resolution electron ptychography

International Nuclear Information System (INIS)

D'Alfonso, A. J.; Allen, L. J.; Sawada, H.; Kirkland, A. I.

2016-01-01

Recent reports of electron ptychography at atomic resolution have ushered in a new era of coherent diffractive imaging in the context of electron microscopy. We report and discuss electron ptychography under variable electron dose conditions, exploring the prospects of an approach which has considerable potential for imaging where low dose is needed

Report of the Working Group on Diffractive Phenomena

International Nuclear Information System (INIS)

Bartel, W.; Bartels, J.W.

1994-01-01

The discussions in the working group on diffractive processes were structured according to a scheme, in which first the experimental basis was specified followed by a presentation of theoretical papers and a general exchange of views on diffractive phenomena. Since diffraction is observed in many different channels, a common session was organised with participants from other working groups, in particular from the photoproduction and DIS community. A total of about 20 individual contributions were presented including those of the common discussion. Not all of them will be included in the proceedings. Some speakers had contributions to different sessions and submitted only one summary paper, others presented ideas for future analysis and are still working and others were too busy to finish the write up before the deadline. Diffractive phenomena observed at HERA were presented by T. Greenshaw of H1 and T. Docker from the ZEUS collaboration. The DO results on diffraction may be looked up in G. Forden's contribution to the proceedings. Further experimental results relevant to the topic ran be found in papers by M. Costa and S. Levonian issued in the photoproduction subsection. Experimentally it is not always easy to identify diffractive processes because pion and ordinary Regge exchange contributions are also present. This question is addressed in G. Levman's paper. New ideas to exploit a similarity between gluon - and Pomeron exchange were discussed by H. Kowalski, and G. Knies proposed a thrust analysis for diffractive events. In both cases work is going on which is not yet ready for a publication. (i. Ingelman reviewed existing Mt. Carlo programs on diffractive processes like POMPYT, RAPGAP and a program based on the Nikolaev - Zakharov approach to diffraction. These programs are well documented and need no further description in these proceedings. The same argument applies to V. Fadins talk, who reviewed published results on higher order corrections to the BFKL

Purification, crystallization and preliminary X-ray diffraction analysis of human Gadd45γ

International Nuclear Information System (INIS)

Zhang, Wenzheng; Zhao, Mingzhuo; Li, Jianhui; Li, Xuemei; Zeng, ZongHao; Rao, Zihe

2008-01-01

The human Gadd45γ protein has been crystallized as a prelude towards determination of its three-dimensional structure by X-ray crystallography. Gadd45, MyD118 and CR6 (also termed Gadd45α, Gadd45β and Gadd45γ, respectively) comprise a family of proteins that play important roles in negative growth control, maintenance of genomic stability, DNA repair, cell-cycle control and apoptosis. Recombinant human Gadd45γ and its selenomethionine derivative were expressed in an Escherichia coli expression system and purified; they were then crystallized using the hanging-drop vapour-diffusion method. Diffraction-quality crystals were grown at 291 K using PEG 3350 as precipitant. Using synchrotron radiation, the best diffraction data were collected to 2.3 Å resolution for native crystals at 100 K; selenomethionyl derivative data were collected to 3.3 Å resolution. All the crystals belonged to space group I2 1 3, with approximate unit-cell parameters a = b = c = 126 Å

Single shot diffraction of picosecond 8.7-keV x-ray pulses

Directory of Open Access Journals (Sweden)

F. H. O’Shea

2012-02-01

Full Text Available We demonstrate multiphoton, single shot diffraction images of x rays produced by inverse Compton scattering a high-power CO_{2} laser from a relativistic electron beam, creating a pulse of 8.7 keV x rays. The tightly focused, relatively high peak brightness electron beam and high photon density from the 2 J CO_{2} laser yielded 6×10^{7} x-ray photons over the full opening angle in a single shot. Single shot x-ray diffraction is performed by passing the x rays though a vertical slit and on to a flat silicon (111 crystal. 10^{2} diffracted photons were detected. The spectrum of the detected x rays is compared to simulation. The diffraction and detection of 10^{2} x rays is a key step to a more efficient time resolved diagnostic in which the number of observed x rays might reach 10^{4}; enabling a unique, flexible x-ray source as a sub-ps resolution diagnostic for studying the evolution of chemical reactions, lattice deformation and melting, and magnetism.

Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206

International Nuclear Information System (INIS)

Liang, Yu; Choo, Siew Hua; Rossbach, Michael; Baburajendran, Nithya; Palasingam, Paaventhan; Kolatkar, Prasanna R

2012-01-01

Crystals of the SCAN domain of Zfp206 are tetragonal, belonging to space group I422 with unit-cell parameters a = 67.57, c = 87.54 Å and one molecule in the asymmetric unit, and diffract to 1.85 Å resolution. Zfp206 (also named Zscan10) is a transcription factor that plays an important role in maintaining the pluripotent state of embryonic stem cells. Zfp206 is a member of the SCAN-domain family of C 2 H 2 zinc-finger transcription factors. The SCAN domain is a highly conserved motif of 84 residues which mediates the self-association of and heterodimerization between SCAN-domain family transcription factors. The SCAN domain may therefore be the key to the selective oligomerization of and may combinatorially enhance the regulatory versatility of C 2 H 2 zinc fingers. This paper describes crystallization attempts with the SCAN domain of Zfp206 (Zfp206SCAN) and optimization strategies to obtain diffraction-quality crystals. The best diffracting crystal was grown in a solution consisting of 0.3 M ammonium sulfate, 0.1 M Tris–HCl pH 8.6, 25% PEG 3350, 0.1 M ethylenediaminetetraacetic acid disodium salt dehydrate (EDTA) using the hanging-drop vapour-diffusion technique. Optimized crystals diffracted to 1.85 Å resolution and belonged to space group I422, with unit-cell parameters a = 67.57, c = 87.54 Å. A Matthews analysis indicated the presence of one Zfp206SCAN molecule per asymmetric unit

Precision crystal alignment for high-resolution electron microscope imaging

International Nuclear Information System (INIS)

Wood, G.J.; Beeching, M.J.

1990-01-01

One of the more difficult tasks involved in obtaining quality high-resolution electron micrographs is the precise alignment of a specimen into the required zone. The current accepted procedure, which involves changing to diffraction mode and searching for symmetric point diffraction pattern, is insensitive to small amounts of misalignment and at best qualitative. On-line analysis of the fourier space representation of the image, both for determining and correcting crystal tilt, is investigated. 8 refs., 42 figs

Dynamic microscale temperature gradient in a gold nanorod solution measured by diffraction-limited nanothermometry

Energy Technology Data Exchange (ETDEWEB)

Li, Chengmingyue; Gan, Xiaosong; Li, Xiangping; Gu, Min, E-mail: mgu@swin.edu.au [Centre for Micro-Photonics, Faculty of Science, Engineering and Technology, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia)

2015-09-21

We quantify the dynamic microscale temperature gradient in a gold nanorod solution using quantum-dot-based microscopic fluorescence nanothermometry. By incorporating CdSe quantum dots into the solution as a nanothermometer, precise temperature mapping with diffraction-limited spatial resolution and sub-degree temperature resolution is achieved. The acquired data on heat generation and dissipation show an excellent agreement with theoretical simulations. This work reveals an effective approach for noninvasive temperature regulation with localized nanoheaters in microfluidic environment.

Energy-weighted dynamical scattering simulations of electron diffraction modalities in the scanning electron microscope.

Science.gov (United States)

Pascal, Elena; Singh, Saransh; Callahan, Patrick G; Hourahine, Ben; Trager-Cowan, Carol; Graef, Marc De

2018-04-01

Transmission Kikuchi diffraction (TKD) has been gaining momentum as a high resolution alternative to electron back-scattered diffraction (EBSD), adding to the existing electron diffraction modalities in the scanning electron microscope (SEM). The image simulation of any of these measurement techniques requires an energy dependent diffraction model for which, in turn, knowledge of electron energies and diffraction distances distributions is required. We identify the sample-detector geometry and the effect of inelastic events on the diffracting electron beam as the important factors to be considered when predicting these distributions. However, tractable models taking into account inelastic scattering explicitly are lacking. In this study, we expand the Monte Carlo (MC) energy-weighting dynamical simulations models used for EBSD [1] and ECP [2] to the TKD case. We show that the foil thickness in TKD can be used as a means of energy filtering and compare band sharpness in the different modalities. The current model is shown to correctly predict TKD patterns and, through the dictionary indexing approach, to produce higher quality indexed TKD maps than conventional Hough transform approach, especially close to grain boundaries. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Characterisation of microfocused beam for synchrotron powder diffraction using a new X-ray camera

International Nuclear Information System (INIS)

Thomas, C; Potter, J; Tang, C C; Lennie, A R

2012-01-01

The powder diffraction beamline I11, Diamond Light Source, is being continually upgraded as requirements of the user community evolve. Intensities of X-rays from the I11 in-vacuum electron undulator in the 3 GeV synchrotron fall off at higher energies. By focusing higher energy X-rays, we can overcome flux limitations, and open up new diffraction experiments. Here, we describe characterisation of microfocusing using compound refractive lenses (CRL). For a relatively modest outlay, we have developed an experimental setup and a novel X-ray camera with good sensitivity and a resolution specification suitable for characterising these focusing optics. We show that vertical oscillations in the focused beam compromise resolution of the source imaged by the CRL. Nevertheless, we have measured CRL focusing properties, and demonstrate the use of energy scanning to determine lens alignment. Real benefits of the intensity gain are illustrated.

Crystallization and preliminary X-ray diffraction studies of l-rhamnose isomerase from Pseudomonas stutzeri

International Nuclear Information System (INIS)

Yoshida, Hiromi; Wayoon, Poonperm; Takada, Goro; Izumori, Ken; Kamitori, Shigehiro

2006-01-01

Recombinant l-rhamnose isomerase from P. stutzeri has been crystallized. Diffraction data have been collected to 2.0 Å resolution. l-Rhamnose isomerase from Pseudomonas stutzeri (P. stutzeril-RhI) catalyzes not only the reversible isomerization of l-rhamnose to l-rhamnulose, but also isomerization between various rare aldoses and ketoses. Purified His-tagged P. stutzeril-RhI was crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the monoclinic space group P2 1 , with unit-cell parameters a = 74.3, b = 104.0, c = 107.0 Å, β = 106.8°. Diffraction data have been collected to 2.0 Å resolution. The molecular weight of the purified P. stutzeril-RhI with a His tag at the C-terminus was confirmed to be 47.7 kDa by MALDI–TOF mass-spectrometric analysis and the asymmetric unit is expected to contain four molecules

X-Ray Diffraction Project Final Report, Fiscal Year 2006

International Nuclear Information System (INIS)

Dane V. Morgan

2006-01-01

An x-ray diffraction diagnostic system was developed for determining real-time shock-driven lattice parameter shifts in single crystals at the gas gun at TA-IV at Sandia National Laboratories (SNL). The signal-to-noise ratio and resolution of the system were measured using imaging plates as the detector and by varying the slit width. This report includes tests of the x-ray diffraction system using a phosphor coupled to a charge-coupled device (CCD) camera by a coherent fiber-optic bundle. The system timing delay was measured with a newly installed transistor-transistor logic (TTL) bypass designed to reduce the x-ray delay time. The axial misalignment of the Bragg planes was determined with respect to the optical axis for a set of eight LiF [lithium fluoride] crystals provided by SNL to determine their suitability for gas gun experiments

Production, purification, crystallization and preliminary X-ray diffraction studies of the nucleoside diphosphate kinase b from Leishmania major

International Nuclear Information System (INIS)

Tonoli, Celisa Caldana Costa; Vieira, Plinio Salmazo; Ward, Richard John; Arni, Raghuvir Krishnaswamy; Oliveira, Arthur Henrique Cavalcante de; Murakami, Mario Tyago

2009-01-01

Overexpression, purification, crystallization and preliminary X-ray diffraction analysis of the nucleoside diphosphate kinase b from Leishmania major are reported. The crystals belonged to the trigonal space group P3 2 21 and diffracted to 2.18 Å resolution. Nucleoside diphosphate kinases (NDKs; EC 2.7.4.6) play an essential role in the synthesis of nucleotides from intermediates in the salvage pathway in all parasitic trypanosomatids and their structural studies will be instrumental in shedding light on the biochemical machinery involved in the parasite life cycle and host–parasite interactions. In this work, NDKb from Leishmania major was overexpressed in Escherichia coli, purified to homogeneity and crystallized using the sitting-drop vapour-diffusion method. The NDK crystal diffracted to 2.2 Å resolution and belonged to the trigonal crystal system, with unit-cell parameters a = 114.2, c = 93.9 Å. Translation-function calculations yielded an unambiguous solution in the enantiomorphic space group P3 2 21

The geometrical theory of diffraction for axially symmetric reflectors

DEFF Research Database (Denmark)

Rusch, W.; Sørensen, O.

