Metrology of variable-line-spacing x-ray gratings using the APS Long Trace Profiler

NASA Astrophysics Data System (ADS)

Sheung, Janet; Qian, Jun; Sullivan, Joseph; Thomasset, Muriel; Manton, Jonathan; Bean, Sunil; Takacs, Peter; Dvorak, Joseph; Assoufid, Lahsen

2017-09-01

As resolving power targets have increased with each generation of beamlines commissioned in synchrotron radiation facilities worldwide, diffraction gratings are quickly becoming crucial optical components for meeting performance targets. However, the metrology of variable-line-spacing (VLS) gratings for high resolution beamlines is not widespread; in particular, no metrology facility at any US DOE facility is currently equipped to fully characterize such gratings. To begin to address this issue, the Optics Group at the Advanced Photon Source at Argonne, in collaboration with SOLEIL and with support from Brookhaven National Laboratory (BNL), has developed an alternative beam path addition to the Long Trace Profiler (LTP) at Argonne's Advanced Photon Source. This significantly expands the functionality of the LTP not only to measure mirrors surface slope profile at normal incidence, but also to characterize the groove density of VLS diffraction gratings in the Littrow incidence up to 79°, which covers virtually all diffraction gratings used at synchrotrons in the first order. The LTP light source is a 20mW HeNe laser, which yields enough signal for diffraction measurements to be performed on low angle blazed gratings optimized for soft X-ray wavelengths. We will present the design of the beam path, technical requirements for the optomechanics, and our data analysis procedure. Finally, we discuss challenges still to be overcome and potential limitations with use of the LTP to perform metrology on diffraction gratings.

Modeling spatially localized photonic nanojets from phase diffraction gratings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geints, Yu. E., E-mail: ygeints@iao.ru; Tomsk State University, 36, Lenina Avenue, Tomsk 634050; Zemlyanov, A. A.

2016-04-21

We investigated numerically the specific spatially localized intense optical structure, a photonic nanojet (PNJ), formed in the near-field scattering of optical radiation at phase diffraction gratings. The finite-difference time-domain technique was employed to study the PNJ key parameters (length, width, focal distance, and intensity) produced by diffraction gratings with the saw-tooth, rectangle, and hemispheric line profiles. Our analysis showed that each type of diffraction gratings produces a photonic jet with unique characteristics. Based on the numerical calculations, we demonstrate that the PNJ could be manipulated in a wide range through the variation of period, duty cycle, and shape of diffractionmore » grating rulings.« less

Design and characteristic analysis of shaping optics for optical trepanning

NASA Astrophysics Data System (ADS)

Zeng, D.; Latham, W. P.; Kar, A.

2005-08-01

Optical trepanning is a new laser drilling method using an annular beam. The annular beams allow numerous irradiance profiles to supply laser energy to the workpiece and thus provide more flexibility in affecting the hole quality than a traditional circular laser beam. The refractive axicon system has been designed to generating a collimated annular beam. In this article, calculations of intensity distributions produced by this refractive system are made by evaluating the Kirchhoff-Fresnel diffraction. It is shown that the refractive system is able to transform a Gaussian beam into a full Gaussian annular beam. The base angle of the axicon lens, input laser beam diameter and intensity profiles are found to be important factors for the axcion refractive system. Their effects on the annular beam profiles are analyzed based on the numerical solutions of the diffraction patterns.

Dislocation, crystallite size distribution and lattice strain of magnesium oxide nanoparticles

NASA Astrophysics Data System (ADS)

Sutapa, I. W.; Wahid Wahab, Abdul; Taba, P.; Nafie, N. L.

2018-03-01

The oxide of magnesium nanoparticles synthesized using sol-gel method and analysis of the structural properties was conducted. The functional groups of nanoparticles has been analysed by Fourier Transform Infrared Spectroscopy (FT-IR). Dislocations, average size of crystal, strain, stress, the energy density of crystal, crystallite size distribution and morphologies of the crystals were determined based on X-ray diffraction profile analysis. The morphological of the crystal was analysed based on the image resulted from SEM analysis. The crystallite size distribution was calculated with the contention that the particle size has a normal logarithmic form. The most orientations of crystal were determined based on the textural crystal from diffraction data of X-ray diffraction profile analysis. FT-IR results showed the stretching vibration mode of the Mg-O-Mg in the range of 400.11-525 cm-1 as a broad band. The average size crystal of nanoparticles resulted is 9.21 mm with dislocation value of crystal is 0.012 nm-2. The strains, stress, the energy density of crystal are 1.5 x 10-4 37.31 MPa; 0.72 MPa respectively. The highest texture coefficient value of the crystal is 0.98. This result is supported by morphological analysis using SEM which shows most of the regular cubic-shaped crystals. The synthesis method is suitable for simple and cost-effective synthesis model of MgO nanoparticles.

The classification of secondary colorectal liver cancer in human biopsy samples using angular dispersive x-ray diffraction and multivariate analysis

NASA Astrophysics Data System (ADS)

Theodorakou, Chrysoula; Farquharson, Michael J.

2009-08-01

The motivation behind this study is to assess whether angular dispersive x-ray diffraction (ADXRD) data, processed using multivariate analysis techniques, can be used for classifying secondary colorectal liver cancer tissue and normal surrounding liver tissue in human liver biopsy samples. The ADXRD profiles from a total of 60 samples of normal liver tissue and colorectal liver metastases were measured using a synchrotron radiation source. The data were analysed for 56 samples using nonlinear peak-fitting software. Four peaks were fitted to all of the ADXRD profiles, and the amplitude, area, amplitude and area ratios for three of the four peaks were calculated and used for the statistical and multivariate analysis. The statistical analysis showed that there are significant differences between all the peak-fitting parameters and ratios between the normal and the diseased tissue groups. The technique of soft independent modelling of class analogy (SIMCA) was used to classify normal liver tissue and colorectal liver metastases resulting in 67% of the normal tissue samples and 60% of the secondary colorectal liver tissue samples being classified correctly. This study has shown that the ADXRD data of normal and secondary colorectal liver cancer are statistically different and x-ray diffraction data analysed using multivariate analysis have the potential to be used as a method of tissue classification.

Design of a Binary Grating with Subwavelength Features that Acts as a Polarizing Beam Splitter.

PubMed

Pajewski, L; Borghi, R; Schettini, G; Frezza, F; Santarsiero, M

2001-11-10

A binary diffractive optical element, acting as a polarizing beam splitter, is proposed and analyzed. It behaves like a transmissive blazed grating, working on the first or the second diffraction order, depending on the polarization state of the incident radiation. The grating-phase profile required for both polarization states is obtained by means of suitably sized subwavelength groups etched in an isotropic dielectric medium. A rigorous electromagnetic analysis of the grating is presented, and numerical results concerning its performances in terms of diffraction efficiency as well as frequency and angular bandwidths are provided.

X-Ray Diffraction Profile Analysis for Characterizing Isothermal Aging Behavior of M250 Grade Maraging Steel

NASA Astrophysics Data System (ADS)

Mahadevan, S.; Jayakumar, T.; Rao, B. P. C.; Kumar, Anish; Rajkumar, K. V.; Raj, Baldev

2008-08-01

X-ray diffraction (XRD) studies were carried out to characterize aging behavior of M250 grade maraging steel samples subjected to isothermal aging at 755 K for varying durations of 0.25, 1, 3, 10, 40, 70, and 100 hours. Earlier studies had shown typical features of precipitation hardening, wherein the hardness increased to a peak value due to precipitation of intermetallics and decreased upon further aging (overaging) due to reversion of martensite to austenite. Intermetallic precipitates, while coherent, are expected to increase the microstrain in the matrix. Hence, an attempt has been made in the present study to understand the microstructural changes in these samples using XRD line profile analysis. The anisotropic broadening with diffraction angle observed in the simple Williamson Hall (WH) plot has been addressed using the modified WH (mWH) approach, which takes into account the contrast caused by dislocations on line profiles, leading to new scaling factors in the WH plot. The normalized mean square strain and crystallite size estimated from mWH have been used to infer early precipitation and to characterize aging behavior. The normalized mean square strain has been used to determine the Avrami exponent in the Johnson Mehl Avrami (JMA) equation, which deals with the kinetics of precipitation. The Avrami exponent thus determined has matched well with values found by other methods, as reported in literature.

Determination of a Two-Phase Structure of Nanocrystals: GaN and SiC

NASA Technical Reports Server (NTRS)

Palosz, W.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Lojkowski, W.; Bismayer, U.; Neuefeind, J.; Weber, H.-P.; Janik, J. F.;

Dislocation structure in textured zirconium tensile-deformed along rolling and transverse directions determined by X-ray diffraction line profile analysis

NASA Astrophysics Data System (ADS)

Fan, Zhijian; Jóni, Bertalan; Xie, Lei; Ribárik, Gábor; Ungár, Tamás

2018-04-01

Specimens of cold-rolled zirconium were tensile-deformed along the rolling (RD) and the transverse (TD) directions. The stress-strain curves revealed a strong texture dependence. High resolution X-ray line profile analysis was used to determine the prevailing active slip-systems in the specimens with different textures. The reflections in the X-ray diffraction patterns were separated into two groups. One group corresponds to the major and the other group to the random texture component, respectively. The dislocation densities, the subgrain size and the prevailing active slip-systems were evaluated by using the convolutional multiple whole profile (CMWP) procedure. These microstructure parameters were evaluated separately in the two groups of reflections corresponding to the two different texture components. Significant differences were found in both, the evolution of dislocation densities and the development of the fractions of and type slip systems in the RD and TD specimens during tensile deformation. The differences between the RD and TD stress-strain curves are discussed in terms of the differences of the microstructure evolution.

A novel method to fabricate silicon tubular gratings with broadband antireflection and super-hydrophobicity.

PubMed

Gao, Yang; Shi, Tielin; Tan, Xianhua; Liao, Guanglan

2014-06-01

We have developed a novel method to fabricate micro/nano structure based on the coherent diffraction lithography, and acquired periodic silicon tubular gratings with deep nano-scale tapered profiles at the top part. The optical properties of these tubular gratings were similar to an effective gradient-index antireflective surface, resulting in a broadband antireflective combining super-hydrophobic behavior. The mechanism of the method was simulated by rigorous coupled wave analysis algorithms. Then coherent diffraction lithography by use of suitable mask, in which periodic micro-scale circular opaque patters were distributed, was realized on the traditional aligner. Due to coherent diffraction, we obtained enough light intensity for photoresist exposure under the center of the opaque area in the mask together with transparent areas. The tapered line profiles and hollow photoresist gratings over large areas could be fabricated on the silicon wafer after development. The dry etching process was carried out, and high aspect ratio silicon tubular gratings with deep tapered profiles at the top were fabricated. The optical property and wettability of the structure were verified, proving that the proposed method and obtained micro/nano structure provide application potential in the future.

Effect of Ar9+ irradiation on Zr-1Nb-1Sn-0.1Fe alloy characterized by Grazing Incidence X-ray diffraction technique

NASA Astrophysics Data System (ADS)

Dutta, Argha; Das, Kalipada; Gayathri, N.; Menon, Ranjini; Nabhiraj, P. Y.; Mukherjee, Paramita

2018-03-01

The microstructural parameters such as domain size and microstrain have been estimated from Grazing Incidence X-ray Diffraction (GIXRD) data for Ar9+ irradiated Zr-1Nb-1Sn-0.1Fe sample as a function of dpa (dose). Detail studies using X-ray Diffraction Line Profile Analysis (XRDLPA) from GIXRD data has been carried out to characterize the microstructural parameters like domain size and microstrain. The reorientation of the grains due to effect of irradiation at high dpa (dose) has been qualitatively assessed by the texture parameter P(hkl).

Investigation of the dependence of deformation mechanisms on solute content in polycrystalline Mg–Al magnesium alloys by neutron diffraction and acoustic emission

DOE PAGES

Mathis, Kristian; Capek, J.; Clausen, Bjorn; ...

2015-04-20

Influence of aluminium content on the deformation mechanisms in Mg–Al binary alloys has been studied using in-situ neutron diffraction and acoustic emission technique. Here, it is shown that the addition of the solute increases the critical resolved shear stress for twinning. Further, the role of aluminium on the solid solution hardening of the basal plane and softening of non-basal planes are discussed using results of the convolutional multiple peak profile analysis of diffraction patterns. In conclusion, the results indicate that the density of both prismatic and pyramidal dislocations increases with increasing alloying content.

Détermination du profil de modulation des réseaux holographiques de phase

NASA Astrophysics Data System (ADS)

Mechahougui, S.; Harthong, J.; Medjahed, A.

1993-12-01

The complete knowledge of the geometrical and physic-chemical parameters of a periodically modulated volume material, permits the determination of the diffraction picture. Such a purely mathematical and numerical determination is of great scientific and technological interest. The modulation profile (given by its Fourier coefficients) is one of these parameters. It can be determinated a posteriori only by the measurement of the different diffracted intensities at different orders. Starting from this idea, we can achieve a new method (theoritically exact) which permits the study of the diffraction of an electromagnetic plane wave by a dielectric grating. This method leads to the numerical treatment of ordinary differential equation with variable by periodic coefficients. The method is presented here for the classical case of a wave with electric polarization parallel to the grating. For the analysis of the modulation profile, we have considered realistic models of profiles, contrary to the current models, which have only a numerical existence. In order to achieve our experimental work, we have developed two experimental set-up: the first for the recording and the second for the analysis of diffractive elements. The whole set-up can be directed with the aid of a software from a personal computer. The validity of results are discussed. La connaissance parfaite des paramètres géométriques et physico-chimiques d'un matériau de volume modulé périodiquement, donne une bonne connaissance de la figure de diffraction. Celle-ci a une grande importance scientifique et technologique. Le profil de modulation (donné par ses coefficients de Fourier) est l'un de ces paramètres qui ne peut être déterminé a posteriori qu'à partir de la répartition d'intensité entre les différents ordres. A partir de cette idée, nous avons établi une méthode exacte permettant l'étude de la diffraction d'une onde plane électromagnétique par un réseau diélectrique, qui conduit au traitement numérique d'une équation différentielle à coefficients variables. La méthode est donnée pour le cas classique où le champ électrique est parallèle au plan du réseau. Pour analyser l'influence du profil de modulation, on considère des modèles mathématiques réalistes et non (comme il est courant dans la littérature) des modèles physiques irréalisables. Pour notre travail expérimental nous avons mis au point deux montages : le premier pour l'enregistrement et le second pour l'analyse. Ce dernier est totalement automatisé et piloté par un ordinateur. Les résultats obtenus sont largement discutés.

Integrated high-order surface diffraction gratings for diode lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolotarev, V V; Leshko, A Yu; Pikhtin, N A

2015-12-31

High-order surface diffraction gratings acting as a distributed Bragg reflector (DBR) in mesa stripe semiconductor lasers (λ = 1030 nm) have been studied theoretically and experimentally. Higher order interfering radiation modes (IRMs), which propagate off the plane of the waveguide, have been shown to have a crucial effect on the reflection and transmission spectra of the DBR. The decrease in the reflectivity of the DBR in response to the increase in the diffraction efficiency of these modes may reach 80% and more. According to theoretical analysis results, the intensity of the higher order IRMs is determined by the geometry ofmore » the DBR groove profile. Experimental data demonstrate that the noncavity modes are responsible for parasitic light leakage losses in the laser cavity. It has been shown that, in the case of nonoptimal geometry of the grating groove profile, the overall external differential quantum efficiency of the parasitic laser emission may exceed 45%, which is more than half of the laser output power. The optimal geometry of the DBR groove profile is trapezoidal, with the smallest possible lower base. Experimental evidence has been presented that this geometry considerably reduces the power of the higher order IRMs and minimises the parasitic light leakage loss. (lasers)« less

Profilometric characterization of DOEs with continuous microrelief

NASA Astrophysics Data System (ADS)

Korolkov, V. P.; Ostapenko, S. V.; Shimansky, R. V.

2008-09-01

Methodology of local characterization of continuous-relief diffractive optical elements has been discussed. The local profile depth can be evaluated using "approximated depth" defined without taking a profile near diffractive zone boundaries into account. Several methods to estimate the approximated depth have been offered.

Nondestructive strain depth profiling with high energy X-ray diffraction: System capabilities and limitations

NASA Astrophysics Data System (ADS)

Zhang, Zhan; Wendt, Scott; Cosentino, Nicholas; Bond, Leonard J.

2018-04-01

Limited by photon energy, and penetration capability, traditional X-ray diffraction (XRD) strain measurements are only capable of achieving a few microns depth due to the use of copper (Cu Kα1) or molybdenum (Mo Kα1) characteristic radiation. For deeper strain depth profiling, destructive methods are commonly necessary to access layers of interest by removing material. To investigate deeper depth profiles nondestructively, a laboratory bench-top high-energy X-ray diffraction (HEXRD) system was previously developed. This HEXRD method uses an industrial 320 kVp X-Ray tube and the Kα1 characteristic peak of tungsten, to produces a higher intensity X-ray beam which enables depth profiling measurement of lattice strain. An aluminum sample was investigated with deformation/load provided using a bending rig. It was shown that the HEXRD method is capable of strain depth profiling to 2.5 mm. The method was validated using an aluminum sample where both the HEXRD method and the traditional X-ray diffraction method gave data compared with that obtained using destructive etching layer removal, performed by a commercial provider. The results demonstrate comparable accuracy up to 0.8 mm depth. Nevertheless, higher attenuation capabilities in heavier metals limit the applications in other materials. Simulations predict that HEXRD works for steel and nickel in material up to 200 µm, but experiment results indicate that the HEXRD strain profile is not practical for steel and nickel material, and the measured diffraction signals are undetectable when compared to the noise.