1975-01-01

The geometrical theory of diffraction (GTD) (cf. [1], for example) may be applied advantageously to many axially symmetric reflector antenna geometries. The material in this communication presents analytical, computational, and experimental results for commonly encountered reflector geometries...

High resolution diffraction imaging of mercuric iodide: Demonstration of the necessity for alternate crystal processing techniques for highly purified material

International Nuclear Information System (INIS)

Steiner, B.; Berg, L. van den; Laor, U.

1995-01-01

The overall crystalline lattice uniformity in recently available, highly purified mercuric iodide single crystals has been shown to be impacted by crystal handling techniques that were previously satisfactory. High resolution diffraction imaging of the surface regularity of crystals of various levels of purity and growth orientation shows: (1) that the newer materials have a generally lower level of precipitates, (2) that the incidence of these precipitates is now closely correlated with growth direction, and (3) that the deformation resistance and resulting sensitivity to crystal handling procedures are also closely correlated with these factors in this soft material. As a result, gentler cutting and polishing procedures have been developed and are shown to be effective in preserving overall lattice regularity in the new material. The polishing required to remove residual surface scratches affect the lattice orientation of the softer, precipitate-free regions, while not affecting those regions with detectable levels of precipitates. These results correlate closely with the electrical properties of devices made from these crystals. Mercuric iodide single crystals have proved to be particularly useful for x and γ ray detectors because their room temperature operation allow for simple, efficient, and compact instrumentation

Diamond Thermal Expansion Measurement Using Transmitted X-ray Back-diffraction.

OpenAIRE

Giles, Carlos; Adriano, Cris; Lubambo, Adriana Freire; Cusatis, Cesar; Mazzaro, Irineu; Hönnicke, Marcelo Goncalves

2015-01-01

The linear thermal expansion coefficient of diamond has been measured using forward-diffracted profiles in X-ray backscattering. This experimental technique is presented as an alternative way of measuring thermal expansion coefficients of solids in the high-resolution Bragg backscattering geometry without the intrinsic difficulty of detecting the reflected beam. The temperature dependence of the lattice parameter is obtained from the high sensitivity of the transmitted profiles to the Bragg a...

Crystallization and diffraction analysis of the serpin IRS-2 from the hard tick Ixodes ricinus

International Nuclear Information System (INIS)

Kovářová, Zuzana; Chmelař, Jindřich; Šanda, Miloslav; Brynda, Jiří; Mareš, Michael; Řezáčová, Pavlína

2010-01-01

Cleavage of the serpin IRS-2 from the hard tick I. ricinus by contaminating proteolytic activity mimicked the specific processing of the serpin by its target protease and resulted in a more stable form of the serpin which produced crystals that diffracted to 1.8 Å resolution. IRS-2 from the hard tick Ixodes ricinus belongs to the serpin family of protease inhibitors. It is produced in the salivary glands of the tick and its anti-inflammatory activity suggests that it plays a role in parasite–host interaction. Recombinant IRS-2 prepared by heterologous expression in a bacterial system was crystallized using the hanging-drop vapour-diffusion method. The crystals belonged to the primitive tetragonal space group P4 3 and diffracted to 1.8 Å resolution. Mass-spectrometric and electrophoretic analyses revealed that IRS-2 was cleaved by contaminating proteases during crystallization. This processing of IRS-2 mimicked the specific cleavage of the serpin by its target protease and resulted in a more stable form (the so-called relaxed conformation), which produced well diffracting crystals. Activity profiling with specific substrates and inhibitors demonstrated traces of serine and cysteine proteases in the protein stock solution

Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of SAICAR synthase from Streptococcus suis serotype 2

International Nuclear Information System (INIS)

Cheng, Xia; Lu, Guangwen; Qi, Jianxun; Cheng, Hao; Gao, Feng; Wang, Jundong; Yan, Jinghua

2010-01-01

Crystals of SAICAR synthase from S. suis serotype 2 were obtained in the presence of 40 mM aspartic acid substrate; they belonged to space group P2 and diffracted to 2.8 Å resolution. Phosphoribosylaminoimidazole-succinocarboxamide synthase (SAICAR synthase) plays an essential role in the de novo biosynthesis of purine nucleotides. In this study, the SAICAR synthase from Streptococcus suis was cloned and overexpressed in Escherichia coli. The subsequent product was purified and crystallized using the hanging-drop vapour-diffusion method. The crystals diffracted to 2.8 Å resolution and belonged to space group P2, with unit-cell parameters a = 70.2, b = 52.2, c = 153.9 Å, β = 102.8°

Generalized diffraction-stack migration and filtering of coherent noise

KAUST Repository

Zhan, Ge

2014-01-27

We reformulate the equation of reverse-time migration so that it can be interpreted as summing data along a series of hyperbola-like curves, each one representing a different type of event such as a reflection or multiple. This is a generalization of the familiar diffraction-stack migration algorithm where the migration image at a point is computed by the sum of trace amplitudes along an appropriate hyperbola-like curve. Instead of summing along the curve associated with the primary reflection, the sum is over all scattering events and so this method is named generalized diffraction-stack migration. This formulation leads to filters that can be applied to the generalized diffraction-stack migration operator to mitigate coherent migration artefacts due to, e.g., crosstalk and aliasing. Results with both synthetic and field data show that generalized diffraction-stack migration images have fewer artefacts than those computed by the standard reverse-time migration algorithm. The main drawback is that generalized diffraction-stack migration is much more memory intensive and I/O limited than the standard reverse-time migration method. © 2014 European Association of Geoscientists & Engineers.

At-wavelength interferometry of high-NA diffraction-limited EUV optics

International Nuclear Information System (INIS)

Goldberg, Kenneth A.; Naulleau, Patrick; Rekawa, Senajith; Denham, Paul; Liddle, J. Alexander; Anderson, Erik; Jackson, Keith; Bokor, Jeffrey; Attwood, David

2003-01-01

Recent advances in all-reflective diffraction-limited optical systems designed for extreme ultraviolet (EUV) lithography have pushed numerical aperture (NA) values from 0.1 to 0.3, providing Rayleigh resolutions of 27-nm. Worldwide, several high-NA EUV optics are being deployed to serve in the development of advanced lithographic techniques required for EUV lithography, including the creation and testing of new, high-resolution photoresists. One such system is installed on an undulator beamline at Lawrence Berkeley National Laboratory's Advanced Light Source. Sub(angstrom)-accuracy optical testing and alignment techniques, developed for use with the previous generations of EUV lithographic optical systems, are being extended for use at high NA. Considerations for interferometer design and use are discussed

Purification, crystallization and preliminary X-ray diffraction study of human ribosomal protein L10 core domain

International Nuclear Information System (INIS)

Nishimura, Mitsuhiro; Kaminishi, Tatsuya; Kawazoe, Masahito; Shirouzu, Mikako; Takemoto, Chie; Yokoyama, Shigeyuki; Tanaka, Akiko; Sugano, Sumio; Yoshida, Takuya; Ohkubo, Tadayasu; Kobayashi, Yuji

2007-01-01

A truncated variant of human ribosomal protien L10 was prepared and crystallized. Diffraction data were collected to 2.5 Å resolution. Eukaryotic ribosomal protein L10 is an essential component of the large ribosomal subunit, which organizes the architecture of the aminoacyl-tRNA binding site. The human L10 protein is also called the QM protein and consists of 214 amino-acid residues. For crystallization, the L10 core domain (L10CD, Phe34–Glu182) was recombinantly expressed in Escherichia coli and purified to homogeneity. A hexagonal crystal of L10CD was obtained by the sitting-drop vapour-diffusion method. The L10CD crystal diffracted to 2.5 Å resolution and belongs to space group P3 1 21 or P3 2 21

Neutron diffraction potentialities at the IBR-2 pulsed reactor for nondestructive testing of structural materials

International Nuclear Information System (INIS)

Balagurov, A.M.; Bokuchava, G.D.; Papushkin, I.V.; Sumin, V.V.; Venter, A.M.

2010-01-01

Neutron diffraction is widely used for investigations of residual and applied stresses in bulk materials and components. The most important factor in these investigations is the high penetration depth of neutrons (up to 2 cm for steel). At the IBR-2 pulsed reactor in Dubna the Fourier stress diffractometer (FSD) has been constructed to optimize the internal stress measurements. The FSD design satisfies the requirements of high luminosity, high resolution and specific sample environment. The collimator system guarantees a minimum gauge volume of 2x2x2 mm. A mechanical testing machine allows in-situ tension or compression measurements up to a load of 20 kN and sample temperatures up to 800 deg C. In the paper the current status of FSD is reported and potentialities are demonstrated with several examples of investigations performed

Improved crystallization and diffraction of caffeine-induced death suppressor protein 1 (Cid1)

Energy Technology Data Exchange (ETDEWEB)

Yates, Luke A., E-mail: luke@strubi.ox.ac.uk; Durrant, Benjamin P.; Barber, Michael; Harlos, Karl [University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Fleurdépine, Sophie; Norbury, Chris J. [University of Oxford, South Parks Road, Oxford OX1 3RE (United Kingdom); Gilbert, Robert J. C., E-mail: luke@strubi.ox.ac.uk [University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom)

2015-02-21

The use of truncation and RNA-binding mutations of caffeine induced death suppressor protein 1 (Cid1) as a means to enhance crystallogenesis leading to an improvement of X-ray diffraction resolution by 1.5 Å is reported. The post-transcriptional addition of uridines to the 3′-end of RNAs is an important regulatory process that is critical for coding and noncoding RNA stability. In fission yeast and metazoans this untemplated 3′-uridylylation is catalysed by a single family of terminal uridylyltransferases (TUTs) whose members are adapted to specific RNA targets. In Schizosaccharomyces pombe the TUT Cid1 is responsible for the uridylylation of polyadenylated mRNAs, targeting them for destruction. In metazoans, the Cid1 orthologues ZCCHC6 and ZCCHC11 uridylate histone mRNAs, targeting them for degradation, but also uridylate microRNAs, altering their maturation. Cid1 has been studied as a model TUT that has provided insights into the larger and more complex metazoan enzyme system. In this paper, two strategies are described that led to improvements both in the crystallogenesis of Cid1 and in the resolution of diffraction by ∼1.5 Å. These advances have allowed high-resolution crystallo@@graphic studies of this TUT system to be initiated.

Improved crystallization and diffraction of caffeine-induced death suppressor protein 1 (Cid1)

International Nuclear Information System (INIS)

Yates, Luke A.; Durrant, Benjamin P.; Barber, Michael; Harlos, Karl; Fleurdépine, Sophie; Norbury, Chris J.; Gilbert, Robert J. C.

2015-01-01

The use of truncation and RNA-binding mutations of caffeine induced death suppressor protein 1 (Cid1) as a means to enhance crystallogenesis leading to an improvement of X-ray diffraction resolution by 1.5 Å is reported. The post-transcriptional addition of uridines to the 3′-end of RNAs is an important regulatory process that is critical for coding and noncoding RNA stability. In fission yeast and metazoans this untemplated 3′-uridylylation is catalysed by a single family of terminal uridylyltransferases (TUTs) whose members are adapted to specific RNA targets. In Schizosaccharomyces pombe the TUT Cid1 is responsible for the uridylylation of polyadenylated mRNAs, targeting them for destruction. In metazoans, the Cid1 orthologues ZCCHC6 and ZCCHC11 uridylate histone mRNAs, targeting them for degradation, but also uridylate microRNAs, altering their maturation. Cid1 has been studied as a model TUT that has provided insights into the larger and more complex metazoan enzyme system. In this paper, two strategies are described that led to improvements both in the crystallogenesis of Cid1 and in the resolution of diffraction by ∼1.5 Å. These advances have allowed high-resolution crystallo@@graphic studies of this TUT system to be initiated

Simulation of high-resolution X-ray microscopic images for improved alignment

International Nuclear Information System (INIS)

Song Xiangxia; Zhang Xiaobo; Liu Gang; Cheng Xianchao; Li Wenjie; Guan Yong; Liu Ying; Xiong Ying; Tian Yangchao

2011-01-01

The introduction of precision optical elements to X-ray microscopes necessitates fine realignment to achieve optimal high-resolution imaging. In this paper, we demonstrate a numerical method for simulating image formation that facilitates alignment of the source, condenser, objective lens, and CCD camera. This algorithm, based on ray-tracing and Rayleigh-Sommerfeld diffraction theory, is applied to simulate the X-ray microscope beamline U7A of National Synchrotron Radiation Laboratory (NSRL). The simulations and imaging experiments show that the algorithm is useful for guiding experimental adjustments. Our alignment simulation method is an essential tool for the transmission X-ray microscope (TXM) with optical elements and may also be useful for the alignment of optical components in other modes of microscopy.

Quantitative multiphase analysis of archaeological bronzes by neutron diffraction

CERN Document Server

Siano, S; Celli, M; Pini, R; Salimbeni, R; Zoppi, M; Kockelmann, W A; Iozzo, M; Miccio, M; Moze, O

2002-01-01

In this paper, we report the first investigation on the potentials of neutron diffraction to characterize archaeological bronze artifacts. The preliminary feasibility of phase and structural analysis was demonstrated on standardised specimens with a typical bronze alloy composition. These were realised through different hardening and annealing cycles, simulating possible ancient working techniques. The Bragg peak widths that resulted were strictly dependent on the working treatment, thus providing an important analytical element to investigate ancient making techniques. The diagnostic criteria developed on the standardised specimens were then applied to study two Etruscan museum pieces. Quantitative multiphase analysis by Rietveld refinement of the diffraction patterns was successfully demonstrated. Furthermore, the analysis of patterns associated with different artifact elements also yielded evidence for some peculiar perspective of the neutron diffraction diagnostics in archeometric applications. (orig.)

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

Energy Technology Data Exchange (ETDEWEB)

Murray, Thomas D. [University of California, Berkeley, CA 94720 (United States); Johns Hopkins University School of Medicine, Baltimore, MD 21205 (United States); Lyubimov, Artem Y. [Stanford University, Stanford, CA 94305 (United States); Ogata, Craig M. [Argonne National Laboratory, Argonne, IL 60439 (United States); Vo, Huy [Johns Hopkins University, Baltimore, MD 21205 (United States); Uervirojnangkoorn, Monarin; Brunger, Axel T., E-mail: brunger@stanford.edu [Stanford University, Stanford, CA 94305 (United States); Berger, James M., E-mail: brunger@stanford.edu [Johns Hopkins University School of Medicine, Baltimore, MD 21205 (United States); University of California, Berkeley, CA 94720 (United States)

2015-09-26

A highly X-ray-transparent, silicon nitride-based device has been designed and fabricated to harvest protein microcrystals for high-resolution X-ray diffraction data collection using microfocus beamlines and XFELs. Microcrystals present a significant impediment to the determination of macromolecular structures by X-ray diffraction methods. Although microfocus synchrotron beamlines and X-ray free-electron lasers (XFELs) can enable the collection of interpretable diffraction data from microcrystals, there is a need for efficient methods of harvesting small volumes (<2 µl) of microcrystals grown under common laboratory formats and delivering them to an X-ray beam source under native growth conditions. One approach that shows promise in overcoming the challenges intrinsic to microcrystal analysis is to pair so-called ‘fixed-target’ sample-delivery devices with microbeam-based X-ray diffraction methods. However, to record weak diffraction patterns it is necessary to fabricate devices from X-ray-transparent materials that minimize background scattering. Presented here is the design of a new micro-diffraction device consisting of three layers fabricated from silicon nitride, photoresist and polyimide film. The chip features low X-ray scattering and X-ray absorption properties, and uses a customizable blend of hydrophobic and hydrophilic surface patterns to help localize microcrystals to defined regions. Microcrystals in their native growth conditions can be loaded into the chips with a standard pipette, allowing data collection at room temperature. Diffraction data collected from hen egg-white lysozyme microcrystals (10–15 µm) loaded into the chips yielded a complete, high-resolution (<1.6 Å) data set sufficient to determine a high-quality structure by molecular replacement. The features of the chip allow the rapid and user-friendly analysis of microcrystals grown under virtually any laboratory format at microfocus synchrotron beamlines and XFELs.

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

International Nuclear Information System (INIS)

Murray, Thomas D.; Lyubimov, Artem Y.; Ogata, Craig M.; Vo, Huy; Uervirojnangkoorn, Monarin; Brunger, Axel T.; Berger, James M.

2015-01-01

A highly X-ray-transparent, silicon nitride-based device has been designed and fabricated to harvest protein microcrystals for high-resolution X-ray diffraction data collection using microfocus beamlines and XFELs. Microcrystals present a significant impediment to the determination of macromolecular structures by X-ray diffraction methods. Although microfocus synchrotron beamlines and X-ray free-electron lasers (XFELs) can enable the collection of interpretable diffraction data from microcrystals, there is a need for efficient methods of harvesting small volumes (<2 µl) of microcrystals grown under common laboratory formats and delivering them to an X-ray beam source under native growth conditions. One approach that shows promise in overcoming the challenges intrinsic to microcrystal analysis is to pair so-called ‘fixed-target’ sample-delivery devices with microbeam-based X-ray diffraction methods. However, to record weak diffraction patterns it is necessary to fabricate devices from X-ray-transparent materials that minimize background scattering. Presented here is the design of a new micro-diffraction device consisting of three layers fabricated from silicon nitride, photoresist and polyimide film. The chip features low X-ray scattering and X-ray absorption properties, and uses a customizable blend of hydrophobic and hydrophilic surface patterns to help localize microcrystals to defined regions. Microcrystals in their native growth conditions can be loaded into the chips with a standard pipette, allowing data collection at room temperature. Diffraction data collected from hen egg-white lysozyme microcrystals (10–15 µm) loaded into the chips yielded a complete, high-resolution (<1.6 Å) data set sufficient to determine a high-quality structure by molecular replacement. The features of the chip allow the rapid and user-friendly analysis of microcrystals grown under virtually any laboratory format at microfocus synchrotron beamlines and XFELs

Restoration and Super-Resolution of Diffraction-Limited Imagery Data by Bayesian and Set-Theoretic Approaches

National Research Council Canada - National Science Library

Sundareshan, Malur

2001-01-01

This project was primarily aimed at the design of novel algorithms for the restoration and super-resolution processing of imagery data to improve the resolution in images acquired from practical sensing operations...

Residual stress measurement with focused acoustic waves and direct comparison with X-ray diffraction stress measurements

International Nuclear Information System (INIS)

Sathish, Shamachary; Moran, Thomas J.; Martin, Richard W.; Reibel, Richard

2005-01-01

The technique of measuring small changes in acoustic wave velocity due to external or internal stress has been used for quantitative determination of residual stress in materials during the last decade. Application of similar methodology with focused acoustic waves leads to residual stress measurement with spatial resolution of a few millimeters to a few microns. The high spatial resolution residual stress measurement required development of new methodologies in both the design of acoustic lenses and the instrumentation for acoustic wave velocity determination. This paper presents two new methodologies developed for the measurement of residual stress with spatial resolution of a few millimeters. The design of new type of acoustic lens for achieving higher spatial resolution in residual stress measurement is introduced. Development of instrumentation for high precision local surface wave velocity measurement will be presented. Residual stresses measured around a crack tip in a sample of Ti-6A1-4V using a focused beam will be compared with X-ray diffraction measurements performed on the same region of the sample. Results of residual stress measurements along a direction perpendicular to the electron beam weld in a sample of Ti-6A1-4V, determined using focused acoustic waves and X-ray diffraction technique, are also presented. The spatial resolution and penetration depth of X-rays and focused acoustic beams with reference to residual stress measurements are discussed

Application of a particular class of integrals in the theory of diffraction

Energy Technology Data Exchange (ETDEWEB)

Kamishi, Burim, E-mail: burim.kamishi@uni-pr.edu; Bejtullahu, Rasim [Faculty of Natural Sciences and Mathematics, University of Prishtina, Prishtina, Kosovo (Country Unknown); Sykja, Halil [Faculty of Natural Sciences, University of Tirana, Tirana (Albania)

2016-03-25

A particular class of integrals appearing in the problems of diffraction is treated in this paper. For the analysis of the classical sources or lasers, Kirchhoff’s integral can be used only for apertures of a determined shape. So far, the problems are solved and analyzed completely, whenever the geomtry of apertures creates the possibility of using Kirchhoff’s integral, namely for the so-called geometry of rectangular apertures. Other apertures exist for which Kirchhoff’s integral cannot be applied, because of difficulties of mathematical character. In this group of apertures belong all the apertures which are bounded with an inclined line, such as those with triangular form. In this paper, the application of a particular class of integrals is shown to give satisfying results in two problems of diffraction theory: double-diffraction phenomena consisting on separating the interferential-diffractional field from the diffractional field, and the case of near-zone of diffraction in the triangular aperture.

Low-kilovolt coherent electron diffractive imaging instrument based on a single-atom electron source

Energy Technology Data Exchange (ETDEWEB)

Lin, Chun-Yueh [Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Chang, Wei-Tse; Chen, Yi-Sheng; Hwu, En-Te; Chang, Chia-Seng; Hwang, Ing-Shouh, E-mail: ishwang@phys.sinica.edu.tw [Institute of Physics, Academia Sinica, Nankang, Taipei 11529, Taiwan (China); Hsu, Wei-Hao [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

2016-03-15

In this work, a transmission-type, low-kilovolt coherent electron diffractive imaging instrument was constructed. It comprised a single-atom field emitter, a triple-element electrostatic lens, a sample holder, and a retractable delay line detector to record the diffraction patterns at different positions behind the sample. It was designed to image materials thinner than 3 nm. The authors analyzed the asymmetric triple-element electrostatic lens for focusing the electron beams and achieved a focused beam spot of 87 nm on the sample plane at the electron energy of 2 kV. High-angle coherent diffraction patterns of a suspended graphene sample corresponding to (0.62 Å){sup −1} were recorded. This work demonstrated the potential of coherent diffractive imaging of thin two-dimensional materials, biological molecules, and nano-objects at a voltage between 1 and 10 kV. The ultimate goal of this instrument is to achieve atomic resolution of these materials with high contrast and little radiation damage.

Preliminary small-angle X-ray scattering and X-ray diffraction studies of the BTB domain of lola protein from Drosophila melanogaster

Science.gov (United States)

Boyko, K. M.; Nikolaeva, A. Yu.; Kachalova, G. S.; Bonchuk, A. N.; Dorovatovskii, P. V.; Popov, V. O.

2017-11-01

The Drosophila genome has several dozens of transcription factors (TTK group) containing BTB domains assembled into octamers. The LOLA protein belongs to this family. The purification, crystallization, and preliminary X-ray diffraction and small-angle X-ray scattering (SAXS) studies of the BTB domain of this protein are reported. The crystallization conditions were found by the vapor-diffusion technique. A very low diffraction resolution (8.7 Å resolution) of the crystals was insufficient for the determination of the threedimensional structure of the BTB domain. The SAXS study demonstrated that the BTB domain of the LOLA protein exists as an octamer in solution.

X-ray nanoprobes and diffraction-limited storage rings: opportunities and challenges of fluorescence tomography of biological specimens

Energy Technology Data Exchange (ETDEWEB)

Jonge, Martin D. de, E-mail: martin.dejonge@synchrotron.org.au [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia); Ryan, Christopher G. [CSIRO Earth Science and Research Engineering, Clayton, Victoria 3168 (Australia); Jacobsen, Chris J. [Advanced Photon Source, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Department of Physics, Chemistry of Life Processes Institute, Northwestern University, 2170 Campus Drive, Evanston, IL 60208 (United States); Chemistry of Life Processes Institute, Northwestern University, 2170 Campus Drive, Evanston, IL 60208 (United States)

2014-08-27

Nanoscale X-ray scanning microscopes, or X-ray nanoprobes, will benefit greatly from diffraction-limited storage rings. Here the requirements for nanoscale fluorescence tomography are explored to gain insight into the scientific opportunities and technical challenges that such sources offer. X-ray nanoprobes require coherent illumination to achieve optic-limited resolution, and so will benefit directly from diffraction-limited storage rings. Here, the example of high-resolution X-ray fluorescence tomography is focused on as one of the most voracious demanders of coherent photons, since the detected signal is only a small fraction of the incident flux. Alternative schemes are considered for beam delivery, sample scanning and detectors. One must consider as well the steps before and after the X-ray experiment: sample preparation and examination conditions, and analysis complexity due to minimum dose requirements and self-absorption. By understanding the requirements and opportunities for nanoscale fluorescence tomography, one gains insight into the R&D challenges in optics and instrumentation needed to fully exploit the source advances that diffraction-limited storage rings offer.