Diffraction contrast near heterostructure boundaries--its nature and its application.

PubMed

Bangert, U; Harvey, A J

1993-03-01

Two phenomena of diffraction contrast arising at or near III-V compound heterostructure boundaries are described and quantitatively analyzed. In the first observation alpha/delta-fringe contrast at boundaries inclined to the electron beam is discussed. Theoretical fringe profiles are generated according to the theory by Gevers et al. in 1964, which are then compared with experimental profiles. Applications to the characterization of AlGaAs/GaAs and InGaAsP/InP interfaces regarding composition, abruptness, and lattice tilt are presented. In the second study a new and very sensitive characterization technique for the direct determination of the strain in strained-layer structures is described. The method uses electron microscope images of 90 degrees-wedges, which exhibit a shift in the thickness contours due to strain relaxation at the edge, and compares these to images which are obtained theoretically by implementing finite element strain calculations in wedges in the dynamical theory of diffraction contrast. The considerable potential of this method is demonstrated on the strain analysis of strained GaInAs/GaAs structures.

Comparative study on hydrostatic strain, stress and dislocation density of Al{sub 0.3}Ga{sub 0.7}N/GaN heterostructure before and after a-Si{sub 3}N{sub 4} passivation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dinara, Syed Mukulika, E-mail: smdinara.iit@gmail.com; Jana, Sanjay Kr.; Mukhopadhyay, Partha

2015-08-28

The hydrostatic strain, stress and dislocation densities were comparatively analyzed before and after passivation of amorphous silicon nitride (a-Si{sub 3}N{sub 4}) layer on Al{sub 0.3}Ga{sub 0.7}N/GaN heterostructure by nondestructive high resolution x-ray diffraction (HRXRD) technique. The crystalline quality, in-plane and out-of plane strain were evaluated from triple-axis (TA) (ω-2θ) diffraction profile across the (002) reflection plane and double-axis (DA) (ω-2θ) glancing incidence (GI) diffraction profile across (105) reflection plane. The hydrostatic strain and stress of Al{sub 0.3}Ga{sub 0.7}N barrier layer were increased significantly after passivation and both are tensile in nature. The dislocation density of GaN was also analyzed andmore » no significant change was observed after passivation of the heterostructure. The crystalline quality was not degraded after passivation on the heterostructure confirmed by the full-width-half-maximum (FWHM) analysis.« less

Diffractive optical elements for transformation of modes in lasers

DOEpatents

Sridharan, Arun K.; Pax, Paul H.; Heebner, John E.; Drachenberg, Derrek R.; Armstrong, James P.; Dawson, Jay W.

2015-09-01

Spatial mode conversion modules are described, with the capability of efficiently transforming a given optical beam profile, at one plane in space into another well-defined optical beam profile at a different plane in space, whose detailed spatial features and symmetry properties can, in general, differ significantly. The modules are comprised of passive, high-efficiency, low-loss diffractive optical elements, combined with Fourier transform optics. Design rules are described that employ phase retrieval techniques and associated algorithms to determine the necessary profiles of the diffractive optical components. System augmentations are described that utilize real-time adaptive optical techniques for enhanced performance as well as power scaling.

Diffractive optical elements for transformation of modes in lasers

DOEpatents

Sridharan, Arun K; Pax, Paul H; Heebner, John E; Drachenberg, Derrek R.; Armstrong, James P.; Dawson, Jay W.

2016-06-21

Spatial mode conversion modules are described, with the capability of efficiently transforming a given optical beam profile, at one plane in space into another well-defined optical beam profile at a different plane in space, whose detailed spatial features and symmetry properties can, in general, differ significantly. The modules are comprised of passive, high-efficiency, low-loss diffractive optical elements, combined with Fourier transform optics. Design rules are described that employ phase retrieval techniques and associated algorithms to determine the necessary profiles of the diffractive optical components. System augmentations are described that utilize real-time adaptive optical techniques for enhanced performance as well as power scaling.

Method of fabricating reflection-mode EUV diffraction elements

DOEpatents

Naulleau, Patrick P.

2002-01-01

Techniques for fabricating a well-controlled, quantized-level, engineered surface that serves as substrates for EUV reflection multilayer overcomes problems associated with the fabrication of reflective EUV diffraction elements. The technique when employed to fabricate an EUV diffraction element that includes the steps of: (a) forming an etch stack comprising alternating layers of first and second materials on a substrate surface where the two material can provide relative etch selectivity; (b) creating a relief profile in the etch stack wherein the relief profile has a defined contour; and (c) depositing a multilayer reflection film over the relief profile wherein the film has an outer contour that substantially matches that of the relief profile. For a typical EUV multilayer, if the features on the substrate are larger than 50 nm, the multilayer will be conformal to the substrate. Thus, the phase imparted to the reflected wavefront will closely match that geometrically set by the surface height profile.

Diffraction-analysis-based characterization of very fine gratings

NASA Astrophysics Data System (ADS)

Bischoff, Joerg; Truckenbrodt, Horst; Bauer, Joachim J.

1997-09-01

Fine gratings with spatial periods below one micron, either ruled mechanically or patterned holographically, play a key role as encoders in high precision translational or rotational coordinate or measuring machines. Besides, the fast in-line characterization of submicron patterns is a stringent demand in recent microelectronic technology. Thus, a rapid, destruction free and highly accurate measuring technique is required to ensure the quality during manufacturing and for final testing. We propose an optical method which was already successfully introduced in semiconductor industry. Here, the inverse scatter problem inherent in this diffraction based approach is overcome by sophisticated data analysis such as multivariate regression or neural networks. Shortly sketched, the procedure is as follows: certain diffraction efficiencies are measured with an optical angle resolved scatterometer and assigned to a number of profile parameters via data analysis (prediction). Before, the specific measuring model has to be calibrated. If the wavelength-to-period rate is well below unity, it is quite easy to gather enough diffraction orders. However, for gratings with spatial periods being smaller than the probing wavelength, merely the specular reflex will propagate for perpendicular incidence (zero order grating). Consequently, it is virtually impossible to perform a regression analysis. A proper mean to tackle this bottleneck is to record the zero-order reflex as a function of the incident angle. In this paper, the measurement of submicron gratings is discussed with the examples of 0.8, 1.0 and 1.4 micron period resist gratings on silicon, etched silicon oxide on silicon (same periods) and a 512 nm pitch chromium grating on quartz. Using a He-Ne laser with 633 nm wavelength and measuring the direct reflex in both linear polarizations, it is shown that even submicron patterning processes can be monitored and the resulting profiles with linewidths below a half micron can be characterized reliably with 2(theta) - scatterometry.

The measurement capabilities of cross-sectional profile of Nanoimprint template pattern using small angle x-ray scattering

NASA Astrophysics Data System (ADS)

Yamanaka, Eiji; Taniguchi, Rikiya; Itoh, Masamitsu; Omote, Kazuhiko; Ito, Yoshiyasu; Ogata, Kiyoshi; Hayashi, Naoya

2016-05-01

Nanoimprint lithography (NIL) is one of the most potential candidates for the next generation lithography for semiconductor. It will achieve the lithography with high resolution and low cost. High resolution of NIL will be determined by a high definition template. Nanoimprint lithography will faithfully transfer the pattern of NIL template to the wafer. Cross-sectional profile of the template pattern will greatly affect the resist profile on the wafer. Therefore, the management of the cross-sectional profile is essential. Grazing incidence small angle x-ray scattering (GI-SAXS) technique has been proposed as one of the method for measuring cross-sectional profile of periodic nanostructure pattern. Incident x-rays are irradiated to the sample surface with very low glancing angle. It is close to the critical angle of the total reflection of the x-ray. The scattered x-rays from the surface structure are detected on a two-dimensional detector. The observed intensity is discrete in the horizontal (2θ) direction. It is due to the periodicity of the structure, and diffraction is observed only when the diffraction condition is satisfied. In the vertical (β) direction, the diffraction intensity pattern shows interference fringes reflected to height and shape of the structure. Features of the measurement using x-ray are that the optical constant for the materials are well known, and it is possible to calculate a specific diffraction intensity pattern based on a certain model of the cross-sectional profile. The surface structure is estimated by to collate the calculated diffraction intensity pattern that sequentially while changing the model parameters with the measured diffraction intensity pattern. Furthermore, GI-SAXS technique can be measured an object in a non-destructive. It suggests the potential to be an effective tool for product quality assurance. We have developed a cross-sectional profile measurement of quartz template pattern using GI-SAXS technique. In this report, we will report the measurement capabilities of GI-SAXS technique as a cross-sectional profile measurement tool of NIL quartz template pattern.

Rietveld analysis of X-ray powder diffraction patterns as a potential tool for the identification of impact-deformed carbonate rocks

NASA Astrophysics Data System (ADS)

Huson, S. A.; Foit, F. F.; Watkinson, A. J.; Pope, M. C.

2009-12-01

Previous X-ray powder diffraction (XRD) studies revealed that shock deformed carbonates and quartz have broader XRD patterns than those of unshocked samples. Entire XRD patterns, single peak profiles and Rietveld refined parameters of carbonate samples from the Sierra Madera impact crater, west Texas, unshocked equivalent samples from 95 miles north of the crater and the Mission Canyon Formation of southwest Montana and western Wyoming were used to evaluate the use of X-ray powder diffraction as a potential tool for distinguishing impact deformed rocks from unshocked and tectonically deformed rocks. At Sierra Madera dolostone and limestone samples were collected from the crater rim (lower shock intensity) and the central uplift (higher shock intensity). Unshocked equivalent dolostone samples were collected from well cores drilled outside of the impact crater. Carbonate rocks of the Mission Canyon Formation were sampled along a transect across the tectonic front of the Sevier and Laramide orogenic belts. Whereas calcite subjected to significant shock intensities at the Sierra Madera impact crater can be differentiated from tectonically deformed calcite from the Mission Canyon Formation using Rietveld refined peak profiles, weakly shocked calcite from the crater rim appears to be indistinguishable from the tectonically deformed calcite. In contrast, Rietveld analysis readily distinguishes shocked Sierra Madera dolomite from unshocked equivalent dolostone samples from outside the crater and tectonically deformed Mission Canyon Formation dolomite.

Directional pair distribution function for diffraction line profile analysis of atomistic models

PubMed Central

Leonardi, Alberto; Leoni, Matteo; Scardi, Paolo

2013-01-01

The concept of the directional pair distribution function is proposed to describe line broadening effects in powder patterns calculated from atomistic models of nano-polycrystalline microstructures. The approach provides at the same time a description of the size effect for domains of any shape and a detailed explanation of the strain effect caused by the local atomic displacement. The latter is discussed in terms of different strain types, also accounting for strain field anisotropy and grain boundary effects. The results can in addition be directly read in terms of traditional line profile analysis, such as that based on the Warren–Averbach method. PMID:23396818

Structural, vibrational, thermal and optical studies of organic single crystal: Benzotriazolium p-toluene sulfonate (BTPTS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, R. Ramesh; Sathya, P.; Gopalakrishnan, R., E-mail: krgkrishnan@yahoo.com

Benzotriazolium p-toluene sulfonate (BTPTS) was grown by solution growth technique. The powder X-ray diffraction analysis was carried out to evaluate crystal system of the compound. LeBail Profile fitting analysis was performed to extract the individual peak intensities. FTIR spectrum analysis was recorded to study vibration frequencies of the prepared organic salt. Thermal studies were carried out using TG-DSC analysis. Optical absorption and energy band gap of the title compound was evaluated by UV-Vis spectral study.

Laser fabrication of diffractive optical elements based on detour-phase computer-generated holograms for two-dimensional Airy beams.

PubMed

Călin, Bogdan-Ştefăniţă; Preda, Liliana; Jipa, Florin; Zamfirescu, Marian

2018-02-20

We have designed, fabricated, and tested an amplitude diffractive optical element for generation of two-dimensional (2D) Airy beams. The design is based on a detour-phase computer-generated hologram. Using laser ablation of metallic films, we obtained a 2  mm×2  mm diffractive optical element with a pixel of 5  μm×5  μm and demonstrated a fast, cheap, and reliable fabrication process. This device can modulate 2D Airy beams or it can be used as a UV lithography mask to fabricate a series of phase holograms for higher energy efficiency. Tests according to the premise and an analysis of the transverse profile and propagation are presented.

Diffraction in volume reflection gratings with variable fringe contrast.

PubMed

Brotherton-Ratcliffe, David; Bjelkhagen, Hans; Osanlou, Ardeshir; Excell, Peter

2015-06-01

The PSM model is used to analyze the process of diffraction occurring in volume reflection gratings in which fringe contrast is an arbitrary function of distance within the grating. General analytic expressions for diffraction efficiency at Bragg resonance are obtained for unslanted panchromatic lossless reflection gratings at oblique incidence. These formulas are then checked for several diverse fringe contrast profiles with numerical solutions of the Helmholtz equation, where exceptionally good agreement is observed. Away from Bragg resonance, the case of the hyperbolically decaying fringe contrast profile is shown to lead to an analytic expression for the diffraction efficiency and this is again compared successfully with numerical solutions of the Helmholtz equation.

PVA/NaCl/MgO nanocomposites-microstructural analysis by whole pattern fitting method

NASA Astrophysics Data System (ADS)

Prashanth, K. S.; Mahesh, S. S.; Prakash, M. B. Nanda; Somashekar, R.; Nagabhushana, B. M.

2018-04-01

The nanofillers in the macromolecular matrix have displayed noteworthy changes in the structure and reactivity of the polymer nanocomposites. Novel functional materials usually consist of defects and are largely disordered. The intriguing properties of these materials are often attributed to defects. X-ray line profiles from powder diffraction reveal the quantitative information about size distribution and shape of diffracting domains which governs the contribution from small conventional X-ray diffraction (XRD) techniques to enumerate the microstructural information. In this study the MgO nanoparticles were prepared by solution combustion method and PVA/NaCl/MgO nanocomposite films were synthesized by the solvent cast method. Microstructural parameters viz crystal defects like stacking faults and twin faults, compositional inhomogeneity, crystallite size and lattice strain (g in %), were extracted using whole pattern fitting method.

Farbrication of diffractive optical elements on a Si chip by an imprint lithography using nonsymmetrical silicon mold

NASA Astrophysics Data System (ADS)

Hirai, Yoshihiko; Okano, Masato; Okuno, Takayuki; Toyota, Hiroshi; Yotsuya, Tsutomu; Kikuta, Hisao; Tanaka, Yoshio

2001-11-01

Fabrication of a fine diffractive optical element on a Si chip is demonstrated using imprint lithography. A chirped diffraction grating, which has modulated pitched pattern with curved cross section is fabricated by an electron beam lithography, where the exposure dose profile is automatically optimized by computer aided system. Using the resist pattern as an etching mask, anisotropic dry etching is performed to transfer the resist pattern profile to the Si chip. The etched Si substrate is used as a mold in the imprint lithography. The Si mold is pressed to a thin polymer (poly methyl methacrylate) on a Si chip. After releasing the mold, a fine diffractive optical pattern is successfully transferred to the thin polymer. This method is exceedingly useful for fabrication of integrated diffractive optical elements with electric circuits on a Si chip.

Models for Amorphous Calcium Carbonate

NASA Astrophysics Data System (ADS)

Sinha, Sourabh

Many species e.g. sea urchin form amorphous calcium carbonate (ACC) precursor phases that subsequently transform into crystalline CaCO3. It is certainly possible that the biogenic ACC might have more than 10 wt% Mg and ˜3 wt% of water. The structure of ACC and the mechanisms by which it transforms to crystalline phase are still poorly understood. In this dissertation our goal is to determine an atomic structure model that is consistent with diffraction and IR measurements of ACC. For this purpose a calcite supercell with 24 formula units, containing 120 atoms, was constructed. Various configurations with substitution of Ca by 6 Mg ions (6 wt.%) and insertion of 3-5 H 2O molecules (2.25-3.75 wt.%) in the interstitial positions of the supercell, were relaxed using a robust density function code VASP. The most noticeable effects were the tilts of CO3 groups and the distortion of Ca sub-lattice, especially in the hydrated case. The distributions of Ca-Ca nearest neighbor distance and CO3 tilts were extracted from various configurations. The same methods were also applied to aragonite. Sampling from the calculated distortion distributions, we built models for amorphous calcite/aragonite of size ˜ 1700 nm3 based on a multi-scale modeling scheme. We used these models to generate diffraction patterns and profiles with our diffraction code. We found that the induced distortions were not enough to generate a diffraction profile typical of an amorphous material. We then studied the diffraction profiles from several nano-crystallites as recent studies suggest that ACC might be a random array of nano-cryatallites. It was found that the generated diffraction profile from a nano-crystallite of size ˜ 2 nm3 is similar to that from the ACC.

Analysis of a Novel Diffractive Scanning Wire Beam Position Monitor (BPM) for Discriminative Profiling of Electron Vs. X Ray Beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tatchyn, Roman; /SLAC

2011-09-01

Recent numerical studies of Free Electron Lasers (FELs) operating in the Self Amplified Spontaneous Emission (SASE) regime indicate a large sensitivity of the gain to the degree of transverse overlap (and associated phase coherence) between the electron and photon beams traveling down the insertion device. Simulations of actual systems imply that accurate detection and correction for this relative loss of overlap, rather than correction for the absolute departure of the electron beam from a fixed axis, is the preferred function of an FEL amplifier's Beam Position Monitor (BPM) and corrector systems. In this note we propose a novel diffractive BPMmore » with the capability of simultaneously detecting and resolving the absolute (and relative) transverse positions and profiles of electron and x-ray beams co-propagating through an undulator. We derive the equations governing the performance of the BPM and examine its predicted performance for the SLAC Linac Coherent Light Source (LCLS), viz., for profiling multi-GeV electron bunches co-propagating with one-to-several-hundred keV x-ray beams. Selected research and development (r&d) tasks for fabricating and testing the proposed BPM are discussed.« less

Influence of Annealing on the Depth Microstructure of the Shot Peened Duplex Stainless Steel at Elevated Temperature

NASA Astrophysics Data System (ADS)

Feng, Qiang; She, Jia; Xiang, Yong; Wu, Xianyun; Wang, Chengxi; Jiang, Chuanhai

The depth profiles of residual stresses and lattice parameters in the surface layers of shot peened duplex stainless steel at elevated temperature were investigated utilizing X-ray diffraction analysis. At each deformation depth, residual stress distributions in both ferrite and austenite were studied by X-ray diffraction stress analysis which is performed on the basis of the sin2ψ method and the lattice parameters were explored by Rietveld method. The results reveal that difference changes of depth residual compressive stress profiles between ferrite and austenite under the same annealing condition are resulted from the diverse coefficient of thermal expansion, dislocation density, etc. for different phases in duplex stainless steel. The relaxations of depth residual stresses in austenite are more obvious than those in ferrite. The lattice parameters decrease in the surface layer with the extending of annealing time, however, they increase along the depth after annealing for 16min. The change of the depth lattice parameters can be ascribed to both thermal expansion and the relaxation of residual stress. The different changes of microstructure at elevated temperature between ferrite and austenite are discussed.

Performance improvements of wavelength-shifting-fiber neutron detectors using high-resolution positioning algorithms

DOE PAGES

Wang, C. L.

2016-05-17

On the basis of FluoroBancroft linear-algebraic method [S.B. Andersson, Opt. Exp. 16, 18714 (2008)] three highly-resolved positioning methods were proposed for wavelength-shifting fiber (WLSF) neutron detectors. Using a Gaussian or exponential-decay light-response function (LRF), the non-linear relation of photon-number profiles vs. x-pixels was linearized and neutron positions were determined. The proposed algorithms give an average 0.03-0.08 pixel position error, much smaller than that (0.29 pixel) from a traditional maximum photon algorithm (MPA). The new algorithms result in better detector uniformity, less position misassignment (ghosting), better spatial resolution, and an equivalent or better instrument resolution in powder diffraction than the MPA.more » Moreover, these characters will facilitate broader applications of WLSF detectors at time-of-flight neutron powder diffraction beamlines, including single-crystal diffraction and texture analysis.« less

Devices useful for vacuum ultraviolet beam characterization including a movable stage with a transmission grating and image detector

DOEpatents

Gessner, Oliver; Kornilov, Oleg A; Wilcox, Russell B

2013-10-29

The invention provides for a device comprising an apparatus comprising (a) a transmission grating capable of diffracting a photon beam into a diffracted photon output, and (b) an image detector capable of detecting the diffracted photon output. The device is useful for measuring the spatial profile and diffraction pattern of a photon beam, such as a vacuum ultraviolet (VUV) beam.

In situ electrochemical high-energy X-ray diffraction using a capillary working electrode cell geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Young, Matthias J.; Bedford, Nicholas M.; Jiang, Naisheng

The ability to generate new electrochemically active materials for energy generation and storage with improved properties will likely be derived from an understanding of atomic-scale structure/function relationships during electrochemical events. Here, the design and implementation of a new capillary electrochemical cell designed specifically forin situhigh-energy X-ray diffraction measurements is described. By increasing the amount of electrochemically active material in the X-ray path while implementing low-Zcell materials with anisotropic scattering profiles, an order of magnitude enhancement in diffracted X-ray signal over traditional cell geometries for multiple electrochemically active materials is demonstrated. This signal improvement is crucial for high-energy X-ray diffraction measurementsmore » and subsequent Fourier transformation into atomic pair distribution functions for atomic-scale structural analysis. As an example, clear structural changes in LiCoO 2under reductive and oxidative conditions using the capillary cell are demonstrated, which agree with prior studies. Accurate modeling of the LiCoO 2diffraction data using reverse Monte Carlo simulations further verifies accurate background subtraction and strong signal from the electrochemically active material, enabled by the capillary working electrode geometry.« less

Modulated Electron Emission by Scattering-Interference of Primary Electrons

NASA Astrophysics Data System (ADS)

Valeri, Sergio; di Bona, Alessandro

We review the effects of scattering-interference of the primary, exciting beam on the electron emission from ordered atomic arrays. The yield of elastically and inelastically backscattered electrons, Auger electrons and secondary electrons shows a marked dependence on the incidence angle of primary electrons. Both the similarity and the relative importance of processes experienced by incident and excident electrons are discussed. We also present recent studies of electron focusing and defocusing along atomic chains. The interplay between these two processes determines the in-depth profile of the primary electron intensity anisotropy. Finally, the potential for surface-structural studies and limits for quantitative analysis are discussed, in comparison with the Auger electron diffraction (AED) and photoelectron diffraction (PD) techniques.

An In-situ method for the study of strain broadening usingsynchrotronx-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Chiu C.; Lynch, Peter A.; Cheary, Robert W.

2006-12-15

A tensonometer for stretching metal foils has beenconstructed for the study of strain broadening in x-ray diffraction lineprofiles. This device, which is designed for use on the powderdiffractometer in Station 2.3 at Daresbury Laboratory, allows in-situmeasurements to be performed on samples under stress. It can be used fordata collection in either transmission or reflection modes using eithersymmetric or asymmetric diffraction geometries. As a test case,measurements were carried out on a 18mum thick copper foil experiencingstrain levels of up to 5 percent using both symmetric reflection andsymmetric transmission diffraction. All the diffraction profilesdisplayed peak broadening and asymmetry which increased with strain.more » Themeasured profiles were analysed by the fundamental parameters approachusing the TOPAS peak fitting software. All the observed broadenedprofiles were modelled by convoluting a refineable diffraction profile,representing the dislocation and crystallite size broadening, with afixed instrumental profile pre-determined usinghigh quality LaB6reference powder. The de-convolution process yielded "pure" sampleintegral breadths and asymmetry results which displayed a strongdependence on applied strain and increased almost linearly with appliedstrain. Assuming crystallite size broadening in combination withdislocation broadening arising from fcc a/2<110>111 dislocations,we have extracted the variation of mechanic al property with strain. Theobservation of both peak asymmetry and broadening has been interpreted asa manifestation of a cellular structure with cell walls and cellinteriors possessing high and low dislocation densities.« less

Static and Dynamical Structural Investigations of Metal-Oxide Nanocrystals by Powder X-ray Diffraction: Colloidal Tungsten Oxide as a Case Study

DOE PAGES

Caliandro, Rocco; Sibillano, Teresa; Belviso, B. Danilo; ...

2016-02-02

In this study, we have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO 3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO 3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtlemore » stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO 3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO 3-x NC lattice, rather than a variation in stoichiometry. Finally, the time behavior of such structural change is identified on the basis of multivariate analysis.« less

Microstructural characterization of high-manganese austenitic steels with different stacking fault energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sato, Shigeo, E-mail: s.sato@imr.tohoku.ac.jp; Kwon, Eui-Pyo; Imafuku, Muneyuki

Microstructures of tensile-deformed high-manganese austenitic steels exhibiting twinning-induced plasticity were analyzed by electron backscatter diffraction pattern observation and X-ray diffraction measurement to examine the influence of differences in their stacking fault energies on twinning activity during deformation. The steel specimen with the low stacking fault energy of 15 mJ/m{sup 2} had a microstructure with a high population of mechanical twins than the steel specimen with the high stacking fault energy (25 mJ/m{sup 2}). The <111> and <100> fibers developed along the tensile axis, and mechanical twinning occurred preferentially in the <111> fiber. The Schmid factors for slip and twinning deformationsmore » can explain the origin of higher twinning activity in the <111> fiber. However, the high stacking fault energy suppresses the twinning activity even in the <111> fiber. A line profile analysis based on the X-ray diffraction data revealed the relationship between the characteristics of the deformed microstructures and the stacking fault energies of the steel specimens. Although the variation in dislocation density with the tensile deformation is not affected by the stacking fault energies, the effect of the stacking fault energies on the crystallite size refinement becomes significant with a decrease in the stacking fault energies. Moreover, the stacking fault probability, which was estimated from a peak-shift analysis of the 111 and 200 diffractions, was high for the specimen with low stacking fault energy. Regardless of the difference in the stacking fault energies of the steel specimens, the refined crystallite size has a certain correlation with the stacking fault probability, indicating that whether the deformation-induced crystallite-size refinement occurs depends directly on the stacking fault probability rather than on the stacking fault energies in the present steel specimens. - Highlights: {yields} We studied effects of stacking fault energies on deformed microstructures of steels. {yields} Correlations between texture and occurrence of mechanical twinning are discussed. {yields} Evolutions of dislocations and crystallite are analyzed by line profile analysis.« less

Diffractive variable beam splitter: optimal design.

PubMed

Borghi, R; Cincotti, G; Santarsiero, M

2000-01-01

The analytical expression of the phase profile of the optimum diffractive beam splitter with an arbitrary power ratio between the two output beams is derived. The phase function is obtained by an analytical optimization procedure such that the diffraction efficiency of the resulting optical element is the highest for an actual device. Comparisons are presented with the efficiency of a diffractive beam splitter specified by a sawtooth phase function and with the pertinent theoretical upper bound for this type of element.

Structure and mechanical behavior of heavily drawn pearlite and martensite in a high carbon steel

NASA Astrophysics Data System (ADS)

Shiota, Y.; Tomota, Y.; Moriai, A.; Kamiyama, T.

2005-10-01

Neutron diffraction measurements have revealed that cementite peaks disappear in a pearlite steel with drawing and that the residual intergranular stresses are generated. The diffraction profiles in a heavily drawn specimen suggest the tetoragonality with a small c/a in the ferrite matrix. Although cementite was hardly observed in the heavily drawn specimen, its c/a value determined by neutron diffraction and mechanical behavior are quite different from those of as-quenched martensite. The changes in hardness and c/a with annealing or tempering were also different between heavily drawn pearlite and marteniste. Hence, most of carbon atoms do not exist inside the ferrite lattice in the drawn pearlite and multi-scaled heterogeneous plastic deformation in pearlite seems to affect the asymmetry in the diffraction profile. Fracture behavior and hardness change with tempering is different in the two microstructures.

Spectral diffraction efficiency characterization of broadband diffractive optical elements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Junoh; Cruz-Cabrera, Alvaro Augusto; Tanbakuchi, Anthony

Diffractive optical elements, with their thin profile and unique dispersion properties, have been studied and utilized in a number of optical systems, often yielding smaller and lighter systems. Despite the interest in and study of diffractive elements, the application has been limited to narrow spectral bands. This is due to the etch depths, which are optimized for optical path differences of only a single wavelength, consequently leading to rapid decline in efficiency as the working wavelength shifts away from the design wavelength. Various broadband diffractive design methodologies have recently been developed that improve spectral diffraction efficiency and expand the workingmore » bandwidth of diffractive elements. We have developed diffraction efficiency models and utilized the models to design, fabricate, and test two such extended bandwidth diffractive designs.« less

Defect ordering in YBa 2Cu 3O 6.5 and YBa 2Cu 3O 6.6: Synthesis and characterization by neutron and electron diffraction

NASA Astrophysics Data System (ADS)

Lin, Y. P.; Greedan, J. E.; O'Reilly, A. H.; Reimers, J. N.; Stager, C. V.; Post, M. L.

1990-02-01

Polycrystalline samples of YBa 2Cu 3O 6.5 and YBa 2Cu 3O 6.6 were prepared by oxygen titration of YBa 2 Cu 3O 6.0 at 450°C followed by slow cooling to room temperature. Both samples showed evidence for the a' = 2a supercell in individual grains by electron diffraction as reported previously. In addition the superlattice was observed in neutron powder diffraction indicating that the bulk material is also well ordered. In this study the YBa 2Cu 3O 6.6 phase showed longer correlation lengths for ordering along both a* and b* than YBa 2Cu 3O 6.5. For the former compound the powder-averaged, sample-averaged a* correlation distance is 26A˚from neutron diffraction. Analysis of electron diffraction profiles on selected single crystals give correlation lengths along a*, b*, and c* of 100, 200, and 50A˚, respectively. Dark field imaging discloses the presence of striped, ordered domains elongated along b* with a distribution of sizes. Both neutron diffraction and dark field imaging indicate that the volume fraction of the ordered domains is about 50%. A correlation is noted between the Meissner Effect and the extent of defect ordering in the bulk samples of the two phases.

Quick measurement of crystal truncation rod profiles in simultaneous multi-wavelength dispersive mode

NASA Astrophysics Data System (ADS)

Matsushita, T.; Takahashi, T.; Shirasawa, T.; Arakawa, E.; Toyokawa, H.; Tajiri, H.

2011-11-01

To conduct time-resolved measurements in the wide momentum transfer (q = 4π sinθ/λ, θ: the glancing angle of the x-ray beam, λ: x-ray wavelength) range of interest, we developed a method that can simultaneously measure the whole profile of x-ray diffraction and crystal truncation rod scattering of interest with no need of rotation of the specimen, detector, and monochromator crystal during the measurement. With a curved crystal polychromator (Si 111 diffraction), a horizontally convergent x-ray beam having a one-to-one correlation between wavelength (energy: 16.24-23.0 keV) and direction is produced. The convergent x-ray beam components of different wavelengths are incident on the specimen in a geometry where θ is the same for all the x-ray components and are diffracted within corresponding vertical scattering planes by a specimen ([GaAs(12ML)/AlAs(8 ML)]50 on GaAs(001) substrate) placed at the focal point. Although θ is the same for all the directions, q continuously varies because λ changes as a function of direction. The normalized horizontal intensity distribution across the beam, as measured using a two-dimensional pixel array detector downstream of the specimen, represents the reflectivity curve profile both near to and far from the Bragg point. As for the crystal truncation rod scattering around the 002 reflection, the diffraction profile from the Bragg peak down to reflectivity of 1.0 × 10-9 was measured with a sufficient data collection time (1000-2000 s). With data collection times of 100, 10, 1.0, and 0.1 s, profiles down to a reflectivity of ˜6 × 10-9, ˜2 × 10-8, ˜8 × 10-8, and ˜8 × 10-7 were measured, respectively. To demonstrate the time-resolving capability of the system, reflectivity curves were measured with time resolutions of 1.0 s while rotating the specimen. We have also measured the diffraction profile around the 113 reflection in the non-specular reflection geometry.

Diffractive Alvarez lens

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barton, Ian M.; Dixit, Sham N.; Summers, Leslie J.

2000-01-01

A diffractive Alvarez lens is demonstrated that consists of two separate phase plates, each having complementary 16-level surface-relief profiles that contain cubic phase delays. Translation of these two components in the plane of the phase plates is shown to produce a variable astigmatic focus. Both spherical and cylindrical phase profiles are demonstrated with good accuracy, and the discrete surface-relief features are shown to cause less than {lambda}/10 wave-front aberration in the transmitted wave front over a 40 mmx80 mm region. (c) 2000 Optical Society of America.

Adaptive imaging through far-field turbulence

NASA Astrophysics Data System (ADS)

Troxel, Steven E.; Welsh, Byron M.; Roggemann, Michael C.

1993-11-01

This paper presents a new method for calculating the field angle dependent average OTF of an adaptive optic system and compares this method to calculations based on geometric optics. Geometric optics calculations are shown to be inaccurate due to the diffraction effects created by far-field turbulence and the approximations made in the atmospheric parameters. Our analysis includes diffraction effects and properly accounts for the effect of the atmospheric turbulence scale sizes. We show that for any atmospheric C(superscript 2)(subscript n) profile, the actual OTF is always better than the OTF calculated using geometric optics. The magnitude of the difference between the calculation methods is shown to be dependent on the amount of far- field turbulence and the values of the outer scale dimension.

New test of the dynamic theory of neutron diffraction by a moving grating

NASA Astrophysics Data System (ADS)

Zakharov, Maxim; Frank, Alexander; Kulin, German; Goryunov, Semyon

2018-04-01

Recently, multiwave dynamical theory of neutron diffraction by a moving grating was developed. The theory predicts that at a certain height of the grating profile a significant suppression of the zero-order diffraction may occur. The experiment to confirm predictions of this theory was performed. The resulting diffracted UCNs spectra were measured using time-of-flight Fourier diffractometer. The experimental data were compared with the results of numerical simulation and were found in a good agreement with theoretical predictions.

Nonlinear electrostrictive lattice response of EuTiO3

NASA Astrophysics Data System (ADS)

Pappas, P.; Calamiotou, M.; Köhler, J.; Bussmann-Holder, A.; Liarokapis, E.

2017-07-01

An epitaxial EuTiO3 (ETO) film grown on the SrTiO3 substrate was studied at room temperature with synchrotron XRD and in situ application of an electric field (nominally up to 7.8 kV/cm) in near grazing incidence geometry, in order to monitor the response of the lattice to the field. 2D diffraction images show that apparently misoriented coherently diffracting domains are present close to the surface whereas the film diffracts more as a single crystal towards the interface. Diffraction intensity profiles recorded from the near surface region of the EuTiO3 film showed systematic modifications upon the application of the electric field, indicating that at a critical electric field (nominally above 3.1 kV/cm), there is a clear change in the lattice response to the field, which was much stronger when the field was almost parallel to the diffraction vector. The data suggest that the ETO film, nominally paraelectric at room temperature, transforms under the application of a critical electric field to piezoelectric in agreement with a theoretical analysis based on a double-well potential. In order to exclude effects arising from the substrate, this has been investigated separately and shown not to be affected by the field.