Crystallization and X-ray diffraction analysis of SpaE, a basal pilus protein from the gut-adapted Lactobacillus rhamnosus GG.

Science.gov (United States)

Mishra, Arjun K; Megta, Abhin Kumar; Palva, Airi; von Ossowski, Ingemar; Krishnan, Vengadesan

2017-06-01

SpaE is the predicted basal pilin subunit in the sortase-dependent SpaFED pilus from the gut-adapted and commensal Lactobacillus rhamnosus GG. Thus far, structural characterization of the cell-wall-anchoring basal pilins has remained difficult and has been limited to only a few examples from pathogenic genera and species. To gain a further structural understanding of the molecular mechanisms that are involved in the anchoring and assembly of sortase-dependent pili in less harmful bacteria, L. rhamnosus GG SpaE for crystallization was produced by recombinant expression in Escherichia coli. Although several attempts to crystallize the SpaE protein were unsuccessful, trigonal crystals that diffracted to a resolution of 3.1 Å were eventually produced using PEG 3350 as a precipitant and high protein concentrations. Further optimization with a combination of additives led to the generation of SpaE crystals in an orthorhombic form that diffracted to a higher resolution of 1.5 Å. To expedite structure determination by SAD phasing, selenium-substituted (orthorhombic) SpaE crystals were grown and X-ray diffraction data were collected to 1.8 Å resolution.

Nonlinear super-resolution nano-optics and applications

CERN Document Server

Wei, Jingsong

2015-01-01

This book covers many advances in the subjects of nano-optics and nano photonics. The author describes the principle and technical schematics of common methods for breaking through the optical diffraction limit and focuses on realizing optical super-resolution with nonlinear effects of thin film materials. The applications of nonlinear optical super-resolution effects in nano-data storage, nanolithography, and nano-imaging are also presented. This book is useful to graduate students majoring in optics and nano science and also serves as a reference book for academic researchers, engineers, technical professionals in the fields of super-resolution optics and laser techniques, nano-optics and nano photonics, nano-data storage, nano imaging, micro/nanofabrication and nanolithography and nonlinear optics.

Diffractive interactions

International Nuclear Information System (INIS)

Del Duca, V.; Marage, P.

1996-08-01

The general framework of diffractive deep inelastic scattering is introduced and reports given in the session on diffractive interactions at the international workshop on deep-inelastic scattering and related phenomena, Rome, April 1996, are presented. (orig.)

Coherent Diffractive Imaging at LCLS

Science.gov (United States)

Schulz, Joachim

2010-03-01

Soft x-ray FEL light sources produce ultrafast x-ray pulses with outstanding high peak brilliance. This might enable the structure determination of proteins that cannot be crystallized. The deposited energy would destroy the molecules completely, but owing to the short pulses the destruction will ideally only happen after the termination of the pulse. In order to address the many challenges that we face in attempting molecular diffraction, we have carried out experiments in coherent diffraction from protein nanocrystals at the Linac Coherent Light Source (LCLS) at SLAC. The periodicity of these objects gives us much higher scattering signals than uncrystallized proteins would. The crystals are filtered to sizes less than 2 micron, and delivered to the pulsed X-ray beam in a liquid jet. The effects of pulse duration and fluence on the high-resolution structure of the crystals have been studied. Diffraction patterns are recorded at a repetition rate of 30 Hz with pnCCD detectors. This allows us to take 108,000 images per hour. With 2-mega-pixel-detectors this gives a data-rate of more than 400 GB per hour. The automated sorting and evaluation of hundreds of thousands images is another challenge of this kind of experiments. Preliminary results will be presented on our first LCLS experiments. This work was carried out as part of a collaboration, for which Henry Chapman is the spokesperson. The collaboration consists of CFEL DESY, Arizona State University, SLAC, Uppsala University, LLNL, The University of Melbourne, LBNL, the Max Planck Institute for Medical Research, and the Max Planck Advanced Study Group (ASG) at the CFEL. The experiments were carried out using the CAMP apparatus, which was designed and built by the Max Planck ASG at CFEL. The LCLS is operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences.

Structure of molten TbCl sub 3 measured by neutron diffraction

CERN Document Server

Martin, R A; Barnes, A C; Cuello, G J

2002-01-01

The total structure factor of molten TbCl sub 3 at 617 deg. C was measured by using neutron diffraction. The data are in agreement with results from previous experimental work but the use of a diffractometer having an extended reciprocal-space measurement window leads to improved resolution in real space. Significant discrepancies with the results obtained from recent molecular dynamics simulations carried out using a polarizable ion model, in which the interaction potentials were optimized to enhance agreement with previous diffraction data, are thereby highlighted. It is hence shown that there is considerable scope for the development of this model for TbCl sub 3 and for other trivalent metal halide systems spanning a wide range of ion size ratios. (letter to the editor)

Standing surface acoustic waves in LiNbO3 studied by time resolved X-ray diffraction at Petra III

Directory of Open Access Journals (Sweden)

T. Reusch

2013-07-01

Full Text Available We have carried out time resolved stroboscopic diffraction experiments on standing surface acoustic waves (SAWs of Rayleigh type on a LiNbO3 substrate. A novel timing system has been developed and commissioned at the storage ring Petra III of Desy, allowing for phase locked stroboscopic diffraction experiments applicable to a broad range of timescales and experimental conditions. The combination of atomic structural resolution with temporal resolution on the picosecond time scale allows for the observation of the atomistic displacements for each time (or phase point within the SAW period. A seamless transition between dynamical and kinematic scattering regimes as a function of the instantaneous surface amplitude induced by the standing SAW is observed. The interpretation and control of the experiment, in particular disentangling the diffraction effects (kinematic to dynamical diffraction regime from possible non-linear surface effects is unambiguously enabled by the precise control of phase between the standing SAW and the synchrotron bunches. The example illustrates the great flexibility and universality of the presented timing system, opening up new opportunities for a broad range of time resolved experiments.

Subwavelength resolution from multilayered structure (Conference Presentation)

Science.gov (United States)

Cheng, Bo Han; Jen, Yi-Jun; Liu, Wei-Chih; Lin, Shan-wen; Lan, Yung-Chiang; Tsai, Din Ping

2016-10-01

Breaking optical diffraction limit is one of the most important issues needed to be overcome for the demand of high-density optoelectronic components. Here, a multilayered structure which consists of alternating semiconductor and dielectric layers for breaking optical diffraction limitation at THz frequency region are proposed and analyzed. We numerically demonstrate that such multilayered structure not only can act as a hyperbolic metamaterial but also a birefringence material via the control of the external temperature (or magnetic field). A practical approach is provided to control all the diffraction signals toward a specific direction by using transfer matrix method and effective medium theory. Numerical calculations and computer simulation (based on finite element method, FEM) are carried out, which agree well with each other. The temperature (or magnetic field) parameter can be tuned to create an effective material with nearly flat isofrequency feature to transfer (project) all the k-space signals excited from the object to be resolved to the image plane. Furthermore, this multilayered structure can resolve subwavelength structures at various incident THz light sources simultaneously. In addition, the resolution power for a fixed operating frequency also can be tuned by only changing the magnitude of external magnetic field. Such a device provides a practical route for multi-functional material, photolithography and real-time super-resolution image.

Diffraction coherence in optics

CERN Document Server

Françon, M; Green, L L

2013-01-01

Diffraction: Coherence in Optics presents a detailed account of the course on Fraunhofer diffraction phenomena, studied at the Faculty of Science in Paris. The publication first elaborates on Huygens' principle and diffraction phenomena for a monochromatic point source and diffraction by an aperture of simple form. Discussions focus on diffraction at infinity and at a finite distance, simplified expressions for the field, calculation of the path difference, diffraction by a rectangular aperture, narrow slit, and circular aperture, and distribution of luminous flux in the airy spot. The book th

Energy dispersive X-ray diffraction as a means to identify illicit materials: A preliminary optimisation study

Energy Technology Data Exchange (ETDEWEB)

Cook, Emily [Department of Medical Physics and Bioengineering, UCL, London WC1E 6BT (United Kingdom)]. E-mail: ecook@medphys.ucl.ac.uk; Fong, Ruby [Clinical Physics Department, St Bartholomew' s Hospital, London EC1A 7BE (United Kingdom); Horrocks, Julie [Clinical Physics Department, St Bartholomew' s Hospital, London EC1A 7BE (United Kingdom); Wilkinson, David [HOSDB, Woodcock Hill, Sandridge, Herts. AL4 9HQ (United Kingdom); Speller, Robert [Department of Medical Physics and Bioengineering, UCL, London WC1E 6BT (United Kingdom)

2007-08-15

Energy dispersive X-ray diffraction is proposed as a suitable non-destructive method to rapidly identify illicit drugs in parcels. A preliminary data set of 7 illicit drug samples and a possible cutting agent has been collected with a range of count times using a tungsten target X-ray source, a high resolution HpGe detector and a variable geometry diffraction cell. These results have been used to calibrate and train multivariate analysis software to predict the drug content in previously unseen spectra.

Energy dispersive X-ray diffraction as a means to identify illicit materials: A preliminary optimisation study

International Nuclear Information System (INIS)

Cook, Emily; Fong, Ruby; Horrocks, Julie; Wilkinson, David; Speller, Robert

2007-01-01

Energy dispersive X-ray diffraction is proposed as a suitable non-destructive method to rapidly identify illicit drugs in parcels. A preliminary data set of 7 illicit drug samples and a possible cutting agent has been collected with a range of count times using a tungsten target X-ray source, a high resolution HpGe detector and a variable geometry diffraction cell. These results have been used to calibrate and train multivariate analysis software to predict the drug content in previously unseen spectra

Detecting breast microcalcifications using super-resolution and wave-equation ultrasound imaging: a numerical phantom study

Energy Technology Data Exchange (ETDEWEB)

Huang, Lianjie [Los Alamos National Laboratory; Simonetti, Francesco [IMPERIAL COLLEGE LONDON; Huthwaite, Peter [IMPERIAL COLLEGE LONDON; Rosenberg, Robert [UNM; Williamson, Michael [UNM

2010-01-01

Ultrasound image resolution and quality need to be significantly improved for breast microcalcification detection. Super-resolution imaging with the factorization method has recently been developed as a promising tool to break through the resolution limit of conventional imaging. In addition, wave-equation reflection imaging has become an effective method to reduce image speckles by properly handling ultrasound scattering/diffraction from breast heterogeneities during image reconstruction. We explore the capabilities of a novel super-resolution ultrasound imaging method and a wave-equation reflection imaging scheme for detecting breast microcalcifications. Super-resolution imaging uses the singular value decomposition and a factorization scheme to achieve an image resolution that is not possible for conventional ultrasound imaging. Wave-equation reflection imaging employs a solution to the acoustic-wave equation in heterogeneous media to backpropagate ultrasound scattering/diffraction waves to scatters and form images of heterogeneities. We construct numerical breast phantoms using in vivo breast images, and use a finite-difference wave-equation scheme to generate ultrasound data scattered from inclusions that mimic microcalcifications. We demonstrate that microcalcifications can be detected at full spatial resolution using the super-resolution ultrasound imaging and wave-equation reflection imaging methods.

Non-destructive microstructural analysis with depth resolution

Energy Technology Data Exchange (ETDEWEB)

Zolotoyabko, E. E-mail: zloto@tx.technion.ac.il; Quintana, J.P

2003-01-01

A depth-sensitive X-ray diffraction technique has been developed with the aim of studying microstructural modifications in inhomogeneous polycrystalline materials. In that method, diffraction profiles are measured at different X-ray energies varied by small steps. X-rays at higher energies probe deeper layers of material. Depth-resolved structural information is retrieved by comparing energy-dependent diffraction profiles. The method provides non-destructive depth profiling of the preferred orientation, grain size, microstrain fluctuations and residual strains. This technique is applied to the characterization of seashells. Similarly, energy-variable X-ray diffraction can be used for the non-destructive characterization of different laminated structures and composite materials.