An Optimized Table-Top Small-Angle X-ray Scattering Set-up for the Nanoscale Structural Analysis of Soft Matter

NASA Astrophysics Data System (ADS)

Sibillano, T.; de Caro, L.; Altamura, D.; Siliqi, D.; Ramella, M.; Boccafoschi, F.; Ciasca, G.; Campi, G.; Tirinato, L.; di Fabrizio, E.; Giannini, C.

2014-11-01

The paper shows how a table top superbright microfocus laboratory X-ray source and an innovative restoring-data algorithm, used in combination, allow to analyze the super molecular structure of soft matter by means of Small Angle X-ray Scattering ex-situ experiments. The proposed theoretical approach is aimed to restore diffraction features from SAXS profiles collected from low scattering biomaterials or soft tissues, and therefore to deal with extremely noisy diffraction SAXS profiles/maps. As biological test cases we inspected: i) residues of exosomes' drops from healthy epithelial colon cell line and colorectal cancer cells; ii) collagen/human elastin artificial scaffolds developed for vascular tissue engineering applications; iii) apoferritin protein in solution. Our results show how this combination can provide morphological/structural nanoscale information to characterize new artificial biomaterials and/or to get insight into the transition between healthy and pathological tissues during the progression of a disease, or to morphologically characterize nanoscale proteins, based on SAXS data collected in a room-sized laboratory.

Diffractive shear interferometry for extreme ultraviolet high-resolution lensless imaging

NASA Astrophysics Data System (ADS)

Jansen, G. S. M.; de Beurs, A.; Liu, X.; Eikema, K. S. E.; Witte, S.

2018-05-01

We demonstrate a novel imaging approach and associated reconstruction algorithm for far-field coherent diffractive imaging, based on the measurement of a pair of laterally sheared diffraction patterns. The differential phase profile retrieved from such a measurement leads to improved reconstruction accuracy, increased robustness against noise, and faster convergence compared to traditional coherent diffractive imaging methods. We measure laterally sheared diffraction patterns using Fourier-transform spectroscopy with two phase-locked pulse pairs from a high harmonic source. Using this approach, we demonstrate spectrally resolved imaging at extreme ultraviolet wavelengths between 28 and 35 nm.

Luminescent properties under X-ray excitation of Ba(1-x)PbxWO4 disordered solid solution

NASA Astrophysics Data System (ADS)

Bakiz, B.; Hallaoui, A.; Taoufyq, A.; Benlhachemi, A.; Guinneton, F.; Villain, S.; Ezahri, M.; Valmalette, J.-C.; Arab, M.; Gavarri, J.-R.

2018-02-01

A series of polycrystalline barium-lead tungstate Ba1-xPbxWO4 with 0 ≤ x ≤ 1 was synthesized using a classical solid-state method with thermal treatment at 1000 °C. These materials were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier Transform Raman (FT-Raman) spectroscopy. X-ray diffraction profile analyses were performed using Rietveld method. These materials crystallized in the scheelite tetragonal structure and behaved as quasi ideal solid solution. Raman spectroscopy confirmed the formation of the solid solution. Structural distortions were evidenced in X-ray diffraction profiles and in vibration Raman spectra. The scanning electron microscopy experiments showed large and rounded irregular grains. Luminescence experiments were performed under X-ray excitation. The luminescence emission profiles have been interpreted in terms of four Gaussian components, with a major contribution of blue emission. The integrated intensity of luminescence reached a maximum value in the composition range x = 0.3-0.6, in relation with distortions of crystal lattice.

Application of Mythen detector: In-situ XRD study on the thermal expansion behavior of metal indium

NASA Astrophysics Data System (ADS)

Du, Rong; Chen, ZhongJun; Cai, Quan; Fu, JianLong; Gong, Yu; Wu, ZhongHua

2016-07-01

A Mythen detector has been equipped at the beamline 4B9A of Beijing Synchrotron Radiation Facility (BSRF), which is expected to enable BSRF to perform time-resolved measurement of X-ray diffraction (XRD) full-profiles. In this paper, the thermal expansion behavior of metal indium has been studied by using the in-situ XRD technique with the Mythen detector. The indium was heated from 303 to 433 K with a heating rate of 2 K/min. The in-situ XRD full-profiles were collected with a rate of one profile per 10 seconds. Rietveld refinement was used to extract the structural parameters. The results demonstrate that these collected quasi-real-time XRD profiles can be well used for structural analysis. The metal indium was found to have a nonlinear thermal expansion behavior from room temperature to the melting point (429.65 K). The a-axis of the tetragonal unit cell expands with a biquadratic dependency on temperature, while the c-axis contracts with a cubic dependency on temperature. By the time-resolved XRD measurements, it was observed that the [200] preferred orientation can maintain to about 403.15 K. While (110) is the last and detectable crystal plane just before melting of the polycrystalline indium foil. This study is not only beneficial to the application of metal indium, but also exhibits the capacity of in-situ time-resolved XRD measurements at the X-ray diffraction station of BSRF.

Size distribution of magnetic iron oxide nanoparticles using Warren-Averbach XRD analysis

NASA Astrophysics Data System (ADS)

Mahadevan, S.; Behera, S. P.; Gnanaprakash, G.; Jayakumar, T.; Philip, J.; Rao, B. P. C.

2012-07-01

We use the Fourier transform based Warren-Averbach (WA) analysis to separate the contributions of X-ray diffraction (XRD) profile broadening due to crystallite size and microstrain for magnetic iron oxide nanoparticles. The profile shape of the column length distribution, obtained from WA analysis, is used to analyze the shape of the magnetic iron oxide nanoparticles. From the column length distribution, the crystallite size and its distribution are estimated for these nanoparticles which are compared with size distribution obtained from dynamic light scattering measurements. The crystallite size and size distribution of crystallites obtained from WA analysis are explained based on the experimental parameters employed in preparation of these magnetic iron oxide nanoparticles. The variation of volume weighted diameter (Dv, from WA analysis) with saturation magnetization (Ms) fits well to a core shell model wherein it is known that Ms=Mbulk(1-6g/Dv) with Mbulk as bulk magnetization of iron oxide and g as magnetic shell disorder thickness.

Performance improvements of binary diffractive structures via optimization of the photolithography and dry etch processes

NASA Astrophysics Data System (ADS)

Welch, Kevin; Leonard, Jerry; Jones, Richard D.

2010-08-01

Increasingly stringent requirements on the performance of diffractive optical elements (DOEs) used in wafer scanner illumination systems are driving continuous improvements in their associated manufacturing processes. Specifically, these processes are designed to improve the output pattern uniformity of off-axis illumination systems to minimize degradation in the ultimate imaging performance of a lithographic tool. In this paper, we discuss performance improvements in both photolithographic patterning and RIE etching of fused silica diffractive optical structures. In summary, optimized photolithographic processes were developed to increase critical dimension uniformity and featuresize linearity across the substrate. The photoresist film thickness was also optimized for integration with an improved etch process. This etch process was itself optimized for pattern transfer fidelity, sidewall profile (wall angle, trench bottom flatness), and across-wafer etch depth uniformity. Improvements observed with these processes on idealized test structures (for ease of analysis) led to their implementation in product flows, with comparable increases in performance and yield on customer designs.

Ultrafast structural dynamics of boron nitride nanotubes studied using transmitted electrons.

PubMed

Li, Zhongwen; Sun, Shuaishuai; Li, Zi-An; Zhang, Ming; Cao, Gaolong; Tian, Huanfang; Yang, Huaixin; Li, Jianqi

2017-09-14

We investigate the ultrafast structural dynamics of multi-walled boron nitride nanotubes (BNNTs) upon femtosecond optical excitation using ultrafast electron diffraction in a transmission electron microscope. Analysis of the time-resolved (100) and (002) diffraction profiles reveals highly anisotropic lattice dynamics of BNNTs, which can be attributed to the distinct nature of the chemical bonds in the tubular structure. Moreover, the changes in (002) diffraction positions and intensities suggest that the lattice response of BNNTs to the femtosecond laser excitation involves a fast and a slow lattice dynamic process. The fast process with a time constant of about 8 picoseconds can be understood to be a result of electron-phonon coupling, while the slow process with a time constant of about 100 to 300 picoseconds depending on pump laser fluence is tentatively associated with an Auger recombination effect. In addition, we discuss the power-law relationship of a three-photon absorption process in the BNNT nanoscale system.

Residual stress analysis of energy-dispersive diffraction data using a two-detector setup: Part I - Theoretical concept

NASA Astrophysics Data System (ADS)

Apel, Daniel; Meixner, Matthias; Liehr, Alexander; Klaus, Manuela; Degener, Sebastian; Wagener, Guido; Franz, Christian; Zinn, Wolfgang; Genzel, Christoph; Scholtes, Berthold

2018-01-01

A new goniometer setup for energy-dispersive X-ray diffraction is introduced which is based on simultaneous data acquisition with two detectors D1 and D2, both of them freely movable in a horizontal as well as in a vertical plane. From the multitude of measurement configurations that can be realised with this setup, we figured out three efficient concepts which aim at the fast analysis of residual stress depth profiles by combining the diffraction data gathered with the two detectors. The characteristic feature of the first two configurations consists in the vertical (horizontal) positioning of the first (second) detector, which results in a diffraction geometry where the two scattering vectors span a plane that coincides with the X-circle used for sample tilt. Because each detector does see the sample under another viewing angle, both the positive and the negative ψ-branch are covered by just one χ-tilt between 0°and 90°(configuration 1) and 0°and 60°(configuration 2), thus allowing for the simultaneous analysis of the in- and out-of-plane residual stress depth gradients σii(τ) and σi3(τ) (i = 1 , 2), respectively, from data sets dD1hkl(χ) and dD2hkl(χ). The third configuration introduced in this paper is based on a ϕ-rotation of the sample under a constant tilt angle χ and enables a fast and reliable tracing of shear stress fields σi3(τ) (i = 1, 2).

Energy balance in apodized diffractive multifocal intaocular lenses

NASA Astrophysics Data System (ADS)

Alba-Bueno, Francisco; Vega, Fidel; Millán, María S.

2011-08-01

The energy distribution between the distance and near images formed in a model eye by three different apodized diffractive multifocal intraocular lenses (IOLs) is experimentally determined in an optical bench. The model eye has an artificial cornea with positive spherical aberration (SA) similar to human cornea. The level of SA upon the IOL, which is pupil size dependent, is controlled using a Hartmann-Shack wave sensor. The energy of the distance and near images as a function of the pupil size is experimentally obtained from image analysis. All three IOLs have the same base refractive power (20D) but different designs (aspheric, spherical) and add powers (+4.0 D, +3.0 D). The results show that in all the cases, the energy efficiency of the distance image decreases for large pupils, in contrast with the theoretical and simulated results that only consider the diffractive profile of the lens. As for the near image, since the diffractive zone responsible for the formation of this image has the same apodization factor in the spherical and aspheric lenses and the apertures involved are small (and so the level of SA), the results turn out to be similar for all the three IOL designs.

A laboratory based system for laue micro x-ray diffraction.

PubMed

Lynch, P A; Stevenson, A W; Liang, D; Parry, D; Wilkins, S; Tamura, N

2007-02-01

A laboratory diffraction system capable of illuminating individual grains in a polycrystalline matrix is described. Using a microfocus x-ray source equipped with a tungsten anode and prefigured monocapillary optic, a micro-x-ray diffraction system with a 10 microm beam was developed. The beam profile generated by the ellipsoidal capillary was determined using the "knife edge" approach. Measurement of the capillary performance, indicated a beam divergence of 14 mrad and a useable energy bandpass from 5.5 to 19 keV. Utilizing the polychromatic nature of the incident x-ray beam and application of the Laue indexing software package X-Ray Micro-Diffraction Analysis Software, the orientation and deviatoric strain of single grains in a polycrystalline material can be studied. To highlight the system potential the grain orientation and strain distribution of individual grains in a polycrystalline magnesium alloy (Mg 0.2 wt % Nd) was mapped before and after tensile loading. A basal (0002) orientation was identified in the as-rolled annealed alloy; after tensile loading some grains were observed to undergo an orientation change of 30 degrees with respect to (0002). The applied uniaxial load was measured as an increase in the deviatoric tensile strain parallel to the load axis.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tregillis, Ian Lee

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 onmore » 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.« less

Measurement of 3D refractive index distribution by optical diffraction tomography

NASA Astrophysics Data System (ADS)

Chi, Weining; Wang, Dayong; Wang, Yunxin; Zhao, Jie; Rong, Lu; Yuan, Yuanyuan

2018-01-01

Optical Diffraction Tomography (ODT), as a novel 3D imaging technique, can obtain a 3D refractive index (RI) distribution to reveal the important optical properties of transparent samples. According to the theory of ODT, an optical diffraction tomography setup is built based on the Mach-Zehnder interferometer. The propagation direction of object beam is controlled by a 2D translation stage, and 121 holograms based on different illumination angles are recorded by a Charge-coupled Device (CCD). In order to prove the validity and accuracy of the ODT, the 3D RI profile of microsphere with a known RI is firstly measured. An iterative constraint algorithm is employed to improve the imaging accuracy effectively. The 3D morphology and average RI of the microsphere are consistent with that of the actual situation, and the RI error is less than 0.0033. Then, an optical element fabricated by laser with a non-uniform RI is taken as the sample. Its 3D RI profile is obtained by the optical diffraction tomography system.

A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials

DOE PAGES

Iamsasri, Thanakorn; Guerrier, Jonathon; Esteves, Giovanni; ...

2017-02-01

A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr 0.3Ti 0.7O 3and a bulk commercial PZT polycrystalline ferroelectric. Here, the new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.

Step-induced deconstruction and step-height evolution of the Au(110) surface

NASA Astrophysics Data System (ADS)

Romahn, U.; von Blanckenhagen, P.; Kroll, C.; Göpel, W.

1993-05-01

We use temperature-dependent high-resolution low-energy electron diffraction and spot-profile analysis low-energy electron diffraction to study the Au(110) surface at room temperature up to 786 K. The experimental data were analyzed within the framework of the kinematic theory. Oscillations were determined of the positions of half order and fundamental Bragg peaks as well as of the full width at half maximum of the specular peak as a function of perpendicular momentum transfer. Evidence of mono- atomic steps occurring in the [001] direction was found below and around the (2×1)-->(1×1) transition at Tc. Above Tc, the surface gets smoother in the [001] direction; at the roughening temperature, TR, the evolution of multiple-height steps starts in both symmetry directions.

Nanobelt formation of magnesium hydroxide sulfate hydrate via a soft chemistry process.

PubMed

Zhou, Zhengzhi; Sun, Qunhui; Hu, Zeshan; Deng, Yulin

2006-07-13

The nanobelt formation of magnesium hydroxide sulfate hydrate (MHSH) via a soft chemistry approach using carbonate salt and magnesium sulfate as reactants was successfully demonstrated. X-ray diffraction (XRD), energy dispersion X-ray spectra (EDS), selected area electron diffraction (SAED), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) analysis revealed that the MHSH nanobelts possessed a thin belt structure (approximately 50 nm in thickness) and a rectangular cross profile (approximately 200 nm in width). The MHSH nanobelts suffered decomposition under electron beam irradiation during TEM observation and formed MgO with the pristine nanobelt morphology preserved. The formation process of the MHSH nanobelts was studied by tracking the morphology of the MHSH nanobelts during the reaction. A possible chemical reaction mechanism is proposed.

Preliminary X-ray diffraction analysis of a thermophilic β-1,3-1,4-glucanase from Clostridium thermocellum.

PubMed

Zhang, Lilan; Zhao, Puya; Chen, Chun-Chi; Huang, Chun-Hsiang; Ko, Tzu-Ping; Zheng, Yingying; Guo, Rey-Ting

2014-07-01

β-1,3-1,4-Glucanases catalyze the specific hydrolysis of internal β-1,4-glycosidic bonds adjacent to the 3-O-substituted glucose residues in mixed-linked β-glucans. The thermophilic glycoside hydrolase CtGlu16A from Clostridium thermocellum exhibits superior thermal profiles, high specific activity and broad pH adaptability. Here, the catalytic domain of CtGlu16A was expressed in Escherichia coli, purified and crystallized in the trigonal space group P3121, with unit-cell parameters a=b=74.5, c=182.9 Å, by the sitting-drop vapour-diffusion method and diffracted to 1.95 Å resolution. The crystal contains two protein molecules in an asymmetric unit. Further structural determination and refinement are in progress.

A new theory for X-ray diffraction.

PubMed

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.

Beam propagation factor based on the Rényi entropy.

PubMed

Vaveliuk, Pablo; da Silva, Marcone Lopes

2008-09-15

A beam width measure based on Rényi entropy was introduced by Luis [Opt. Lett 31, 3644 (2006)]. That one-dimensional analysis was limited to beam profiles with rectangular symmetry. In this Letter, we derive a general Rényi beam width measure that accounts for the diffraction properties of beams with profiles of arbitrary symmetry. We also show that the square of this measure has a quadratic dependence as a function of the propagation coordinate, so that it can be applied to propagation through arbitrary ABCD paraxial systems. The Rényi beam propagation factor, here introduced, is discussed in examples where the M(2) factor seems to have a limited effectiveness in describing the beam spreading.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brummer, Gordie, E-mail: gbrummer@bu.edu; Photonics Center, Boston University, Boston, Massachusetts 02215; Nothern, Denis

Distributed Bragg reflectors (DBRs) with peak reflectivity at approximately 280 nm, based on compositionally graded Al{sub x}Ga{sub 1−x}N alloys, were grown on 6H-SiC substrates by plasma-assisted molecular beam epitaxy. DBRs with square, sinusoidal, triangular, and sawtooth composition profiles were designed with the transfer matrix method. The crystal structure of these DBRs was studied with high-resolution x-ray diffraction of the (1{sup ¯}015) reciprocal lattice point. The periodicity of the DBR profiles was confirmed with cross-sectional Z-contrast scanning transmission electron microscopy. The peak reflectance of these DBRs with 15.5 periods varies from 77% to 56% with corresponding full width at half maximum ofmore » 17–14 nm. Coupled mode analysis was used to explain the dependence of the reflectivity characteristics on the profile of the graded composition.« less

La méthode des coordonnées curvilignes appliquée à la diffraction par des réseaux dont le profil est donné par des équations paramétriques: application à la diffraction par un réseau cycloïdal The method of curvilinear coordinates applied to the problem of scattering from surface-relief gratings defined by parametric equations: application to scattering from a cycloidal grating

NASA Astrophysics Data System (ADS)

Granet, Gérard; Chandezon, Jean

1997-11-01

The method of curvilinear coordinates is formulated using the coordinate transformations given by parametric equations. As an illustration, a translation coordinate system and a relaxation coordinate system are used to calculate the reflectivities of various cycloidal profiles. We show, with this example, that parametric coordinate systems permit one to handle profiles that previously had been out of reach owing to their sharpness.

Trapezoidal diffraction grating beam splitters in single crystal diamond

NASA Astrophysics Data System (ADS)

Kiss, Marcell; Graziosi, Teodoro; Quack, Niels

2018-02-01

Single Crystal Diamond has been recognized as a prime material for optical components in high power applications due to low absorption and high thermal conductivity. However, diamond microstructuring remains challenging. Here, we report on the fabrication and characterization of optical diffraction gratings exhibiting a symmetric trapezoidal profile etched into a single crystal diamond substrate. The optimized grating geometry diffracts the transmitted optical power into precisely defined proportions, performing as an effective beam splitter. We fabricate our gratings in commercially available single crystal CVD diamond plates (2.6mm x 2.6mm x 0.3mm). Using a sputter deposited hard mask and patterning by contact lithography, the diamond is etched in an inductively coupled oxygen plasma with zero platen power. The etch process effectively reveals the characteristic {111} diamond crystal planes, creating a precisely defined angled (54.7°) profile. SEM and AFM measurements of the fabricated gratings evidence the trapezoidal shape with a pitch of 3.82μm, depth of 170 nm and duty cycle of 35.5%. Optical characterization is performed in transmission using a 650nm laser source perpendicular to the sample. The recorded transmitted optical power as function of detector rotation angle shows a distribution of 21.1% in the 0th order and 23.6% in each +/-1st order (16.1% reflected, 16.6% in higher orders). To our knowledge, this is the first demonstration of diffraction gratings with trapezoidal profile in single crystal diamond. The fabrication process will enable beam splitter gratings of custom defined optical power distribution profiles, while antireflection coatings can increase the efficiency.

Relations for lipid bilayers. Connection of electron density profiles to other structural quantities.

PubMed Central

Nagle, J F; Wiener, M C

1989-01-01

Three relations are derived that connect low angle diffraction/scattering results obtained from lipid bilayers to other structural quantities of interest. The first relates the area along the surface of the bilayer, the measured specific volume, and the zeroth order structure factor, F(0). The second relates the size of the trough in the center of the electron density profile, the volume of the terminal methyl groups, and the volume of the methylene groups in the fatty acid chains. The third relates the size of the headgroup electron density peak, the volume of the headgroup, and the volumes of water and hydrocarbon in the headgroup region. These relations, which are easily modified for neutron diffraction, are useful for obtaining structural quantities from electron density profiles obtained by fitting model profiles to measured low angle x-ray intensities. PMID:2713444

Effect of radiation induced crosslinking and degradation of ETFE films

NASA Astrophysics Data System (ADS)

Zen, H. A.; Ribeiro, G.; Geraldes, A. N.; Souza, C. P.; Parra, D. F.; Lugão, A. B.

2013-03-01

In this study the ETFE film with 125 μm of thickness was placed inside a nylon bag and filled with either acetylene, nitrogen or oxygen. Following the procedure, the samples were irradiated at 5, 10 and 20 kGy. The physical and chemical properties of the modified and pristine films were evaluated by rheological and thermal analyses (TG and DSC), X-ray diffraction (XRD) and infrared spectroscopy (IR-ATR). In rheological analysis the storage modulus (G') indicates opposite profiles when the atmospheres (acetylene and oxygen) are evaluated according to the absorbed dose. For the samples submitted to radiation under oxygen atmosphere it is possible to observe the degradation process with the low levels of the storage modulus. The changes in the degree of crystallinity were verified in all modified samples when compared to the pristine polymer and this behavior was confirmed by DSC analysis. A decrease in the intensity of crystalline peak by X-ray diffraction was observed.

On the possibility of using polycrystalline material in the development of structure-based generic assays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allaire, Marc, E-mail: allaire@bnl.gov; Moiseeva, Natalia; Botez, Cristian E.

The correlation coefficients calculated between raw powder diffraction profiles can be used to identify ligand-bound/unbound states of lysozyme. The discovery of ligands that bind specifically to a targeted protein benefits from the development of generic assays for high-throughput screening of a library of chemicals. Protein powder diffraction (PPD) has been proposed as a potential method for use as a structure-based assay for high-throughput screening applications. Building on this effort, powder samples of bound/unbound states of soluble hen-egg white lysozyme precipitated with sodium chloride were compared. The correlation coefficients calculated between the raw diffraction profiles were consistent with the known bindingmore » properties of the ligands and suggested that the PPD approach can be used even prior to a full description using stereochemically restrained Rietveld refinement.« less

Ambiguities and completeness of SAS data analysis: investigations of apoferritin by SAXS/SANS EID and SEC-SAXS methods

NASA Astrophysics Data System (ADS)

Zabelskii, D. V.; Vlasov, A. V.; Ryzhykau, Yu L.; Murugova, T. N.; Brennich, M.; Soloviov, D. V.; Ivankov, O. I.; Borshchevskiy, V. I.; Mishin, A. V.; Rogachev, A. V.; Round, A.; Dencher, N. A.; Büldt, G.; Gordeliy, V. I.; Kuklin, A. I.

2018-03-01

The method of small angle scattering (SAS) is widely used in the field of biophysical research of proteins in aqueous solutions. Obtaining low-resolution structure of proteins is still a highly valuable method despite the advances in high-resolution methods such as X-ray diffraction, cryo-EM etc. SAS offers the unique possibility to obtain structural information under conditions close to those of functional assays, i.e. in solution, without different additives, in the mg/mL concentration range. SAS method has a long history, but there are still many uncertainties related to data treatment. We compared 1D SAS profiles of apoferritin obtained by X-ray diffraction (XRD) and SAS methods. It is shown that SAS curves for X-ray diffraction crystallographic structure of apoferritin differ more significantly than it might be expected due to the resolution of the SAS instrument. Extrapolation to infinite dilution (EID) method does not sufficiently exclude dimerization and oligomerization effects and therefore could not guarantee total absence of dimers account in the final SAS curve. In this study, we show that EID SAXS, EID SANS and SEC-SAXS methods give complementary results and when they are used all together, it allows obtaining the most accurate results and high confidence from SAS data analysis of proteins.

Quantitative phase analysis and microstructure characterization of magnetite nanocrystals obtained by microwave assisted non-hydrolytic sol–gel synthesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sciancalepore, Corrado, E-mail: corrado.sciancalepore@unimore.it; Bondioli, Federica; INSTM Consortium, Via G. Giusti 9, 51121 Firenze

2015-02-15

An innovative preparation procedure, based on microwave assisted non-hydrolytic sol–gel synthesis, to obtain spherical magnetite nanoparticles was reported together with a detailed quantitative phase analysis and microstructure characterization of the synthetic products. The nanoparticle growth was analyzed as a function of the synthesis time and was described in terms of crystallization degree employing the Rietveld method on the magnetic nanostructured system for the determination of the amorphous content using hematite as internal standard. Product crystallinity increases as the microwave thermal treatment is increased and reaches very high percentages for synthesis times longer than 1 h. Microstructural evolution of nanocrystals wasmore » followed by the integral breadth methods to obtain information on the crystallite size-strain distribution. The results of diffraction line profile analysis were compared with nanoparticle grain distribution estimated by dimensional analysis of the transmission electron microscopy (TEM) images. A variation both in the average grain size and in the distribution of the coherently diffraction domains is evidenced, allowing to suppose a relationship between the two quantities. The traditional integral breadth methods have proven to be valid for a rapid assessment of the diffraction line broadening effects in the above-mentioned nanostructured systems and the basic assumption for the correct use of these methods are discussed as well. - Highlights: • Fe{sub 3}O{sub 4} nanocrystals were obtained by MW-assisted non-hydrolytic sol–gel synthesis. • Quantitative phase analysis revealed that crystallinity up to 95% was reached. • The strategy of Rietveld refinements was discussed in details. • Dimensional analysis showed nanoparticles ranging from 4 to 8 nm. • Results of integral breadth methods were compared with microscopic analysis.« less

Proton irradiation studies on Al and Al5083 alloy

NASA Astrophysics Data System (ADS)

Bhattacharyya, P.; Gayathri, N.; Bhattacharya, M.; Gupta, A. Dutta; Sarkar, Apu; Dhar, S.; Mitra, M. K.; Mukherjee, P.

2017-10-01

The change in the microstructural parameters and microhardness values in 6.5 MeV proton irradiated pure Al and Al5083 alloy samples have been evaluated using different model based techniques of X-ray diffraction Line Profile Analysis (XRD) and microindendation techniques. The detailed line profile analysis of the XRD data showed that the domain size increases and saturates with irradiation dose both in the case of Al and Al5083 alloy. The corresponding microstrain values did not show any change with irradiation dose in the case of the pure Al but showed an increase at higher irradiation doses in the case of Al5083 alloy. The microindendation results showed that unirradiated Al5083 alloy has higher hardness value compared to that of unirradiated pure Al. The hardness increased marginally with irradiation dose in the case of Al5083, whereas for pure Al, there was no significant change with dose.

Correlated high-resolution x-ray diffraction photoluminescence and atom probe tomography analysis of continuous and discontinuous In xGa 1-xN quantum wells

DOE PAGES

Ren, Xiaochen; Riley, James R.; Koleske, Daniel; ...

2015-07-14

In this study, atom probe tomography (APT) is used to characterize the influence of hydrogen dosing duringGaN barrier growth on the indium distribution of In xGa 1-xN quantum wells, and correlatedmicro-photoluminescence is used to measure changes in the emission spectrum and efficiency. We found that relative to the control growth, hydrogen dosing leads to a 50% increase in emission intensity arising from discontinuous quantum wells that are narrower, of lower indium content, and with more abrupt interfaces. Additionally, simulations of carrier distributions based on APT composition profiles indicate that the greater carrier confinement leads to an increased radiative recombination rate.more » Furthermore, APT analysis of quantum well profiles enables refinement of x-ray diffractionanalysis for more accurate nondestructive measurements of composition.« less

Atomic Ferris wheel beams

NASA Astrophysics Data System (ADS)

Lembessis, Vasileios E.

2017-07-01

We study the generation of atom vortex beams in the case where a Bose-Einstein condensate, released from a trap and moving in free space, is diffracted from a properly tailored light mask with a spiral transverse profile. We show how such a diffraction scheme could lead to the production of an atomic Ferris wheel beam.

Control of interface reactions in SIC/TI composites

NASA Technical Reports Server (NTRS)

Houska, C. R.; Rao, V.

1982-01-01

The reaction between a 0.5 to 1.0 Al film and a thick Ti substrate to form TiAl3 occurs very rapidly on heating to 635 C and causes the Al to be confined to the surface region. After heating to 900 C Ti3Al is formed with little release of Al into alpha Ti. Further annealing at 900 C eventually causes the Ti3Al phase to decompose and a substantial amount of Al is released into alpha Ti. The interdiffusion coefficient for Al in alpha Ti at 900 C increases by less than one order of magnitude as Al is varied from 0 to 20 at %. These data were obtained from the (101) X-ray diffraction intensity band using polycrystalline samples. Improvements in the analysis of X-ray diffraction data for the determination of composition profiles are discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Meimei; Wang, Leyun; Almer, Jonathan D.

Deformation processes in Grade 91 (Fe–9%Cr–1%Mo–V,Nb) and Grade 92 (Fe–9%Cr–0.5%Mo–2%W–V,Nb) ferritic–martensitic steels were investigated at temperatures between 20 and 650 °C using high-energy synchrotron X-ray diffraction with in situ thermal–mechanical loading. The change of the dislocation density with strain was quantified by X-ray diffraction line profile analysis complemented by transmission electron microscopy measurements. The relationship between dislocation density and strain during uniform deformation was described by a dislocation model, and two critical materials parameters, namely dislocation mean free path and dynamic recovery coefficient, were determined as a function of temperature. Effects of alloy chemistry, thermal–mechanical treatment and temperature on themore » tensile deformation process in Grade 91 and Grade 92 steels can be well understood by the dislocation evolution behavior.« less

X-ray investigation of cross-breed silk in cocoon, yarn and fabric forms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radhalakshmi, Y. C.; Kariappa,; Siddaraju, G. N.

2012-06-05

Recently Central Sericulture Research and Training Institute, Mysore developed many improved cross breeds and bivoltine hybrids. Newly developed cross breeds recorded fibre characteristics which are significantly superior over existing control hybrids. This aspect has been investigated using X-ray diffraction technique. We have employed line profile analysis to compute microstructural parameters. These parameters are compared with physical parameters of newly developed cross breed silk fibers for a better understanding of structure-property relation in these samples.

A new theory for X-ray diffraction

PubMed Central

Fewster, Paul F.

2014-01-01

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. PMID:24815975

A laser beam quality definition based on induced temperature rise.

PubMed

Miller, Harold C

2012-12-17

Laser beam quality metrics like M(2) can be used to describe the spot sizes and propagation behavior of a wide variety of non-ideal laser beams. However, for beams that have been diffracted by limiting apertures in the near-field, or those with unusual near-field profiles, the conventional metrics can lead to an inconsistent or incomplete description of far-field performance. This paper motivates an alternative laser beam quality definition that can be used with any beam. The approach uses a consideration of the intrinsic ability of a laser beam profile to heat a material. Comparisons are made with conventional beam quality metrics. An analysis on an asymmetric Gaussian beam is used to establish a connection with the invariant beam propagation ratio.

RBS Depth Profiling Analysis of (Ti, Al)N/MoN and CrN/MoN Multilayers.

PubMed

Han, Bin; Wang, Zesong; Devi, Neena; Kondamareddy, K K; Wang, Zhenguo; Li, Na; Zuo, Wenbin; Fu, Dejun; Liu, Chuansheng

2017-12-01

(Ti, Al)N/MoN and CrN/MoN multilayered films were synthesized on Si (100) surface by multi-cathodic arc ion plating system with various bilayer periods. The elemental composition and depth profiling of the films were investigated by Rutherford backscattering spectroscopy (RBS) using 2.42 and 1.52 MeV Li 2+ ion beams and different incident angles (0°, 15°, 37°, and 53°). The microstructures of (Ti, Al)N/MoN multilayered films were evaluated by X-ray diffraction. The multilayer periods and thickness of the multilayered films were characterized by scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HR-TEM) and then compared with RBS results.

Q-space analysis of light scattering by ice crystals

NASA Astrophysics Data System (ADS)

Heinson, Yuli W.; Maughan, Justin B.; Ding, Jiachen; Chakrabarti, Amitabha; Yang, Ping; Sorensen, Christopher M.

2016-12-01

Q-space analysis is applied to extensive simulations of the single-scattering properties of ice crystals with various habits/shapes over a range of sizes. The analysis uncovers features common to all the shapes: a forward scattering regime with intensity quantitatively related to the Rayleigh scattering by the particle and the internal coupling parameter, followed by a Guinier regime dependent upon the particle size, a complex power law regime with incipient two dimensional diffraction effects, and, in some cases, an enhanced backscattering regime. The effects of significant absorption on the scattering profile are also studied. The overall features found for the ice crystals are similar to features in scattering from same sized spheres.

Three-Dimensional Model of Holographic Formation of Inhomogeneous PPLC Diffraction Structures

NASA Astrophysics Data System (ADS)

Semkin, A. O.; Sharangovich, S. N.

2018-05-01

A three-dimensional theoretical model of holographic formation of inhomogeneous diffraction structures in composite photopolymer - liquid crystal materials is presented considering both the nonlinearity of recording and the amplitude-phase inhomogeneity of the recording light field. Based on the results of numerical simulation, the kinematics of formations of such structures and their spatial profile are investigated.

Design and fabrication of continuous-profile diffractive micro-optical elements as a beam splitter.