High-dynamic-range coherent diffractive imaging: ptychography using the mixed-mode pixel array detector

Energy Technology Data Exchange (ETDEWEB)

Giewekemeyer, Klaus, E-mail: klaus.giewekemeyer@xfel.eu [European XFEL GmbH, Hamburg (Germany); Philipp, Hugh T. [Cornell University, Ithaca, NY (United States); Wilke, Robin N. [Georg-August-Universität Göttingen, Göttingen (Germany); Aquila, Andrew [European XFEL GmbH, Hamburg (Germany); Osterhoff, Markus [Georg-August-Universität Göttingen, Göttingen (Germany); Tate, Mark W.; Shanks, Katherine S. [Cornell University, Ithaca, NY (United States); Zozulya, Alexey V. [Deutsches Elektronen-Synchrotron DESY, Hamburg (Germany); Salditt, Tim [Georg-August-Universität Göttingen, Göttingen (Germany); Gruner, Sol M. [Cornell University, Ithaca, NY (United States); Cornell University, Ithaca, NY (United States); Kavli Institute of Cornell for Nanoscience, Ithaca, NY (United States); Mancuso, Adrian P. [European XFEL GmbH, Hamburg (Germany)

2014-08-07

The advantages of a novel wide dynamic range hard X-ray detector are demonstrated for (ptychographic) coherent X-ray diffractive imaging. Coherent (X-ray) diffractive imaging (CDI) is an increasingly popular form of X-ray microscopy, mainly due to its potential to produce high-resolution images and the lack of an objective lens between the sample and its corresponding imaging detector. One challenge, however, is that very high dynamic range diffraction data must be collected to produce both quantitative and high-resolution images. In this work, hard X-ray ptychographic coherent diffractive imaging has been performed at the P10 beamline of the PETRA III synchrotron to demonstrate the potential of a very wide dynamic range imaging X-ray detector (the Mixed-Mode Pixel Array Detector, or MM-PAD). The detector is capable of single photon detection, detecting fluxes exceeding 1 × 10{sup 8} 8-keV photons pixel{sup −1} s{sup −1}, and framing at 1 kHz. A ptychographic reconstruction was performed using a peak focal intensity on the order of 1 × 10{sup 10} photons µm{sup −2} s{sup −1} within an area of approximately 325 nm × 603 nm. This was done without need of a beam stop and with a very modest attenuation, while ‘still’ images of the empty beam far-field intensity were recorded without any attenuation. The treatment of the detector frames and CDI methodology for reconstruction of non-sensitive detector regions, partially also extending the active detector area, are described.

A new theory for X-ray diffraction.

Science.gov (United States)

Fewster, Paul F

2014-05-01

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures

DEFF Research Database (Denmark)

Cereser, Alberto; Strobl, Markus; Hall, Stephen A.

2017-01-01

constituting the material. This article presents a new non-destructive 3D technique to study centimeter-sized bulk samples with a spatial resolution of hundred micrometers: time-of-flight three-dimensional neutron diffraction (ToF 3DND). Compared to existing analogous X-ray diffraction techniques, ToF 3DND......-of-flight neutron beamline. The technique was developed and tested with data collected at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Complex (J-PARC) for an iron sample. We successfully reconstructed the shape of 108 grains and developed an indexing procedure...

High quality single shot diffraction patterns using ultrashort megaelectron volt electron beams from a radio frequency photoinjector

Energy Technology Data Exchange (ETDEWEB)

Musumeci, P.; Moody, J. T.; Scoby, C. M.; Gutierrez, M. S. [Department of Physics and Astronomy, UCLA, Los Angeles, California 90095 (United States); Bender, H. A.; Wilcox, N. S. [National Security Technologies, LLC, Los Alamos Operations, Los Alamos, New Mexico 87544 (United States)

2010-01-15

Single shot diffraction patterns using a 250-fs-long electron beam have been obtained at the UCLA Pegasus laboratory. High quality images with spatial resolution sufficient to distinguish closely spaced peaks in the Debye-Scherrer ring pattern have been recorded by scattering the 1.6 pC 3.5 MeV electron beam generated in the rf photoinjector off a 100-nm-thick Au foil. Dark current and high emittance particles are removed from the beam before sending it onto the diffraction target using a 1 mm diameter collimating hole. These results open the door to the study of irreversible phase transformations by single shot MeV electron diffraction.

High quality single shot diffraction patterns using ultrashort megaelectron volt electron beams from a radio frequency photoinjector.

Science.gov (United States)

Musumeci, P; Moody, J T; Scoby, C M; Gutierrez, M S; Bender, H A; Wilcox, N S

2010-01-01

Single shot diffraction patterns using a 250-fs-long electron beam have been obtained at the UCLA Pegasus laboratory. High quality images with spatial resolution sufficient to distinguish closely spaced peaks in the Debye-Scherrer ring pattern have been recorded by scattering the 1.6 pC 3.5 MeV electron beam generated in the rf photoinjector off a 100-nm-thick Au foil. Dark current and high emittance particles are removed from the beam before sending it onto the diffraction target using a 1 mm diameter collimating hole. These results open the door to the study of irreversible phase transformations by single shot MeV electron diffraction.

High quality single shot diffraction patterns using ultrashort megaelectron volt electron beams from a radio frequency photoinjector

International Nuclear Information System (INIS)

Musumeci, P.; Moody, J. T.; Scoby, C. M.; Gutierrez, M. S.; Bender, H. A.; Wilcox, N. S.

2010-01-01

Single shot diffraction patterns using a 250-fs-long electron beam have been obtained at the UCLA Pegasus laboratory. High quality images with spatial resolution sufficient to distinguish closely spaced peaks in the Debye-Scherrer ring pattern have been recorded by scattering the 1.6 pC 3.5 MeV electron beam generated in the rf photoinjector off a 100-nm-thick Au foil. Dark current and high emittance particles are removed from the beam before sending it onto the diffraction target using a 1 mm diameter collimating hole. These results open the door to the study of irreversible phase transformations by single shot MeV electron diffraction.

Diffraction, self-focusing, and the geometrical optics limit in laser produced plasmas

International Nuclear Information System (INIS)

Marchand, R.; Rankin, R.; Capjack, C.E.; Birnboim, A.

1987-01-01

The effect of diffraction on the self-modulation of an intense laser beam in an initially uniform hydrogen plasma is investigated. A formalism is used in which the diffraction term in the paraxial wave equation can be arbitrarily reduced by the use of a weight factor iota. In the limit where iota approaches zero, it is shown that the paraxial wave equation correctly reduces to the geometrical optics limit and that the problem then becomes formally equivalent to solving the ray-tracing equations. When iota = 1, the paraxial wave equation takes its usual form and diffraction is fully accounted for. This formalism is applied to the simulation of self-modulation of an intense laser beam in a hydrogen plasma, for which diffraction is shown to be significant

Purification, crystallization and preliminary X-ray diffraction studies of d-tagatose 3-epimerase from Pseudomonas cichorii

Energy Technology Data Exchange (ETDEWEB)

Yoshida, Hiromi; Yamada, Mitsugu [Molecular Structure Research Group, Information Technology Center and Faculty of Medicine, Kagawa University, 1750-1 Ikenobe, Miki-cho, Kita-gun, Kagawa 761-0793 (Japan); Nishitani, Takeyori; Takada, Goro; Izumori, Ken [Department of Biochemistry and Food Science, Faculty of Agriculture and Rare Sugar Research Center, Kagawa University, Miki-cho, Kagawa 761-0795 (Japan); Kamitori, Shigehiro, E-mail: kamitori@med.kagawa-u.ac.jp [Molecular Structure Research Group, Information Technology Center and Faculty of Medicine, Kagawa University, 1750-1 Ikenobe, Miki-cho, Kita-gun, Kagawa 761-0793 (Japan)

2007-02-01

Recombinant d-tagatose 3-epimerase from P. cichorii was purified and crystallized. Diffraction data were collected to 2.5 Å resolution. d-Tagatose 3-epimerase (D-TE) from Pseudomonas cichorii catalyzes the epimerization of various ketohexoses at the C3 position. The epimerization of d-psicose has not been reported with epimerases other than P. cichorii D-TE and d-psicose 3-epimerase from Agrobacterium tumefaciens. Recombinant P. cichorii D-TE has been purified and crystallized. Crystals of P. cichorii D-TE were obtained by the sitting-drop method at room temperature. The crystal belongs to the monoclinic space group P2{sub 1}, with unit-cell parameters a = 76.80, b = 94.92, c = 91.73 Å, β = 102.82°. Diffraction data were collected to 2.5 Å resolution. The asymmetric unit is expected to contain four molecules.

Purification, crystallization and preliminary X-ray diffraction studies of d-tagatose 3-epimerase from Pseudomonas cichorii

International Nuclear Information System (INIS)

Yoshida, Hiromi; Yamada, Mitsugu; Nishitani, Takeyori; Takada, Goro; Izumori, Ken; Kamitori, Shigehiro

2007-01-01

Recombinant d-tagatose 3-epimerase from P. cichorii was purified and crystallized. Diffraction data were collected to 2.5 Å resolution. d-Tagatose 3-epimerase (D-TE) from Pseudomonas cichorii catalyzes the epimerization of various ketohexoses at the C3 position. The epimerization of d-psicose has not been reported with epimerases other than P. cichorii D-TE and d-psicose 3-epimerase from Agrobacterium tumefaciens. Recombinant P. cichorii D-TE has been purified and crystallized. Crystals of P. cichorii D-TE were obtained by the sitting-drop method at room temperature. The crystal belongs to the monoclinic space group P2 1 , with unit-cell parameters a = 76.80, b = 94.92, c = 91.73 Å, β = 102.82°. Diffraction data were collected to 2.5 Å resolution. The asymmetric unit is expected to contain four molecules

Crystallization and preliminary X-ray diffraction analysis of salutaridine reductase from the opium poppy Papaver somniferum

International Nuclear Information System (INIS)

Higashi, Yasuhiro; Smith, Thomas J.; Jez, Joseph M.; Kutchan, Toni M.

2010-01-01

Recombinant P. somniferum salutaridine reductase (SalR) was purified and crystallized with NADPH using the hanging-drop vapor-diffusion method. Crystals of the SalR–NADPH complex diffracted X-rays to a resolution of 1.9 Å. The opium poppy Papaver somniferum is the source of the narcotic analgesics morphine and codeine. Salutaridine reductase (SalR; EC 1.1.1.248) reduces the C-7 keto group of salutaridine to the C-7 (S)-hydroxyl group of salutaridinol in the biosynthetic pathway that leads to morphine in the opium poppy plant. P. somniferum SalR was overproduced in Escherichia coli and purified using cobalt-affinity and size-exclusion chromatography. Hexagonal crystals belonging to space group P6 4 22 or P6 2 22 were obtained using ammonium sulfate as precipitant and diffracted to a resolution of 1.9 Å

X-ray diffraction studies of Pompeian wall paintings using synchrotron radiation and dedicated laboratory made systems

International Nuclear Information System (INIS)

Duran, A.; Castaing, J.; Walter, P.

2010-01-01

The full identification of artwork materials requires not only elemental analysis but also structural information of the compounds as provided by X-ray diffraction (XRD). This is easily done when taking samples (or micro-samples) from artworks. However, there is an increasing interest in performing non-destructive studies that require adapted XRD systems. Comparative study of synchrotron high-resolution X-ray powder diffraction (SR-HRPD) and laboratory non-destructive systems (portable XRD and micro-XRD) is the main objective of this work. There are no qualitative differences among the three systems as for detected phases in the Pompeian wall paintings that were studied, except in the case of minority phases which only were detected by SR-HRPD. The identified pigments were goethite, hematite, cinnabar, glauconite, Pompeian blue, together with calcite, dolomite and aragonite. Synchrotron XRD diagrams show better resolution than the others. In general, the peak widths in the diagrams obtained with the portable XRD system are similar to those obtained by micro-diffraction equipment. Factors such as residual divergence of X-ray sources, incidence angle and slit or collimator size are discussed in relation with the quality of XRD diagrams. (orig.)

Crystallization and preliminary X-ray diffraction studies of the precursor protein of a thermostable variant of papain

International Nuclear Information System (INIS)

Roy, Sumana; Choudhury, Debi; Chakrabarti, Chandana; Biswas, Sampa; Dattagupta, J. K.