PubMed

Feng, Di; Yan, Yingbai; Jin, Guofan; Fan, Shoushan

2004-10-10

An optimization algorithm that combines a rigorous electromagnetic computation model with an effective iterative method is utilized to design diffractive micro-optical elements that exhibit fast convergence and better design quality. The design example is a two-dimensional 1-to-2 beam splitter that can symmetrically generate two focal lines separated by 80 microm at the observation plane with a small angle separation of +/- 16 degrees. Experimental results are presented for an element with continuous profiles fabricated into a monocrystalline silicon substrate that has a width of 160 microm and a focal length of 140 microm at a free-space wavelength of 10.6 microm.

Photoelectrochemical fabrication of spectroscopic diffraction gratings, phase 2

NASA Technical Reports Server (NTRS)

Rauh, R. David; Carrabba, Michael M.; Li, Jianguo; Cartland, Robert F.; Hachey, John P.; Mathew, Sam

1990-01-01

This program was directed toward the production of Echelle diffraction gratings by a light-driven, electrochemical etching technique (photoelectrochemical etching). Etching is carried out in single crystal materials, and the differential rate of etching of the different crystallographic planes used to define the groove profiles. Etching of V-groove profiles was first discovered by us during the first phase of this project, which was initially conceived as a general exploration of photoelectrochemical etching techniques for grating fabrication. This highly controllable V-groove etching process was considered to be of high significance for producing low pitch Echelles, and provided the basis for a more extensive Phase 2 investigation.

Synchronous scattering and diffraction from gold nanotextured surfaces with structure factors

NASA Astrophysics Data System (ADS)

Gu, Min-Jhong; Lee, Ming-Tsang; Huang, Chien-Hsun; Wu, Chi-Chun; Chen, Yu-Bin

2018-05-01

Synchronous scattering and diffraction were demonstrated using reflectance from gold nanotextured surfaces at oblique (θi = 15° and 60°) incidence of wavelength λ = 405 nm. Two samples of unique auto-correlation functions were cost-effectively fabricated. Multiple structure factors of their profiles were confirmed with Fourier expansions. Bi-directional reflectance function (BRDF) from these samples provided experimental proofs. On the other hand, standard deviation of height and unique auto-correlation function of each sample were used to generate surfaces numerically. Comparing their BRDF with those of totally random rough surfaces further suggested that structure factors in profile could reduce specular reflection more than totally random roughness.

Retrieving cirrus microphysical properties from stellar aureoles

NASA Astrophysics Data System (ADS)

DeVore, J. G.; Kristl, J. A.; Rappaport, S. A.

2013-06-01

The aureoles around stars caused by thin cirrus limit nighttime measurement opportunities for ground-based astronomy, but can provide information on high-altitude ice crystals for climate research. In this paper we attempt to demonstrate quantitatively how this works. Aureole profiles can be followed out to ~0.2° from stars and ~0.5° from Jupiter. Interpretation of diffracted starlight is similar to that for sunlight, but emphasizes larger particles. Stellar diffraction profiles are very distinctive, typically being approximately flat out to a critical angle followed by gradually steepening power-law falloff with slope less steep than -3. Using the relationship between the phase function for diffraction and the average Fourier transform of the projected area of complex ice crystals, we show that defining particle size in terms of average projected area normal to the propagation direction of the starlight leads to a simple, analytic approximation representing large-particle diffraction that is nearly independent of crystal habit. A similar analytic approximation for the diffraction aureole allows it to be separated from the point spread function and the sky background. Multiple scattering is deconvolved using the Hankel transform leading to the diffraction phase function. Application of constrained numerical inversion to the phase function then yields a solution for the particle size distribution in the range between ~50 μm and ~400 μm. Stellar aureole measurements can provide one of the very few, as well as least expensive, methods for retrieving cirrus microphysical properties from ground-based observations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Caliandro, Rocco; Sibillano, Teresa; Belviso, B. Danilo

In this study, we have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO 3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO 3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtlemore » stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO 3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO 3-x NC lattice, rather than a variation in stoichiometry. Finally, the time behavior of such structural change is identified on the basis of multivariate analysis.« less

Enhancement of two dimensional electron gas concentrations due to Si{sub 3}N{sub 4} passivation on Al{sub 0.3}Ga{sub 0.7}N/GaN heterostructure: strain and interface capacitance analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dinara, Syed Mukulika, E-mail: smdinara.iit@gmail.com; Jana, Sanjay Kr.; Ghosh, Saptarsi

2015-04-15

Enhancement of two dimensional electron gas (2DEG) concentrations at Al{sub 0.3}Ga{sub 0.7}N/GaN hetero interface after a-Si{sub 3}N{sub 4} (SiN) passivation has been investigated from non-destructive High Resolution X-ray Diffraction (HRXRD) analysis, depletion depth and capacitance-voltage (C-V) profile measurement. The crystalline quality and strained in-plane lattice parameters of Al{sub 0.3}Ga{sub 0.7}N and GaN were evaluated from double axis (002) symmetric (ω-2θ) diffraction scan and double axis (105) asymmetric reciprocal space mapping (DA RSM) which revealed that the tensile strain of the Al{sub 0.3}Ga{sub 0.7}N layer increased by 15.6% after SiN passivation. In accordance with the predictions from theoretical solution of Schrödinger-Poisson’smore » equations, both electrochemical capacitance voltage (ECV) depletion depth profile and C-V characteristics analyses were performed which implied effective 9.5% increase in 2DEG carrier density after passivation. The enhancement of polarization charges results from increased tensile strain in the Al{sub 0.3}Ga{sub 0.7}N layer and also due to the decreased surface states at the interface of SiN/Al{sub 0.3}Ga{sub 0.7}N layer, effectively improving the carrier confinement at the interface.« less

Computer Generated Diffraction Patterns Of Rough Surfaces

NASA Astrophysics Data System (ADS)

Rakels, Jan H.

1989-03-01

It is generally accepted, that optical methods are the most promising for the in-process measurement of surface finish. These methods have the advantages of being non-contacting and fast data acquisition. In the Micro-Engineering Centre at the University of Warwick, an optical sensor has been devised which can measure the rms roughness, slope and wavelength of turned and precision ground surfaces. The operation of this device is based upon the Kirchhoff-Fresnel diffraction integral. Application of this theory to ideal turned surfaces is straightforward, and indeed the theoretically calculated diffraction patterns are in close agreement with patterns produced by an actual optical instrument. Since it is mathematically difficult to introduce real surface profiles into the diffraction integral, a computer program has been devised, which simulates the operation of the optical sensor. The program produces a diffraction pattern as a graphical output. Comparison between computer generated and actual diffraction patterns of the same surfaces show a high correlation.

Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl 4Si 2 and CeIrAl 4Si 2

DOE PAGES

Ghimire, N. J.; Calder, S.; Janoschek, M.; ...

2015-06-01

In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl 4Si 2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions T N1 and T N2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition T N2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl 4Si 2 and CeIrAl 4Si 2 were determined to be 1.14(2) and 1.41(3) μB/Ce,more » respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.« less

Understanding self ion damage in FCC Ni-Cr-Fe based alloy using X-ray diffraction techniques

NASA Astrophysics Data System (ADS)

Halder Banerjee, R.; Sengupta, P.; Chatterjee, A.; Mishra, S. C.; Bhukta, A.; Satyam, P. V.; Samajdar, I.; Dey, G. K.

2018-04-01

Using X-ray diffraction line profile analysis (XRDLPA) approach the radiation response of FCC Ni-Cr-Fe based alloy 690 to 1.5 and 3 MeV Ni2+ ion damage was quantified in terms of its microstructural parameters. These microstructural parameters viz. average domain size, microstrain and dislocation density were found to vary anisotropically with fluence. The anisotropic behaviour is mainly attributable to presence of twins in pre-irradiated microstructure. After irradiation, surface roughness increases as a function of fluence attributable to change in surface and sub-surface morphology caused by displacement cascade, defects and sputtered atoms created by incident energetic ion. The radiation hardening in case of 1.5 MeV Ni2+ irradiated specimens too is a consequence of the increase in dislocation density formed by interaction of radiation induced defects with pre-existing dislocations. At highest fluence there is an initiation of saturation.

Microstructural analysis in the depth direction of a heteroepitaxial AlN thick film grown on a trench-patterned template by nanobeam X-ray diffraction

NASA Astrophysics Data System (ADS)

Shida, K.; Takeuchi, S.; Tohei, T.; Miyake, H.; Hiramatsu, K.; Sumitani, K.; Imai, Y.; Kimura, S.; Sakai, A.

2018-04-01

This work quantitatively assessed the three-dimensional distribution of crystal lattice distortions in an epitaxial AlN thick film grown on a trench-patterned template, using nanobeam X-ray diffraction. Position-dependent ω-2θ-φ mapping clearly demonstrated local tilting, spacing and twisting of lattice planes as well as fluctuations in these phenomena on a sub-micrometer scale comparable to the pitch of the trench-and-terrace patterning. Analysis of the crystal lattice distortion in the depth direction was performed using a newly developed method in which the X-ray nanobeam diffracted from the sample surface to specific depths can be selectively detected by employing a Pt wire profiler. This technique generated depth-resolved ω-2θ-φ maps confirming that fluctuations in lattice plane tilting and spacing greatly depend on the dislocation distribution and the history of the AlN epitaxial growth on the trench-patterned structure. It was also found that both fluctuations were reduced on approaching the AlN surface and, in particular, were sharply reduced at specific depths in the terrace regions. These sharp reductions are attributed to the formation of sacrificial zones with degraded crystal quality around the trenches and possibly lead to raising the crystal quality near the surface of the AlN film.

The Crystal Structure of Illite/Smectite.

DTIC Science & Technology

1988-04-04

summarized from Tellier and Reynolds (1987). Figure 3 shows a comparison between experimental and calculated diffraction patterns for the ethylene glycol...PUBLICATIONS Tellier . K. and Reynolds, R. C. (1987) Calculation of one-dimensional X-ray diffraction profiles of interstratified illite/smectite as...Abst.) 24th Annual fMeet Clay Min. Soc., Socorro, N. M., p. 115 PARTICIPATING SCIENTIFIC PERSONNEL Kathleen Tellier : Dept. of Earth Sciences

Zone-boundary optimization for direct laser writing of continuous-relief diffractive optical elements.

PubMed

Korolkov, Victor P; Nasyrov, Ruslan K; Shimansky, Ruslan V

2006-01-01

Enhancing the diffraction efficiency of continuous-relief diffractive optical elements fabricated by direct laser writing is discussed. A new method of zone-boundary optimization is proposed to correct exposure data only in narrow areas along the boundaries of diffractive zones. The optimization decreases the loss of diffraction efficiency related to convolution of a desired phase profile with a writing-beam intensity distribution. A simplified stepped transition function that describes optimized exposure data near zone boundaries can be made universal for a wide range of zone periods. The approach permits a similar increase in the diffraction efficiency as an individual-pixel optimization but with fewer computation efforts. Computer simulations demonstrated that the zone-boundary optimization for a 6 microm period grating increases the efficiency by 7% and 14.5% for 0.6 microm and 1.65 microm writing-spot diameters, respectively. The diffraction efficiency of as much as 65%-90% for 4-10 microm zone periods was obtained experimentally with this method.

Coherent diffraction surface imaging in reflection geometry.

PubMed

Marathe, Shashidhara; Kim, S S; Kim, S N; Kim, Chan; Kang, H C; Nickles, P V; Noh, D Y

2010-03-29

We present a reflection based coherent diffraction imaging method which can be used to reconstruct a non periodic surface image from a diffraction amplitude measured in reflection geometry. Using a He-Ne laser, we demonstrated that a surface image can be reconstructed solely from the reflected intensity from a surface without relying on any prior knowledge of the sample object or the object support. The reconstructed phase image of the exit wave is particularly interesting since it can be used to obtain quantitative information of the surface depth profile or the phase change during the reflection process. We believe that this work will broaden the application areas of coherent diffraction imaging techniques using light sources with limited penetration depth.

X-ray μ-Laue diffraction analysis of Cu through-silicon vias: A two-dimensional and three-dimensional study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanchez, Dario Ferreira; Weleguela, Monica Larissa Djomeni; Audoit, Guillaume

2014-10-28

Here, white X-ray μ-beam Laue diffraction is developed and applied to investigate elastic strain distributions in three-dimensional (3D) materials, more specifically, for the study of strain in Cu 10 μm diameter–80 μm deep through-silicon vias (TSVs). Two different approaches have been applied: (i) two-dimensional μ-Laue scanning and (ii) μ-beam Laue tomography. 2D μ-Laue scans provided the maps of the deviatoric strain tensor integrated along the via length over an array of TSVs in a 100 μm thick sample prepared by Focused Ion Beam. The μ-beam Laue tomography analysis enabled to obtain the 3D grain and elemental distribution of both Cu and Si. Themore » position, size (about 3 μm), shape, and orientation of Cu grains were obtained. Radial profiles of the equivalent deviatoric strain around the TSVs have been derived through both approaches. The results from both methods are compared and discussed.« less

The commensurate-to-incommensurate phase transition of an organic monolayer: A high resolution LEED analysis of the superstructures of NTCDA on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Kilian, L.; Stahl, U.; Kossev, I.; Sokolowski, M.; Fink, R.; Umbach, E.

2008-07-01

The structural order of 1,4,9,10-naphthalene-tetracarboxylicacid-dianhydride (NTCDA) monolayers on Ag(1 1 1) has been investigated by spot profile analysis low energy electron diffraction (SPA-LEED). For increasing coverage, we find a sequence of three highly ordered structures: a commensurate structure (α), a uniaxially incommensurate structure (α 2), and an incommensurate structure (β) with coverages of 0.9 ML, 0.95 ML, and 1 (saturated) monolayer (ML), respectively. In the high coverage regime, the structures coexist and a coverage increase causes a change of their relative fractions. The α and β structures were known before [U. Stahl, D. Gador, A. Soukopp, R. Fink, E. Umbach, Surf. Sci. 414 (1998) 423], but the β structure was proposed as commensurate, since its very small misfit with respect to a commensurate structure could not be resolved. This misfit leads to a periodic modulation, causing additional Moiré satellites in the diffraction pattern. This finding demonstrates the importance of high resolution methods for the geometry determination of large organic adsorbates.

Error analysis in inverse scatterometry. I. Modeling.

PubMed

Al-Assaad, Rayan M; Byrne, Dale M

2007-02-01

Scatterometry is an optical technique that has been studied and tested in recent years in semiconductor fabrication metrology for critical dimensions. Previous work presented an iterative linearized method to retrieve surface-relief profile parameters from reflectance measurements upon diffraction. With the iterative linear solution model in this work, rigorous models are developed to represent the random and deterministic or offset errors in scatterometric measurements. The propagation of different types of error from the measurement data to the profile parameter estimates is then presented. The improvement in solution accuracies is then demonstrated with theoretical and experimental data by adjusting for the offset errors. In a companion paper (in process) an improved optimization method is presented to account for unknown offset errors in the measurements based on the offset error model.

Improved Properties of Pb Based BLZT Ferroelectric Ceramics

NASA Astrophysics Data System (ADS)

Kumar, Parveen; Singh, Sangeeta; Juneja, J. K.; Raina, K. K.; Prakash, Chandra

2011-11-01

Present report is concerning with investigation of effect of different sintering profiles on Pb based BLZT ceramics. The material powder of selected composition (Ba0.795La0.005Pb0.20Ti0.90Zr0.10O3) was prepared by solid state reaction route and then powder was compacted in the form of circular discs. The discs were then sintered at different temperatures (1325 °C for 4h, 1325 °C for 15min+1200 °C for 4h). Improved dielectric and ferroelectric properties were observed for samples sintered at 1200 °C. Shifting in Tc to higher temperature could be related to enhanced tetragonality, which was further confirmed by X-ray diffraction analysis. All these improvements evidences that there is less Pb loss in case of modified sintering profile.

Near-surface structure of the Central Scandinavian Caledonides in northern Trøndelag, Norway, from correlation of seismic and MT profiles using gravity and magnetic data

NASA Astrophysics Data System (ADS)

Ebbing, J.; Goerigk, L.; Nasuti, A.; Roberts, D.; Korja, T. J.; Smirnov, M.

2014-12-01

The deep geology of northern Trøndelag is somewhat speculative as the Central Scandinavian Caledonides are intersected by the Møre-Trøndelag Fault Complex (MTFC) and only a few depth-penetrating geophysical profiles exist. Here, we correlate the mapped geological units and faults between a seismic-reflection profile and a MT profile. The seismic-reflection data were acquired in 5 segments over the period 1986-1990. The westernmost section of the seismic profile is dominated by a complex pattern of reflections and diffractions. This type of pattern is typical of polydeformed terranes with a mixture of contrasting felsic and mafic lithologies. The two steeply-dipping strands of the MTFC (Hitra-Snåsa and Verran faults) that transect the profile do not show any distinctive signature in the seismic data. The MT data were acquired in 2007 from the Swedish border to the Norwegian coast. The conductivity profile shows some distinct vertical changes as well as changes from the near-surface to shallow depths. The strands of the MTFC show especially a distinctive change in conductivity. The two profiles are almost parallel but separated by 100 km. To correlate the structures seen on both profiles, we have applied lineament analysis and 3D modelling of the gravity and magnetic field. The tilt derivative of the magnetic and isostatic gravity anomaly clearly allows us to identify and link the main geological boundaries between the profiles and to trace the strands of the MTFC from one profile to the other. This trend analysis indicates that at least the Verran Fault visibly modifies the pattern of seismic reflections. However, the main change in crustal lithology occurs farther to the west, almost at the coast where the Tarva Fault intersects the MT profile. This integrated analysis shows the benefit of combining gravity and magnetic interpretations with MT and seismic data to enable us to understand the near-surface geology and structure in more detail.

Optical diffraction properties of multimicrogratings

DOE PAGES

Rothenbach, Christian A.; Kravchenko, Ivan I.; Gupta, Mool C.

2015-02-27

This paper shows the results of optical diffraction properties of multimicrograting structures fabricated by e-beam lithography. Multimicrograting consist of arrays of hexagonally shaped cells containing periodic one-dimensional (1D) grating lines in different orientations and arrayed to form large area patterns. We analyzed the optical diffraction properties of multimicrogratings by studying the individual effects of the several periodic elements of multimicrogratings. The observed optical diffraction pattern is shown to be the combined effect of the periodic and non-periodic elements that define the multimicrogratings and the interaction between different elements. We measured the total transverse electric (TE) diffraction efficiency of multimicrogratings andmore » found it to be 32.1%, which is closely related to the diffraction efficiency of 1D periodic grating lines of the same characteristics, measured to be 33.7%. Beam profiles of the optical diffraction patterns from multimicrogratings are captured with a CCD sensor technique. Interference fringes were observed under certain conditions formed by multimicrograting beams interfering with each other. Finally, these diffraction structures may find applications in sensing, nanometrology, and optical interconnects.« less

Williamson-Hall analysis and optical properties of small sized ZnO nanocrystals

NASA Astrophysics Data System (ADS)

Kalita, Amarjyoti; Kalita, Manos P. C.

2017-08-01

We apply Williamson-Hall (WH) method of X-ray diffraction (XRD) line profile analysis for lattice strain estimation of small sized ZnO nanocrystals (crystallite size≈4 nm). The ZnO nanocrystals are synthesized by room temperature chemical co-precipitation followed by heating at 40 °C. Zinc acetate, sodium hydroxide and 2-mercaptoethanol (ME) are used for the synthesis of the nanocrystals. {100}, {002}, {101} and {200}, {112}, {201} line profiles in the XRD pattern are significantly merged, therefore determination of the full width at half maximum values and peak positions of the line profiles required for WH analysis has been carried out by executing Rietveld refinement of the XRD pattern. Lattice strain of the 4 nm sized ZnO nanocrystals is found to be 5.8×10-3 which is significantly higher as compared to the literature reported values for larger ones (crystallite size≈17-47 nm). Role of ME as capping agent is confirmed by Fourier transform infrared spectroscopy. The band gap of the nanocrystals is determined from the UV-Visible absorption spectrum and is found to be 3.68 eV. The photoluminescence spectrum exhibits emissions in the visible (408 nm-violet, 467 nm-blue and 538 nm-green) regions showing presence of zinc interstitial and oxygen vacancy in the ZnO nanocrystals.

Frequency mismatch in stimulated scattering processes: An important factor for the transverse distribution of scattered light

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Tao; Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang, Sichuan 621900; Zheng, Jian, E-mail: jzheng@ustc.edu.cn

2016-06-15

A 2D cylindrically symmetric model with inclusion of both diffraction and self-focus effects is developed to deal with the stimulated scattering processes of a single hotspot. The calculated results show that the transverse distribution of the scattered light is sensitive to the longitudinal profiles of the plasma parameters. The analysis of the evolution of the scattered light indicates that it is the frequency mismatch of coupling due to the inhomogeneity of plasmas that determines the transverse distribution of the scattered light.

Statistical Nature of Atomic Disorder in Irradiated Crystals.

PubMed

Boulle, A; Debelle, A

2016-06-17

Atomic disorder in irradiated materials is investigated by means of x-ray diffraction, using cubic SiC single crystals as a model material. It is shown that, besides the determination of depth-resolved strain and damage profiles, x-ray diffraction can be efficiently used to determine the probability density function (PDF) of the atomic displacements within the crystal. This task is achieved by analyzing the diffraction-order dependence of the damage profiles. We thereby demonstrate that atomic displacements undergo Lévy flights, with a displacement PDF exhibiting heavy tails [with a tail index in the γ=0.73-0.37 range, i.e., far from the commonly assumed Gaussian case (γ=2)]. It is further demonstrated that these heavy tails are crucial to account for the amorphization kinetics in SiC. From the retrieved displacement PDFs we introduce a dimensionless parameter f_{D}^{XRD} to quantify the disordering. f_{D}^{XRD} is found to be consistent with both independent measurements using ion channeling and with molecular dynamics calculations.

Statistical Nature of Atomic Disorder in Irradiated Crystals

NASA Astrophysics Data System (ADS)

Boulle, A.; Debelle, A.

2016-06-01

Atomic disorder in irradiated materials is investigated by means of x-ray diffraction, using cubic SiC single crystals as a model material. It is shown that, besides the determination of depth-resolved strain and damage profiles, x-ray diffraction can be efficiently used to determine the probability density function (PDF) of the atomic displacements within the crystal. This task is achieved by analyzing the diffraction-order dependence of the damage profiles. We thereby demonstrate that atomic displacements undergo Lévy flights, with a displacement PDF exhibiting heavy tails [with a tail index in the γ =0.73 - 0.37 range, i.e., far from the commonly assumed Gaussian case (γ =2 )]. It is further demonstrated that these heavy tails are crucial to account for the amorphization kinetics in SiC. From the retrieved displacement PDFs we introduce a dimensionless parameter fDXRD to quantify the disordering. fDXRD is found to be consistent with both independent measurements using ion channeling and with molecular dynamics calculations.

Method and system for homogenizing diode laser pump arrays

DOEpatents

Bayramian, Andrew James

2016-05-03

An optical amplifier system includes a diode pump array including a plurality of semiconductor diode laser bars disposed in an array configuration and characterized by a periodic distance between adjacent semiconductor diode laser bars. The periodic distance is measured in a first direction perpendicular to each of the plurality of semiconductor diode laser bars. The diode pump array provides a pump output propagating along an optical path and characterized by a first intensity profile measured as a function of the first direction and having a variation greater than 10%. The optical amplifier system also includes a diffractive optic disposed along the optical path. The diffractive optic includes a photo-thermo-refractive glass member. The optical amplifier system further includes an amplifier slab having an input face and position along the optical path and separated from the diffractive optic by a predetermined distance. A second intensity profile measured at the input face of the amplifier slab as a function of the first direction has a variation less than 10%.

Method and system for homogenizing diode laser pump arrays

DOEpatents

Bayramian, Andy J

2013-10-01

An optical amplifier system includes a diode pump array including a plurality of semiconductor diode laser bars disposed in an array configuration and characterized by a periodic distance between adjacent semiconductor diode laser bars. The periodic distance is measured in a first direction perpendicular to each of the plurality of semiconductor diode laser bars. The diode pump array provides a pump output propagating along an optical path and characterized by a first intensity profile measured as a function of the first direction and having a variation greater than 10%. The optical amplifier system also includes a diffractive optic disposed along the optical path. The diffractive optic includes a photo-thermo-refractive glass member. The optical amplifier system further includes an amplifier slab having an input face and position along the optical path and separated from the diffractive optic by a predetermined distance. A second intensity profile measured at the input face of the amplifier slab as a function of the first direction has a variation less than 10%.

Diffraction-based overlay measurement on dedicated mark using rigorous modeling method

NASA Astrophysics Data System (ADS)

Lu, Hailiang; Wang, Fan; Zhang, Qingyun; Chen, Yonghui; Zhou, Chang

2012-03-01

Diffraction Based Overlay (DBO) is widely evaluated by numerous authors, results show DBO can provide better performance than Imaging Based Overlay (IBO). However, DBO has its own problems. As well known, Modeling based DBO (mDBO) faces challenges of low measurement sensitivity and crosstalk between various structure parameters, which may result in poor accuracy and precision. Meanwhile, main obstacle encountered by empirical DBO (eDBO) is that a few pads must be employed to gain sufficient information on overlay-induced diffraction signature variations, which consumes more wafer space and costs more measuring time. Also, eDBO may suffer from mark profile asymmetry caused by processes. In this paper, we propose an alternative DBO technology that employs a dedicated overlay mark and takes a rigorous modeling approach. This technology needs only two or three pads for each direction, which is economic and time saving. While overlay measurement error induced by mark profile asymmetry being reduced, this technology is expected to be as accurate and precise as scatterometry technologies.

X-ray peak profile analysis of zinc oxide nanoparticles formed by simple precipitation method

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick Joaquin; Magdaluyo, Eduardo

2017-12-01

Zinc oxide (ZnO) nanoparticles were successfully synthesized by a simple precipitation method using zinc acetate and tetramethylammonium hydroxide. The synthesized ZnO nanoparticles were characterized by X-ray Diffraction analysis (XRD) and Transmission Electron Microscopy (TEM). The XRD result revealed a hexagonal wurtzite structure for the ZnO nanoparticles. The TEM image showed spherical nanoparticles with an average crystallite size of 6.70 nm. For x-ray peak analysis, Williamson-Hall (W-H) and Size-Strain Plot (SSP) methods were applied to examine the effects of crystallite size and lattice strain on the peak broadening of the ZnO nanoparticles. Based on the calculations, the estimated crystallite sizes and lattice strains obtained are in good agreement with each other.

Deformation Behavior of Cementite in Deformed High Carbon Steel Observed by X-ray Diffraction with Synchrotron Radiation

NASA Astrophysics Data System (ADS)

Taniyama, Akira; Takayama, Toru; Arai, Masahiro; Hamada, Takanari

2017-10-01

The deformation behavior of cementite in drawn pearlitic steel and spheroidal cementite steel, which have hypereutectoid composition, was investigated by X-ray diffraction using synchrotron radiation. A detailed analysis of diffraction peak profiles reveals that the deformation behavior strongly depends on the shape of cementite in steel. The unit cell volume of the cementite in the drawn pearlitic steel compressively and elastically deforms by 1.5 to 2 pct of the initial volume at the early stage of drawing, whereas that in the drawn spheroidal cementite steel is compressed by 1 pct of the initial volume even at a large true strain. The cementite in the drawn pearlitic steel fragments into small pieces with increasing the true strain, and these pieces change to amorphous cementite. The dislocation densities of the cementite in the drawn pearlitic steel and in the drawn spheroidal cementite steel are estimated to be 1013/m2 before drawing and 1014/m2 after drawing. Although the large strain is induced in the cementite by drawing, the maximum strain energy in the cementite is too small to contribute to the dissolution of the cementite.

Structural-electrochemical relations in the aqueous copper hexacyanoferrate-zinc system examined by synchrotron X-ray diffraction

NASA Astrophysics Data System (ADS)

Renman, Viktor; Ojwang, Dickson O.; Valvo, Mario; Gómez, Cesar Pay; Gustafsson, Torbjörn; Svensson, Gunnar

2017-11-01

The storage process of Zn2+ in the Prussian blue analogue (PBA) copper hexacyanoferrate (Cu[Fe(CN)6]2/3·nH2O - CuHCF) framework structure in a context of rechargeable aqueous batteries is examined by means of in operando synchrotron X-ray diffraction. Via sequential unit-cell parameter refinements of time-resolved diffraction data, it is revealed that the step-profile of the cell output voltage curves during repeated electrochemical insertion and removal of Zn2+ in the CuHCF host structure is associated with a non-linear contraction and expansion of the unit-cell in the range 0.36 < x < 1.32 for Znx/3Cu[Fe(CN)6]2/3·nH2O. For a high insertion cation content there is no apparent change in the unit-cell contraction. Furthermore, a structural analysis with respect to the occupancies of possible Zn2+ sites suggests that the Fe(CN)6 vacancies within the CuHCF framework play an important role in the structural-electrochemical behavior of this particular system. More specifically, it is observed that Zn2+ swaps position during electrochemical cycling, hopping between cavity sites to vacant ferricyanide sites.

Work Hardening, Dislocation Structure, and Load Partitioning in Lath Martensite Determined by In Situ Neutron Diffraction Line Profile Analysis

NASA Astrophysics Data System (ADS)

Harjo, Stefanus; Kawasaki, Takuro; Tomota, Yo; Gong, Wu; Aizawa, Kazuya; Tichy, Geza; Shi, Zengmin; Ungár, Tamas

2017-09-01

A lath martensite steel containing 0.22 mass pct carbon was analyzed in situ during tensile deformation by high-resolution time-of-flight neutron diffraction to clarify the large work-hardening behavior at the beginning of plastic deformation. The diffraction peaks in plastically deformed states exhibit asymmetries as the reflection of redistributions of the stress and dislocation densities/arrangements in two lath packets: soft packet, where the dislocation glides are favorable, and hard packet, where they are unfavorable. The dislocation density was as high as 1015 m-2 in the as-heat-treated state. During tensile straining, the load and dislocation density became different between the two lath packets. The dislocation character and arrangement varied in the hard packet but hardly changed in the soft packet. In the hard packet, dislocations that were mainly screw-type in the as-heat-treated state became primarily edge-type and rearranged towards a dipole character related to constructing cell walls. The hard packet played an important role in the work hardening in martensite, which could be understood by considering the increase in dislocation density along with the change in dislocation arrangement.

Synchrotron X-ray diffraction study of the Ba{sub 1−x}SrSnO{sub 3} solid solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prodjosantoso, Anti K., E-mail: Prodjosantoso@yahoo.com; Zhou, Qingdi; Kennedy, Brendan J.

At room temperature the sequence of phases with increasing amounts of strontium in the stannate perovskite system Ba{sub 1−x}SrSnO{sub 3} has been established from high resolution synchrotron X-ray powder diffraction. The observed sequence orthorhombic (Pbnm), orthorhombic (Ibmm), tetragonal (I4/mcm), and cubic (Pm3-bar m) is a consequence of the sequential introduction of cooperative tilting of the corner sharing SnO{sub 6} octahedra. The cell volume changes smoothly across the series with no obvious discontinuities associated with the phase transitions. - Graphical abstract: Portions of the synchrotron X-ray diffraction profiles (λ=0.82453 Å) from selected Ba{sub 1−x}Sr{sub x}SnO{sub 3} samples together with the resultsmore » of fitting by the Rietveld method. Highlights: ► Structures of the stannate perovskites Ba{sub 1−x}SrSnO{sub 3} refined from synchrotron XRD. ► The sequence Pm3-bar m→I4/mcm→Ibmm→Pbnm results from tilting of the octahedra. ► The tilting maintains optimal bonding of the cations seen from the BVS analysis.« less

Minimization of spurious strains by using a Si bent-perfect-crystal monochromator: neutron surface strain scanning of a shot-peened sample

NASA Astrophysics Data System (ADS)

Rebelo Kornmeier, Joana; Gibmeier, Jens; Hofmann, Michael

2011-06-01

Neutron strain measurements are critical at the surface. When scanning close to a sample surface, aberration peak shifts arise due to geometrical and divergence effects. These aberration peak shifts can be of the same order as the peak shifts related to residual strains. In this study it will be demonstrated that by optimizing the horizontal bending radius of a Si (4 0 0) monochromator, the aberration peak shifts from surface effects can be strongly reduced. A stress-free sample of fine-grained construction steel, S690QL, was used to find the optimal instrumental conditions to minimize aberration peak shifts. The optimized Si (4 0 0) monochromator and instrument settings were then applied to measure the residual stress depth gradient of a shot-peened SAE 4140 steel sample to validate the effectiveness of the approach. The residual stress depth profile is in good agreement with results obtained by x-ray diffraction measurements from an international round robin test (BRITE-EURAM-project ENSPED). The results open very promising possibilities to bridge the gap between x-ray diffraction and conventional neutron diffraction for non-destructive residual stress analysis close to surfaces.

Electromagnetic response of the protective pellicle of Euglenoids: influence of the surface profile

NASA Astrophysics Data System (ADS)

Inchaussandague, Marina E.; Gigli, Miriam L.; Skigin, Diana C.; Tolivia, Analía.; Conforti, Visitación

2015-03-01

In a recent paper we have investigated, from an electromagnetic point of view, the role played by the pellicle of Euglenoids -unicellular aquatic organisms- in the protection of the cell against UV radiation.14 By modelling the pellicle as a diffraction grating, we computed the electromagnetic response of different species that exhibit different behaviors against UV radiation. In this previous study, the pellicle profile was approximated by a sinusoidal grating. However, it has been observed in the transversal cut images that the profiles are not exactly sinusoidal, and also vary from sample to sample. Since the electromagnetic response depends on the geometry of the grating, reflectance calculations that take into account a more accurate representation of the actual profile could provide more insight into this problem. In this paper we investigate the electromagnetic response of the pellicle of Euglenoids for different grating profiles. The diffraction problem is solved by using the Chandezon method, which has demonstrated a successful performance for deep gratings of arbitrary profiles. We analyze the influence of the shape, depth and period of the grating on the UV reflectance. We show that the pellicle characteristics are critical parameters to increase the reflectance, thus reducing the penetration of the UV radiation within the cell and therefore, minimizing the damage and increasing the survival of these organisms.