2011-01-01

The crystallization of the precursor of a thermostable variant of papain and the collection of diffraction data to 2.6 Å resolution are reported. The crystallization of a recombinant thermostable variant of pro-papain has been carried out. The mutant pro-enzyme was expressed in Escherichia coli as inclusion bodies, refolded, purified and crystallized. The crystals belonged to space group P2 1 , with unit-cell parameters a = 42.9, b = 74.8, c = 116.5 Å, β = 93.0°, and diffracted to 2.6 Å resolution using synchrotron radiation. Assuming the presence of two molecules in the asymmetric unit, the calculated Matthews coefficient is 2.28 Å 3 Da −1 , corresponding to a solvent content of 46%. Initial attempts to solve the structure using molecular-replacement techniques were successful

Crystal structure of core streptavidin determined from multi-wavelength anomalous diffraction of synchrotron radiation

International Nuclear Information System (INIS)

Hendrickson, W.A.; Paehler, A.; Smith, J.L.; Satow, Y.; Merritt, E.A.; Phizackerley, R.P.

1989-01-01

A three-dimensional crystal structure of the biotin-binding core of streptavidin has been determined at 3.1-angstrom resolution. The structure was analyzed from diffraction data measured at three wavelengths from a single crystal of the selenobiotinyl complex with streptavidin. Streptavidin is a tetramer with subunits arrayed in D 2 symmetry. Each protomer is an 8-stranded β-barrel with simple up-down topology. Biotin molecules are bound at one end of each barrel. This study demonstrates the effectiveness of multi-wavelength anomalous diffraction (MAD) procedures for macromolecular crystallography and provides a basis for detailed study of biotin-avidin interactions

Characterizing Grain-Oriented Silicon Steel Sheet Using Automated High-Resolution Laue X-ray Diffraction

Science.gov (United States)

Lynch, Peter; Barnett, Matthew; Stevenson, Andrew; Hutchinson, Bevis

2017-11-01

Controlling texture in grain-oriented (GO) silicon steel sheet is critical for optimization of its magnetization performance. A new automated laboratory system, based on X-ray Laue diffraction, is introduced as a rapid method for large scale grain orientation mapping and texture measurement in these materials. Wide area grain orientation maps are demonstrated for both macroetched and coated GO steel sheets. The large secondary grains contain uniform lattice rotations, the origins of which are discussed.

Spectral resolution control of acousto-optical cells operating with collimated and divergent beams

Science.gov (United States)

Voloshinov, Vitaly B.; Mishin, Dimitry D.

1994-01-01

The paper is devoted to theoretical and experimental investigations of acousto-optical interactions in crystals which may be used for spectral filtration of light in tunable acousto- optical filters. Attention is paid to spectral resolution control during operation with divergent or collimated noncoherent optical beams. In all examined cases spectral bands of anisotropic Bragg diffraction were regulated by means of novel electronical methods. Resolution control was achieved in paratellurite cells with non-collinear and quasi-collinear regimes of the diffraction. Filtration spectral bandwidths for visible light were electronically changed by a factor of 10 divided by 20 by drive electrical signals switching and drive electrical power regulations.

Crystallization and preliminary X-ray diffraction analyses of pseudechetoxin and pseudecin, two snake-venom cysteine-rich secretory proteins that target cyclic nucleotide-gated ion channels

International Nuclear Information System (INIS)

Suzuki, Nobuhiro; Yamazaki, Yasuo; Fujimoto, Zui; Morita, Takashi; Mizuno, Hiroshi

2005-01-01

Crystals of pseudechetoxin and pseudecin, potent peptidic inhibitors of cyclic nucleotide-gated ion channels, have been prepared and X-ray diffraction data have been collected to 2.25 and 1.90 Å resolution, respectively. Cyclic nucleotide-gated (CNG) ion channels play pivotal roles in sensory transduction of retinal and olfactory neurons. The elapid snake toxins pseudechetoxin (PsTx) and pseudecin (Pdc) are the only known protein blockers of CNG channels. These toxins are structurally classified as cysteine-rich secretory proteins and exhibit structural features that are quite distinct from those of other known small peptidic channel blockers. This article describes the crystallization and preliminary X-ray diffraction analyses of these toxins. Crystals of PsTx belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 60.30, b = 61.59, c = 251.69 Å, and diffraction data were collected to 2.25 Å resolution. Crystals of Pdc also belonged to space group P2 1 2 1 2 1 , with similar unit-cell parameters a = 60.71, b = 61.67, c = 251.22 Å, and diffraction data were collected to 1.90 Å resolution

Crystallization and preliminary X-ray diffraction studies of the abscisic acid receptor PYL3 and its complex with pyrabactin

International Nuclear Information System (INIS)

Zhang, Xingliang; Wu, Wei; Chen, Zhongzhou

2012-01-01

Crystals of the abscisic acid receptor PYL3 and of the PYL3–pyrabactin complex were obtained and optimized in order to obtain high-quality diffraction data. Diffraction data sets were collected and processed to 2.5 and 1.83 Å resolution, respectively. Abscisic acid (ABA) modulates many developmental processes and responses to environmental stress. Recently, a family of pyrabactin resistance-like proteins (PYLs) in Arabidopsis thaliana were identified to be abscisic acid receptors. Although the 14 PYLs members share a similar sequence identity, they exhibit different responses toward pyrabactin. Apo-PYL3 is a dimer; however, its oligomeric state changes greatly on the addition of pyrabactin. Moreover, pyrabactin binds dimeric PYL3 in a nonproductive mode which prevents receptor activation and inhibition of PP2Cs. Here, the expression, purification and crystallization of apo-PYL3 and of PYL3 complexed with pyrabactin are reported. Diffraction data were optimized to 2.5 Å resolution for apo-PYL3 and to 1.83 Å resolution for PYL3–pyrabactin. The crystals of apo-PYL3 and PYL3–pyrabactin belonged to space groups P4 1 2 1 2 and P2 1 2 1 2 1 , respectively

Pair distribution functions of carbonaceous solids, determined using energy filtered diffraction

International Nuclear Information System (INIS)

Petersen, T.C.; McCulloch, D.G.

2002-01-01

Full text: The structures of various carbonaceous solids were investigated using energy filtered diffraction patterns collected in two dimensions using a Gatan Imaging Filter (GIF). In order to reduce multiple scattering and eliminate inelastic scattering effects, the diffraction patterns were filtered using an energy -selecting slit around the zero-loss peak. Software has been developed for the extraction of radially averaged pair distributions functions from the diffraction data. This entails finding the position of the un-scattered beam, radially averaging the two dimensional intensity distributions, calibrating the resulting one dimensional intensity profiles and finally normalising the data to obtain structure factors. Techniques for improving and assessing data quality, pertaining to the methodology used here, have also been explored. Structure factors and radial distribution functions generated using this analysis will be discussed and, for the commercial V25 glassy carbon samples, compared to previous, work of one of the authors'. In order to answer questions regarding multiple scattering effects and structural homogeneity of the samples, neutron scattering was performed on the Medium Resolution Powder Diffractometer (MRPD), at the Australian Nuclear Science and Technology's (ANSTO) facility. A critical comparison of the neutron scattering and electron diffraction generated structure factors will be presented. Copyright (2002) Australian Society for Electron Microscopy Inc

Quantitative comparison between two geometrical layouts for diffraction enhanced imaging

International Nuclear Information System (INIS)

Huang Wanxia; Yuan Qingxi; Zhu Peiping; Wang Junyue; Shu Hang; Chen Bo; Hu Tiandou; Wu Ziyu

2007-01-01

Diffraction enhanced imaging (DEI) with two crystals has been performed at the 4W1A beamline at Beijing Synchrotron Radiation Facility (BSRF). Two different crystal geometrical layouts were used to collect images, in the first layout the rotation axis of the crystal has been set perpendicular to the orbital plane while in the second the axis is parallel to the orbital plane. Performance comparison between the two layouts is discussed in terms of thermal expansion of the crystal induced by the heat load, imaging homogeneity, spatial resolution and angular resolution. From both experimental and theoretical data we show that the best images may be obtained with the optical layout in which the rotation axis of the crystals is perpendicular to the orbital plane

Quantitative comparison between two geometrical layouts for diffraction enhanced imaging

Energy Technology Data Exchange (ETDEWEB)

Huang Wanxia; Yuan Qingxi [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Zhu Peiping [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China)], E-mail: zhupp@ihep.ac.cn; Wang Junyue; Shu Hang [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Chen Bo [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Department of Physics, University of Science and Technology of China, Hefei (China); Hu Tiandou [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Wu Ziyu [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China)], E-mail: wuzy@ihep.ac.cn

2007-07-15

Diffraction enhanced imaging (DEI) with two crystals has been performed at the 4W1A beamline at Beijing Synchrotron Radiation Facility (BSRF). Two different crystal geometrical layouts were used to collect images, in the first layout the rotation axis of the crystal has been set perpendicular to the orbital plane while in the second the axis is parallel to the orbital plane. Performance comparison between the two layouts is discussed in terms of thermal expansion of the crystal induced by the heat load, imaging homogeneity, spatial resolution and angular resolution. From both experimental and theoretical data we show that the best images may be obtained with the optical layout in which the rotation axis of the crystals is perpendicular to the orbital plane.

At-wavelength interferometry of high-NA diffraction-limited EUV optics

Energy Technology Data Exchange (ETDEWEB)

Goldberg, Kenneth A.; Naulleau, Patrick; Rekawa, Senajith; Denham, Paul; Liddle, J. Alexander; Anderson, Erik; Jackson, Keith; Bokor, Jeffrey; Attwood, David

2003-08-01

Recent advances in all-reflective diffraction-limited optical systems designed for extreme ultraviolet (EUV) lithography have pushed numerical aperture (NA) values from 0.1 to 0.3, providing Rayleigh resolutions of 27-nm. Worldwide, several high-NA EUV optics are being deployed to serve in the development of advanced lithographic techniques required for EUV lithography, including the creation and testing of new, high-resolution photoresists. One such system is installed on an undulator beamline at Lawrence Berkeley National Laboratory's Advanced Light Source. Sub{angstrom}-accuracy optical testing and alignment techniques, developed for use with the previous generations of EUV lithographic optical systems, are being extended for use at high NA. Considerations for interferometer design and use are discussed.

Crystallization and preliminary X-ray diffraction analysis of Nsp15 from SARS coronavirus

International Nuclear Information System (INIS)

Ricagno, Stéfano; Coutard, Bruno; Grisel, Sacha; Brémond, Nicolas; Dalle, Karen; Tocque, Fabienne; Campanacci, Valérie; Lichière, Julie; Lantez, Violaine; Debarnot, Claire; Cambillau, Christian; Canard, Bruno; Egloff, Marie-Pierre

2006-01-01

Crystals of Nsp15 from the aetiological agent of SARS have been grown at room temperature. Crystals have cubic symmetry and diffract to a maximum resolution of 2.7 Å. The non-structural protein Nsp15 from the aetiological agent of SARS (severe acute respiratory syndrome) has recently been characterized as a uridine-specific endoribonuclease. This enzyme plays an essential role in viral replication and transcription since a mutation in the related H229E human coronavirus nsp15 gene can abolish viral RNA synthesis. SARS full-length Nsp15 (346 amino acids) has been cloned and expressed in Escherichia coli with an N-terminal hexahistidine tag and has been purified to homogeneity. The protein was subsequently crystallized using PEG 8000 or 10 000 as precipitants. Small cubic crystals of the apoenzyme were obtained from 100 nl nanodrops. They belong to space group P4 1 32 or P4 3 32, with unit-cell parameters a = b = c = 166.8 Å. Diffraction data were collected to a maximum resolution of 2.7 Å

Crystallization and preliminary diffraction studies of SFC-1, a carbapenemase conferring antibiotic resistance

International Nuclear Information System (INIS)

Hong, Myoung-Ki; Lee, Jae Jin; Wu, Xing; Kim, Jin-Kwang; Jeong, Byeong Chul; Pham, Tan-Viet; Kim, Seung-Hwan; Lee, Sang Hee; Kang, Lin-Woo

2012-01-01

The SFC-1 gene from S. fonticola was cloned and SFC-1 was expressed, purified and crystallized. X-ray diffraction data were collected from an SFC-1 crystal to 1.6 Å resolution. SFC-1, a class A carbapenemase that confers antibiotic resistance, hydrolyzes the β-lactam rings of β-lactam antibiotics (carbapenems, cephalosporins, penicillins and aztreonam). SFC-1 presents an enormous challenge to infection control, particularly in the eradication of Gram-negative pathogens. As SFC-1 exhibits a remarkably broad substrate range, including β-lactams of all classes, the enzyme is a potential target for the development of antimicrobial agents against pathogens producing carbapenemases. In this study, SFC-1 was cloned, overexpressed, purified and crystallized. The SFC-1 crystal diffracted to 1.6 Å resolution and belonged to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 65.8, b = 68.3, c = 88.8 Å. Two molecules are present in the asymmetric unit, with a corresponding V M of 1.99 Å 3 Da −1 and a solvent content of 38.1%

Crystallization and preliminary X-ray diffraction analysis of Nsp15 from SARS coronavirus

Energy Technology Data Exchange (ETDEWEB)

Ricagno, Stéfano; Coutard, Bruno; Grisel, Sacha; Brémond, Nicolas; Dalle, Karen; Tocque, Fabienne; Campanacci, Valérie; Lichière, Julie; Lantez, Violaine; Debarnot, Claire; Cambillau, Christian; Canard, Bruno; Egloff, Marie-Pierre, E-mail: marie-pierre.egloff@afmb.univ-mrs.fr [Centre National de la Recherche Scientifique and Universités d’Aix-Marseille I et II, UMR 6098, Architecture et Fonction des Macromolécules Biologiques, Ecole Supérieure d’Ingénieurs de Luminy-Case 925, 163 Avenue de Luminy, 13288 Marseille CEDEX 9 (France)

2006-04-01

Crystals of Nsp15 from the aetiological agent of SARS have been grown at room temperature. Crystals have cubic symmetry and diffract to a maximum resolution of 2.7 Å. The non-structural protein Nsp15 from the aetiological agent of SARS (severe acute respiratory syndrome) has recently been characterized as a uridine-specific endoribonuclease. This enzyme plays an essential role in viral replication and transcription since a mutation in the related H229E human coronavirus nsp15 gene can abolish viral RNA synthesis. SARS full-length Nsp15 (346 amino acids) has been cloned and expressed in Escherichia coli with an N-terminal hexahistidine tag and has been purified to homogeneity. The protein was subsequently crystallized using PEG 8000 or 10 000 as precipitants. Small cubic crystals of the apoenzyme were obtained from 100 nl nanodrops. They belong to space group P4{sub 1}32 or P4{sub 3}32, with unit-cell parameters a = b = c = 166.8 Å. Diffraction data were collected to a maximum resolution of 2.7 Å.

Imaging cellular structures in super-resolution with SIM, STED and Localisation Microscopy: A practical comparison.

Science.gov (United States)

Wegel, Eva; Göhler, Antonia; Lagerholm, B Christoffer; Wainman, Alan; Uphoff, Stephan; Kaufmann, Rainer; Dobbie, Ian M

2016-06-06

Many biological questions require fluorescence microscopy with a resolution beyond the diffraction limit of light. Super-resolution methods such as Structured Illumination Microscopy (SIM), STimulated Emission Depletion (STED) microscopy and Single Molecule Localisation Microscopy (SMLM) enable an increase in image resolution beyond the classical diffraction-limit. Here, we compare the individual strengths and weaknesses of each technique by imaging a variety of different subcellular structures in fixed cells. We chose examples ranging from well separated vesicles to densely packed three dimensional filaments. We used quantitative and correlative analyses to assess the performance of SIM, STED and SMLM with the aim of establishing a rough guideline regarding the suitability for typical applications and to highlight pitfalls associated with the different techniques.

Near diffraction limited mid-IR spectromicroscopy using frequency upconversion

DEFF Research Database (Denmark)

Sanders, Nicolai Højer; Dam, Jeppe Seidelin; Tidemand-Lichtenberg, Peter

2014-01-01

morphological and spectral imaging. Recent developments in nonlinear frequency upconversion, have demonstrated the potential to perform both imaging and spectroscopy in the mid-IR range at unparalleled low levels of illumination, the low upconversion detector noise being orders of magnitude below competing...... technologies. With these applications in mind, we have incorporated microscopy optics into an image upconversion system, achieving near diffraction limited spatial resolution in the 3 μm range. Spectroscopic information is further acquired by appropriate control of the phase match condition of the upconversion...

Simulations of the temporal and spatial resolution for a compact time-resolved electron diffractometer

Science.gov (United States)

Robinson, Matthew S.; Lane, Paul D.; Wann, Derek A.

2016-02-01

A novel compact electron gun for use in time-resolved gas electron diffraction experiments has recently been designed and commissioned. In this paper we present and discuss the extensive simulations that were performed to underpin the design in terms of the spatial and temporal qualities of the pulsed electron beam created by the ionisation of a gold photocathode using a femtosecond laser. The response of the electron pulses to a solenoid lens used to focus the electron beam has also been studied. The simulated results show that focussing the electron beam affects the overall spatial and temporal resolution of the experiment in a variety of ways, and that factors that improve the resolution of one parameter can often have a negative effect on the other. A balance must, therefore, be achieved between spatial and temporal resolution. The optimal experimental time resolution for the apparatus is predicted to be 416 fs for studies of gas-phase species, while the predicted spatial resolution of better than 2 nm-1 compares well with traditional time-averaged electron diffraction set-ups.

Purification, crystallization and preliminary X-ray diffraction studies of parakeet (Psittacula krameri) haemoglobin.

Science.gov (United States)

Jaimohan, S M; Naresh, M D; Arumugam, V; Mandal, A B

2009-10-01

Birds often show efficient oxygen management in order to meet the special demands of their metabolism. However, the structural studies of avian haemoglobins (Hbs) are inadequate for complete understanding of the mechanism involved. Towards this end, purification, crystallization and preliminary X-ray diffraction studies have been carried out for parakeet Hb. Parakeet Hb was crystallized as the met form in low-salt buffered conditions after extracting haemoglobin from crude blood by microcentrifugation and purifying the sample by column chromatography. Good-quality crystals were grown from 10% PEG 3350 and a crystal diffracted to about 2.8 A resolution. Preliminary diffraction data showed that the Hb crystal belonged to the monoclinic system (space group C2), with unit-cell parameters a = 110.68, b = 64.27, c = 56.40 A, beta = 109.35 degrees . Matthews volume analysis indicated that the crystals contained a half-tetramer in the asymmetric unit.

Structure and morphology of mythimna pupa under diffraction enhanced imaging

International Nuclear Information System (INIS)

Huang Wanxia; Yuan Qingxi; Zhu Peiping; Wang Junyue; Liu Yijin; Chen Bo; Shu Hang; Hu Tiandou; Wu Ziyu; Ge Siqin

2007-01-01

As a technique of X-ray phase contrast imaging, the diffraction enhanced imaging (DEI) attracts much interest due to its high resolution and contrast. The top images of DEI were used to study the growth of a complete metamorphic mythimna in the period of pupa. Clear images about the pupa structure were obtained. The entire growth process of the pupa was observed, including the evolvement of part of organs and tissues from larva to imago. (authors)

Strain and crystalline defects in epitaxial GaN layers studied by high-resolution X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Chierchia, Rosa

2007-07-01

)6H SiC substrates have been studied by high resolution X-ray diffraction at both symmetrical and asymmetrical reflections. An inhomogeneous Al distribution was found in the film at the substrate interface. The Al fluctuations disappear at a film thickness of 100 nm. In the second part of the Chapter the X-ray reflectivity technique has been utilized for the characterization of AlGaN/GaN superlattices. The fundamental parameters of the superlattices, i.e. period and individual layer thicknesses could be determined for ideally flat surface. (orig.)

Study of quartz-glass using Roentgen- and neutron-diffraction

International Nuclear Information System (INIS)

Sikkenk, P.J.

1988-08-01

An X-ray diffraction measurement, with wavelength 0.0711 nm, is made of a vitreous silica to kappa of 200nm -1 . (faculty of materials science) A second X-ray diffraction measurement has been executed (National Laboratory Oak Ridge). For this research we also used neutron diffraction measurement (IRI), with wavelength 0.085 nm of a vitreous silica to kappa of 132 nm -1 . The intermolecular scattering functions derived from the X-ray measurements and neutron measurements by omitting the intramolecular scattering contribution. A theoretical model for the structure of vitreous silica is used, derived from a mixture of Si en SiO-4 units. The partial scattering functions i-S-i---S-i is determined with help of the model and the intermolecular X-ray scattering functions and intermolecular neutron scattering functions and intermolecular neutron scatteirng functions. The fouriertransform of the partial scattering function i-S-i---S-i leads to the partial radial correlation function. When this partial radial correlation function is compared to a correlation function directly obtained by the intermolecular scattering function, a considerable increase of the resolution is observed in the partial correlation function if r > 0.29 nm and r < 0.45 nm. (author). 16 refs.; 30 figs.; 9 tabs

Purification, crystallization and preliminary X-ray diffraction experiments on the breakage-reunion domain of the DNA gyrase from Mycobacterium tuberculosis

International Nuclear Information System (INIS)

Piton, Jérémie; Matrat, Stéphanie; Petrella, Stéphanie; Jarlier, Vincent; Aubry, Alexandra; Mayer, Claudine

2009-01-01

The breakage-reunion domain of M. tuberculosis DNA gyrase was crystallized using the hanging-drop vapour-diffusion method. One of the four crystal forms obtained belonged to space group C2 and diffraction data were collected to a resolution of 2.7 Å. Mycobacterium tuberculosis DNA gyrase, a nanomachine that is involved in the regulation of DNA topology, is the only type II topoisomerase present in this organism and hence is the sole target for fluoroquinolone action. The breakage-reunion domain of the A subunit plays an essential role in DNA binding during the catalytic cycle. Two constructs of 53 and 57 kDa (termed GA53BK and GA57BK) corresponding to this domain have been overproduced, purified and crystallized. Diffraction data were collected from four crystal forms. The resolution limits ranged from 4.6 to 2.7 Å depending on the crystal form. The best diffracting crystals belonged to space group C2, with a biological dimer in the asymmetric unit. This is the first report of the crystallization and preliminary X-ray diffraction analysis of the breakage-reunion domain of DNA gyrase from a species containing one unique type II topoisomerase

X-ray diffraction from single GaAs nanowires

Energy Technology Data Exchange (ETDEWEB)

Biermanns, Andreas

2012-11-12

In recent years, developments in X-ray focussing optics have allowed to produce highly intense, coherent X-ray beams with spot sizes in the range of 100 nm and below. Together with the development of new experimental stations, X-ray diffraction techniques can now be applied to study single nanometer-sized objects. In the present work, X-ray diffraction is applied to study different aspects of the epitaxial growth of GaAs nanowires. Besides conventional diffraction methods, which employ X-ray beams with dimensions of several tens of {mu}m, special emphasis lies on the use of nanodiffraction methods which allow to study single nanowires in their as-grown state without further preparation. In particular, coherent X-ray diffraction is applied to measure simultaneously the 3-dimensional shape and lattice parameters of GaAs nanowires grown by metal-organic vapor phase epitaxy. It is observed that due to a high density of zinc-blende rotational twins within the nanowires, their lattice parameter deviates systematically from the bulk zinc-blende phase. In a second step, the initial stage in the growth of GaAs nanowires on Si (1 1 1) surfaces is studied. This nanowires, obtained by Ga-assisted growth in molecular beam epitaxy, grow predominantly in the cubic zinc-blende structure, but contain inclusions of the hexagonal wurtzite phase close to their bottom interface. Using nanodiffraction methods, the position of the different structural units along the growth axis is determined. Because the GaAs lattice is 4% larger than silicon, these nanowires release their lattice mismatch by the inclusion of dislocations at the interface. Whereas NWs with diameters below 50 nm are free of strain, a rough interface structure in nanowires with diameters above 100 nm prevents a complete plastic relaxation, leading to a residual strain at the interface that decays elastically along the growth direction. Finally, measurements on GaAs-core/InAs-shell nanowire heterostructures are presented

Crystal diffraction lens for medical imaging

International Nuclear Information System (INIS)

Smither, R. K.; Roa, D. E.

2000-01-01

A crystal diffraction lens for focusing energetic gamma rays has been developed at Argonne National Laboratory for use in medical imaging of radioactivity in the human body. A common method for locating possible cancerous growths in the body is to inject radioactivity into the blood stream of the patient and then look for any concentration of radioactivity that could be associated with the fast growing cancer cells. Often there are borderline indications of possible cancers that could be due to statistical functions in the measured counting rates. In order to determine if these indications are false or real, one must resort to surgical means and take tissue samples in the suspect area. They are developing a system of crystal diffraction lenses that will be incorporated into a 3-D imaging system with better sensitivity (factors of 10 to 100) and better spatial resolution (a few mm in both vertical and horizontal directions) than most systems presently in use. The use of this new imaging system will allow one to eliminate 90% of the false indications and both locate and determine the size of the cancer with mm precision. The lens consists of 900 single crystals of copper, 4 mm x 4 mm on a side and 2--4 mm thick, mounted in 13 concentric rings

Collagen imaged by Coherent X-ray Diffraction: towards a complementary tool to conventional scanning SAXS

International Nuclear Information System (INIS)

Berenguer de la Cuesta, Felisa; Bean, Richard J; Bozec, Laurent; Robinson, Ian K; McCallion, Catriona; Wallace, Kris; Hiller, Jen C; Terrill, Nicholas J

2010-01-01

Third generation x-ray sources offer unique possibilities for exploiting coherence in the study of materials. New insights in the structure and dynamics of soft condensed matter and biological samples can be obtained by coherent x-ray diffraction (CXD). However, the experimental procedures for applying these methods to collagen tissues are still under development. We present here an investigation for the optimal procedure in order to obtain high quality CXD data from collagen tissues. Sample handling and preparation and adequate coherence defining apertures are among the more relevant factors to take into account. The impact of the results is also discussed, in particular in comparison with the information that can be extracted from conventional scanning small angle x-ray scattering (SAXS). Images of collagen tissues obtained by CXD reconstructions will give additional information about the local structure with higher resolution and will complement scanning SAXS images.

Collagen imaged by Coherent X-ray Diffraction: towards a complementary tool to conventional scanning SAXS

Energy Technology Data Exchange (ETDEWEB)

Berenguer de la Cuesta, Felisa; Bean, Richard J; Bozec, Laurent; Robinson, Ian K [London Centre for Nanotechnology (LCN), University College London (UCL), London WC1H 0AH (United Kingdom); McCallion, Catriona; Wallace, Kris [Department of Physics and Astronomy, University College London (UCL), London WC1E 6BT (United Kingdom); Hiller, Jen C; Terrill, Nicholas J, E-mail: f.berenguer@ucl.ac.u [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

2010-10-01

Third generation x-ray sources offer unique possibilities for exploiting coherence in the study of materials. New insights in the structure and dynamics of soft condensed matter and biological samples can be obtained by coherent x-ray diffraction (CXD). However, the experimental procedures for applying these methods to collagen tissues are still under development. We present here an investigation for the optimal procedure in order to obtain high quality CXD data from collagen tissues. Sample handling and preparation and adequate coherence defining apertures are among the more relevant factors to take into account. The impact of the results is also discussed, in particular in comparison with the information that can be extracted from conventional scanning small angle x-ray scattering (SAXS). Images of collagen tissues obtained by CXD reconstructions will give additional information about the local structure with higher resolution and will complement scanning SAXS images.

Fast parallel diffractive multi-beam femtosecond laser surface micro-structuring

Energy Technology Data Exchange (ETDEWEB)

Zheng Kuang, E-mail: z.kuang@liv.ac.uk [Laser Group, Department of Engineering, University of Liverpool, Brodie Building, Liverpool L69 3GQ (United Kingdom); Dun Liu; Perrie, Walter; Edwardson, Stuart; Sharp, Martin; Fearon, Eamonn; Dearden, Geoff; Watkins, Ken [Laser Group, Department of Engineering, University of Liverpool, Brodie Building, Liverpool L69 3GQ (United Kingdom)

2009-04-15

Fast parallel femtosecond laser surface micro-structuring is demonstrated using a spatial light modulator (SLM). The Gratings and Lenses algorithm, which is simple and computationally fast, is used to calculate computer generated holograms (CGHs) producing diffractive multiple beams for the parallel processing. The results show that the finite laser bandwidth can significantly alter the intensity distribution of diffracted beams at higher angles resulting in elongated hole shapes. In addition, by synchronisation of applied CGHs and the scanning system, true 3D micro-structures are created on Ti6Al4V.

Determination of densities from chemical composition and X-Ray diffraction

International Nuclear Information System (INIS)

Azevedo, A.L.T. de

1980-01-01

X-ray diffraction method applied to retained austenite measurements gives volume per cent results, whereas the same kind of measurement made by Moessbauer Effect gives iron percentages. To compare both results one needs to convert the volume % to weight % or vice-versa. This necessitates, among other things, in determining the densities of the α and #betta# phases in the steel being studied. A method for calculating the densities, based on the application of the definition of density to just one unit cell, using X-ray diffraction and chemical results, are described. (Author) [pt

The high-resolution powder diffraction station PO DI STA is ''running'' at Adone

International Nuclear Information System (INIS)

Burattini, E.; Simeoni, S.; Cappuccio, G.; Maistrelli, P.

1992-01-01

At the end of February 1991, a ''triple-axis'' high-resolution diffractometer for on powder sample measurements with synchrotron radiation was put in operation on the Adone wiggler line BX1 at Frascati. The diffractometer is based on a Seifert goniometer, designed according to our specifications. During the project, particular attention was paid in assuring the highest reliability together with great flexibility in the use. In fact, the diffractometer can also be used in a ''medium resolution'' configuration. For preliminary alignment and data collection, it is possible to operate with a traditional x-ray tube, too. The alignment procedure of the diffractometer to the x-ray beam is very easy. Powder samples can be measured both on the flat holder and on the capillary. An IBM PC computer is used for the instrument actuation and preliminary on-line data collection, while a large software package has been developed for the data analysis performed by a Macintosh IIcx. The instrument performance has been tested with a standard Si sample and quartz and Ni oxide samples. For the two possible resolution configurations, a test on a NiO sample gave FWHM values of 0.16 degree and 0.04 degree, respectively, for the [012] peak

Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.

Science.gov (United States)

Gardberg, Anna S; Del Castillo, Alexis Rae; Weiss, Kevin L; Meilleur, Flora; Blakeley, Matthew P; Myles, Dean A A

2010-05-01

The locations of H atoms in biological structures can be difficult to determine using X-ray diffraction methods. Neutron diffraction offers a relatively greater scattering magnitude from H and D atoms. Here, 1.65 A resolution neutron diffraction studies of fully perdeuterated and selectively CH(3)-protonated perdeuterated crystals of Pyrococcus furiosus rubredoxin (D-rubredoxin and HD-rubredoxin, respectively) at room temperature (RT) are described, as well as 1.1 A resolution X-ray diffraction studies of the same protein at both RT and 100 K. The two techniques are quantitatively compared in terms of their power to directly provide atomic positions for D atoms and analyze the role played by atomic thermal motion by computing the sigma level at the D-atom coordinate in simulated-annealing composite D-OMIT maps. It is shown that 1.65 A resolution RT neutron data for perdeuterated rubredoxin are approximately 8 times more likely overall to provide high-confidence positions for D atoms than 1.1 A resolution X-ray data at 100 K or RT. At or above the 1.0sigma level, the joint X-ray/neutron (XN) structures define 342/378 (90%) and 291/365 (80%) of the D-atom positions for D-rubredoxin and HD-rubredoxin, respectively. The X-ray-only 1.1 A resolution 100 K structures determine only 19/388 (5%) and 8/388 (2%) of the D-atom positions above the 1.0sigma level for D-rubredoxin and HD-rubredoxin, respectively. Furthermore, the improved model obtained from joint XN refinement yielded improved electron-density maps, permitting the location of more D atoms than electron-density maps from models refined against X-ray data only.

Emergence of Fresnel diffraction zones in gravitational lensing by a cosmic string

Energy Technology Data Exchange (ETDEWEB)

Fernández-Núñez, Isabel [Departament de Física Quàntica i Astrofísica, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, E-08028 Barcelona (Spain); Institut de Ciències del Cosmos (ICCUB), Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, E-08028 Barcelona (Spain); Bulashenko, Oleg, E-mail: oleg.bulashenko@ub.edu [Departament de Física Quàntica i Astrofísica, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, E-08028 Barcelona (Spain)

2017-06-09

The possibility to detect cosmic strings – topological defects of early Universe, by means of wave effects in gravitational lensing is discussed. To find the optimal observation conditions, we define the hyperbolic-shaped Fresnel observation zones associated with the diffraction maxima and analyse the frequency patterns of wave amplification corresponding to different alignments. In particular, we show that diffraction of gravitational waves by the string may lead to significant amplification at cosmological distances. The wave properties we found are quite different from what one would expect, for instance, from light scattered off a thin wire or slit, since a cosmic string, as a topological defect, gives no shadow at all. - Highlights: • Interference and diffraction of gravitational waves by a cosmic string are studied. • Uniform asymptotic theory of diffraction is applied for a finite distance source. • Hyperbolic-shaped Fresnel observation zones associated with maxima of diffraction. • Frequency patterns modulated by diffraction for different string alignments are given. • The method is applicable to condensed-matter defects and other types of waves.

Femtosecond Electron Wave Packet Propagation and Diffraction: Towards Making the ``Molecular Movie"

Science.gov (United States)

Miller, R. J. Dwayne

2003-03-01

Time-resolved electron diffraction harbors great promise for achieving atomic resolution of the fastest chemical processes. The generation of sufficiently short electron pulses to achieve this real time view of a chemical reaction has been limited by problems in maintaining short electron pulses with realistic electron densities to the sample. The propagation dynamics of femtosecond electron packets in the drift region of a photoelectron gun are investigated with an N-body numerical simulation and mean-field model. This analyis shows that the redistribution of electrons inside the packet, arising from space-charge and dispersion contributions, changes the pulse envelope and leads to the development of a spatially linear axial velocity distribution. These results have been used in the design of femtosecond photoelectron guns with higher time resolution and novel electron-optical methods of pulse characterization that are approaching 100 fs timescales. Time-resolved diffraction studies with electron pulses of approximately 500 femtoseconds have focused on solid-liquid phase transitions under far from equilibrium conditions. This work gives a microscopic description of the melting process and illustrates the promise of atomically resolving transition state processes.

Expression, purification, crystallization and preliminary X-ray diffraction analysis of the TonB-dependent haem outer membrane transporter ShuA from Shigella dysenteriae

International Nuclear Information System (INIS)

Brillet, Karl; Meksem, Ahmed; Thompson, Andrew; Cobessi, David

2009-01-01

ShuA from S. dysenteriae was crystallized in several crystallization conditions containing detergents. Adding heavy atoms during crystallization strongly improved the crystal quality and the resolution limits. Diffraction data were collected at an energy remote from the Pb M absorption edges. As part of efforts towards understanding the crystallization of membrane proteins and membrane transport across the outer membrane of Gram-negative bacteria, the TonB-dependent haem outer membrane transporter ShuA of Shigella dysenteriae bound to heavy atoms was crystallized in several crystallization conditions using detergents. The insertion of a His 6 tag into an extracellular loop of ShuA, instead of downstream of the Escherichia coli peptide signal, allowed efficient targeting to the outer membrane and the rapid preparation of crystallizable protein. Crystals diffracting X-rays beyond 3.5 Å resolution were obtained by co-crystallizing ShuA with useful heavy atoms for phasing (Eu, Tb, Pb) by the MAD method at the synchrotron, and the SAD or SIRAS method at the Cu wavelength. The authors collected X-ray diffraction data at 2.3 Å resolution using one crystal of ShuA-Pb, and at 3.2 Å resolution at an energy remote from the Pb M absorption edges for phasing on PROXIMA-1 at SOLEIL

Energy resolution of the CdTe-XPAD detector:calibration and potential for Laue diffractionmeasurements on protein crystals

Energy Technology Data Exchange (ETDEWEB)

Medjoubi K.; Idir M.; Thompson, A.; Berar, J-F.; Clemens, J-C.; Delpierre, P.; Da Silva, P.; Dinkespiler, B.; Itie, J-P.; Legrand, P.; Menneglier, C.; Mercere, P.; Picca, F.; Samama J-P.

2012-02-02

The XPAD3S-CdTe, a CdTe photon-counting pixel array detector, has been used to measure the energy and the intensity of the white-beam diffraction from a lysozyme crystal. A method was developed to calibrate the detector in terms of energy, allowing incident photon energy measurement to high resolution (approximately 140 eV), opening up new possibilities in energy-resolved X-ray diffraction. In order to demonstrate this, Laue diffraction experiments were performed on the bending-magnet beamline METROLOGIE at Synchrotron SOLEIL. The X-ray energy spectra of diffracted spots were deduced from the indexed Laue patterns collected with an imaging-plate detector and then measured with both the XPAD3S-CdTe and the XPAD3S-Si, a silicon photon-counting pixel array detector. The predicted and measured energy of selected diffraction spots are in good agreement, demonstrating the reliability of the calibration method. These results open up the way to direct unit-cell parameter determination and the measurement of high-quality Laue data even at low resolution. Based on the success of these measurements, potential applications in X-ray diffraction opened up by this type of technology are discussed.