Diffraction efficiency of radially-profiled off-plane reflection gratings

NASA Astrophysics Data System (ADS)

Miles, Drew M.; Tutt, James H.; DeRoo, Casey T.; Marlowe, Hannah; Peterson, Thomas J.; McEntaffer, Randall L.; Menz, Benedikt; Burwitz, Vadim; Hartner, Gisela; Laubis, Christian; Scholze, Frank

2015-09-01

Future X-ray missions will require gratings with high throughput and high spectral resolution. Blazed off-plane reflection gratings are capable of meeting these demands. A blazed grating profile optimizes grating efficiency, providing higher throughput to one side of zero-order on the arc of diffraction. This paper presents efficiency measurements made in the 0.3 - 1.5 keV energy band at the Physikalisch-Technische Bundesanstalt (PTB) BESSY II facility for three holographically-ruled gratings, two of which are blazed. Each blazed grating was tested in both the Littrow configuration and anti-Littrow configuration in order to test the alignment sensitivity of these gratings with regard to throughput. This paper outlines the procedure of the grating experiment performed at BESSY II and discuss the resulting efficiency measurements across various energies. Experimental results are generally consistent with theory and demonstrate that the blaze does increase throughput to one side of zero-order. However, the total efficiency of the non-blazed, sinusoidal grating is greater than that of the blazed gratings, which suggests that the method of manufacturing these blazed profiles fails to produce facets with the desired level of precision. Finally, evidence of a successful blaze implementation from first diffraction results of prototype blazed gratings produce via a new fabrication technique at the University of Iowa are presented.

Surface analysis and depth profiling of corrosion products formed in lead pipes used to supply low alkalinity drinking water.

PubMed

Davidson, C M; Peters, N J; Britton, A; Brady, L; Gardiner, P H E; Lewis, B D

2004-01-01

Modern analytical techniques have been applied to investigate the nature of lead pipe corrosion products formed in pH adjusted, orthophosphate-treated, low alkalinity water, under supply conditions. Depth profiling and surface analysis have been carried out on pipe samples obtained from the water distribution system in Glasgow, Scotland, UK. X-ray diffraction spectrometry identified basic lead carbonate, lead oxide and lead phosphate as the principal components. Scanning electron microscopy/energy-dispersive x-ray spectrometry revealed the crystalline structure within the corrosion product and also showed spatial correlations existed between calcium, iron, lead, oxygen and phosphorus. Elemental profiling, conducted by means of secondary ion mass spectrometry (SIMS) and secondary neutrals mass spectrometry (SNMS) indicated that the corrosion product was not uniform with depth. However, no clear stratification was apparent. Indeed, counts obtained for carbonate, phosphate and oxide were well correlated within the depth range probed by SIMS. SNMS showed relationships existed between carbon, calcium, iron, and phosphorus within the bulk of the scale, as well as at the surface. SIMS imaging confirmed the relationship between calcium and lead and suggested there might also be an association between chloride and phosphorus.

A study of using femtosecond LIBS in analyzing metallic thin film-semiconductor interface

NASA Astrophysics Data System (ADS)

Galmed, A. H.; Kassem, A. K.; von Bergmann, H.; Harith, M. A.

2011-01-01

Metals and metal alloys are usually employed as interconnections to guide electrical signals between components into the very large scale integrated (VLSI) devices. These devices demand higher complexity, better performance and lower cost. Thin film is a common geometry for these metallic applications, requiring a substrate for rigidity. Accurate depth profile analysis of coatings is becoming increasingly important with expanding industrial use in technological fields. A number of articles devoted to LIBS applications for depth-resolved analysis have been published in recent years. In the present work, we are studying the ability of femtosecond LIBS to make depth profiling for a Ti thin film of thickness 213 nm deposited onto a silicon (100) substrate before and after thermal annealing. The measurements revealed that an average ablation rates of 15 nm per pulse have been achieved. The thin film was examined using X-Ray Diffraction (XRD) and Atomic Force Microscope (AFM), while the formation of the interface was examined using Rutherford Back Scattering (RBS) before and after annealing. To verify the depth profiling results, a theoretical simulation model is presented that gave a very good agreement with the experimental results.

Physicochemical and mechanical properties of carbamazepine cocrystals with saccharin.

PubMed

Rahman, Ziyaur; Samy, Raghu; Sayeed, Vilayat A; Khan, Mansoor A

2012-01-01

The aim of present research was to investigate the physicochemical, mechanical properties, and stability characteristics of cocrystal of carbamazepine (CBZ) using saccharin (SAC) as a coformer. The cocrystals were prepared by solubility method and characterized by pH-solubility profile, intrinsic dissolution by static disk method, and surface morphology by scanning electron microscopy (SEM), crystallinity by differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD), and mechanical properties by Heckel analysis. Stability of the cocrystals were assessed by storing them at 60 (°)C for two weeks, 25 (°)C/60%RH, 40 (°)C/75%RH and 40 (°)C/94%RH for one month and compared with the stability of CBZ. The solubility profile of cocrystal was similar to CBZ. The cocrystal and CBZ have shown the same stability profile at all the conditions of studies except at 40 (°)C/94%RH. Unlike the CBZ, cocrystal was stable against dihydrate transformation. The compacts of cocrystal have a greater tensile strength and more compressibility. The Heckel analysis suggested that plastic deformation started at low compression pressure in the cocrystal than CBZ. In summary, the cocrystal form of carbamazepine provides another avenue for product development which is more stable than the parent drug.

Precipitation-Induced Changes in Microstrain and Its Relation with Hardness and Tempering Parameter in 17-4 PH Stainless Steel

NASA Astrophysics Data System (ADS)

Mahadevan, S.; Manojkumar, R.; Jayakumar, T.; Das, C. R.; Rao, B. P. C.

2016-06-01

17-4 PH (precipitation hardening) stainless steel is a soft martensitic stainless steel strengthened by aging at appropriate temperature for sufficient duration. Precipitation of copper particles in the martensitic matrix during aging causes coherency strains which improves the mechanical properties, namely hardness and strength of the matrix. The contributions to X-ray diffraction (XRD) profile broadening due to coherency strains caused by precipitation and crystallite size changes due to aging are separated and quantified using the modified Williamson-Hall approach. The estimated normalized mean square strain and crystallite size are used to explain the observed changes in hardness. Microstructural changes observed in secondary electron images are in qualitative agreement with crystallite size changes estimated from XRD profile analysis. The precipitation kinetics in the age-hardening regime and overaged regime are studied from hardness changes and they follow the Avrami kinetics and Wilson's model, respectively. In overaged condition, the hardness changes are linearly correlated to the tempering parameter (also known as Larson-Miller parameter). Similar linear variation is observed between the normalized mean square strain (determined from XRD line profile analysis) and the tempering parameter, in the incoherent regime which is beyond peak microstrain conditions.

Structure of n-alkyltrichlorosilane mono layers on Si(100)/SiO 2

DOE PAGES

H. -G. Steinruck; Ocko, B.; Will, J.; ...

2015-10-05

The structure of n-alkyltrichlorosilane self-assembled monolayers (SAMs) of alkyl chain lengths n = 12, 14, 18, and 22 formed on the amorphous native oxide of silicon (100) has been investigated via angstrom-resolution surface X-ray scattering techniques, with particular focus on the proliferation of lateral order along the molecules’ long axis. Grazing incidence diffraction shows that the monolayer is composed of hexagonally packed crystalline-like domains for n = 14, 18, and 22 with a lateral size of about 60 Å. However, Bragg rod analysis shows that ~12 of the CH 2 units are not included in the crystalline-like domains. We assignmore » this, and the limited lateral crystallites’ size, to strain induced by the size mismatch between the optimal chain–chain and headgroup–headgroup spacings. Lastly, analysis of X-ray reflectivity profiles for n = 12, 14, and 22 shows that the density profile used to successfully model n = 18 provides an excellent fit where the analysis-derived parameters provide complementary structural information to the grazing incidence results.« less

Theoretical model of a polarization diffractive elements for the light beams conversion holographic formation in PDLCs

NASA Astrophysics Data System (ADS)

Sharangovich, Sergey N.; Semkin, Artem O.

2017-12-01

In this work a theoretical model of the holographic formation of the polarization diffractive optical elements for the transformation of Gaussian light beams into Bessel-like ones in polymer-dispersed liquid crystals (PDLC) is developed. The model is based on solving the equations of photo-induced Fredericks transition processes for polarization diffractive elements formation by orthogonally polarized light beams with inhomogeneous amplitude and phase profiles. The results of numerical simulation of the material's dielectric tensor changing due to the structure's formation process are presented for various recording beams' polarization states. Based on the results of numerical simulation, the ability to form the diffractive optical elements for light beams transformation by the polarization holography methods is shown.

Grazing incidence x-ray diffraction analysis of zeolite NaA membranes on porous alumina tubes.

PubMed

Kyotani, Tomohiro

2006-07-01

Zeolite NaA-type membranes hydrothermally synthesized on porous alumina tubes, for dehydration process, were characterized by grazing incidence 2 theta scan X-ray diffraction analysis (GIXRD). The fine structure of the membrane was studied fractionally for surface layer and for materials embedded in the porous alumina tube. The thickness of the surface layer on the porous alumina tube in the membranes used in this study was approximately 2-3 microm as determined from transmission electron microscopy with focused ion beam thin-layer specimen preparation technique (FIB-TEM). To discuss the effects of the membrane surface morphology on the GIXRD measurements, CaA-type membrane prepared by ion exchange from the NaA-type membrane and surface-damaged NaA-type membrane prepared by water leaching were also studied. For the original NaA-type membrane, 2 theta scan GIXRD patterns could be clearly measured at X-ray incidence angles (alpha) ranging from 0.1 to 2.0 deg in increments of 0.1 deg. The surface layers of the 2 - 3 microm on the porous alumina tube correspond to the alpha values up to ca. 0.2 deg. For the CaA-type and the surface-damaged NaA-type membranes, however, diffraction patterns from the surface layer could not be successfully detected and the others were somewhat broad. For all the three samples, diffraction intensities of both zeolite and alumina increased with depth (X-ray incidence angle, alpha) in the porous alumina tube region. The depth profile analysis of the membranes based on the GIXRD first revealed that amount of zeolite crystal embedded in the porous alumina tube is much larger than that in the surface layer. Thus, the 2 theta scan GIXRD is a useful method to study zeolite crystal growth mechanism around (both inside and outside) the porous alumina support during hydrothermal synthesis and to study water permeation behavior in the dehydration process.

Diffractive beam shaping for enhanced laser polymer welding

NASA Astrophysics Data System (ADS)

Rauschenberger, J.; Vogler, D.; Raab, C.; Gubler, U.

2015-03-01

Laser welding of polymers increasingly finds application in a large number of industries such as medical technology, automotive, consumer electronics, textiles or packaging. More and more, it replaces other welding technologies for polymers, e. g. hot-plate, vibration or ultrasonic welding. At the same rate, demands on the quality of the weld, the flexibility of the production system and on processing speed have increased. Traditionally, diode lasers were employed for plastic welding with flat-top beam profiles. With the advent of fiber lasers with excellent beam quality, the possibility to modify and optimize the beam profile by beam-shaping elements has opened. Diffractive optical elements (DOE) can play a crucial role in optimizing the laser intensity profile towards the optimal M-shape beam for enhanced weld seam quality. We present results on significantly improved weld seam width constancy and enlarged process windows compared to Gaussian or flat-top beam profiles. Configurations in which the laser beam diameter and shape can be adapted and optimized without changing or aligning the laser, fiber-optic cable or optical head are shown.

A simple method of obtaining concentration depth-profiles from X-ray diffraction

NASA Technical Reports Server (NTRS)

Wiedemann, K. E.; Unnam, J.

1984-01-01

The construction of composition profiles from X-ray intensity bands was investigated. The intensity band-to-composition profile transformation utilizes a solution which can be easily evaluated. The technique can be applied to thin films and thick speciments for which the variation of lattice parameters, linear absorption coefficient, and reflectivity with composition are known. A deconvolution scheme with corrections for the instrumental broadening and ak-alfadoublet is discussed.

Planar techniques for fabricating X-ray diffraction gratings and zone plates

NASA Technical Reports Server (NTRS)

Smith, H. I.; Anderson, E. H.; Hawryluk, A. M.; Schattenburg, M. L.

1984-01-01

The state of current planar techniques in the fabrication of Fresnel zone plates and diffraction gratings is reviewed. Among the fabrication techniques described are multilayer resist techniques; scanning electron beam lithography; and holographic lithography. Consideration is also given to: X-ray lithography; ion beam lithography; and electroplating. SEM photographs of the undercut profiles obtained in a type AZ 135OB photoresistor by holographic lithography are provided.

Theory of time-resolved x-ray photoelectron diffraction from transient conformational molecules

NASA Astrophysics Data System (ADS)

Tsuru, Shota; Sako, Tokuei; Fujikawa, Takashi; Yagishita, Akira

2017-04-01

We formulate x-ray photoelectron diffraction (XPD) from molecules undergoing photochemical reactions induced by optical laser pulses, and then apply the formula to the simulation of time-dependent XPD profiles from both dissociating I2 molecules and bending C S2 molecules. The dependence of nuclear wave-packet motions on the intensity and shape of the optical laser pulses is examined. As a result, the XPD simulations based on such nuclear wave-packet calculations are observed to exhibit characteristic features, which are compared with the XPD profiles due to classical trajectories of nuclear motions. The present study provides a methodology toward creating "molecular movies" of ultrafast photochemical reactions by means of femtosecond XPD with x-ray free-electron lasers.

Monolayer-by-monolayer compositional analysis of InAs/InAsSb superlattices with cross-sectional STM

DOE PAGES

Wood, M. R.; Kanedy, K.; Lopez, F.; ...

2015-02-23

In this paper, we use cross-sectional scanning tunneling microscopy (STM) to reconstruct the monolayer-by-monolayer composition profile across a representative subset of MBE-grown InAs/InAsSb superlattice layers and find that antimony segregation frustrates the intended compositional discontinuities across both antimonide-on-arsenide and arsenide-on-antimonide heterojunctions. Graded, rather than abrupt, interfaces are formed in either case. We likewise find that the incorporated antimony per superlattice period varies measurably from beginning to end of the multilayer stack. Finally, although the intended antimony discontinuities predict significant discrepancies with respect to the experimentally observed high-resolution x-ray diffraction spectrum, dynamical simulations based on the STM-derived profiles provide an excellentmore » quantitative match to all important aspects of the x-ray data.« less

Ultrasonic Nondestructive Evaluation Techniques Applied to the Quantitative Characterization of Textile Composite Materials

NASA Technical Reports Server (NTRS)

Miller, James G.

1997-01-01

In this Progress Report, we describe our recent developments of advanced ultrasonic nondestructive evaluation methods applied to the characterization of anisotropic materials. We present images obtained from experimental measurements of ultrasonic diffraction patterns for a thin woven composite in an immersion setup. In addition, we compare apparent signal loss measurements of the thin woven composite for phase-sensitive and phase-insensitive detection methods. All images of diffraction patterns have been included on the accompanying CD-ROM in the Adobe(Trademark) Portable Document Format (PDF). Due to the extensive amount of data, however, hardcopies of only a small representative selection of the images are included within the printed report. This Progress Report presents experimental results that support successful implementation of single element as well as one and two-dimensional ultrasonic array technologies for the inspection of textile composite structures. In our previous reports, we have addressed issues regarding beam profiles of ultrasonic pressure fields transmitted through a water reference path and transmitted through a thin woven composite sample path. Furthermore, we presented experimental results of the effect of a thin woven composite on the magnitude of an insonifying ultrasonic pressure field. In addition to the study of ultrasonic beam profiles, we consider issues relevant to the application of single-element, one-dimensional, and two-dimensional array technologies towards probing the mechanical properties of advanced engineering composites and structures. We provide comparisons between phase-sensitive and phase-insensitive detection methods for determination of textile composite structure parameters. We also compare phase-sensitive and phase-insensitive - - ---- ----- apparent signal loss measurements in an effort to study the phenomenon of phase cancellation at the face of a finite-aperture single-element receiver. Furthermore, in this Progress Report we extend our work on ultrasonic beam profile issues through investigation of the phase fronts of the pressure field. In Section H of this Progress Report we briefly describe the experimental arrangement and methods for data acquisition of the ultrasonic diffraction patterns upon transmission through a thin woven composite. Section III details the analysis of the experimental data followed by the experimental results in Section IV. Finally, a discussion of the observations and conclusions is found in Section V.

Crevasse detection with GPR across the Ross Ice Shelf, Antarctica

NASA Astrophysics Data System (ADS)

Delaney, A.; Arcone, S.

2005-12-01

We have used 400-MHz ground penetrating radar (GPR) to detect crevasses within a shear zone on the Ross Ice Shelf, Antarctica, to support traverse operations. The transducer was attached to a 6.5-m boom and pushed ahead of an enclosed tracked vehicle. Profile speeds of 4.8-11.3 km / hr allowed real-time crevasse image display and a quick, safe stop when required. Thirty-two crevasses were located with radar along the 4.8 km crossing. Generally, crevasse radar images were characterized by dipping reflections above the voids, high-amplitude reflections originating from ice layers at the base of the snow-bridges, and slanting, diffracting reflections from near-vertical crevasse walls. New cracks and narrow crevasses (<50 cm width) show no distinct snow bridge structure, few diffractions, and a distinct band where pulse reflections are absent. Wide (0.5-5.0 m), vertical wall crevasses show distinct dipping snow bridge layering and intense diffractions from ice layers near the base of the snow bridge. Pulse reflections are absent from voids beneath the snow bridges. Old, wide (3.0-8.0 m) and complexly shaped crevasses show well-developed, broad, dipping snow-bridge layers and a high-amplitude, complex, diffraction pattern. The crevasse mitigation process, which included hot-water drilling, destroying the bridges with dynamite, and back-filling with bulldozed snow, afforded an opportunity to ground-truth GPR interpretations by comparing void size and snow-bridge geometry with the radar images. While second and third season radar profiles collected along the identical flagged route confirmed stability of the filled crevasses, those profiles also identified several new cracks opened by ice extension. Our experiments demonstrate capability of high-frequency GPR in a cold-snow environment for both defining snow layers and locating voids.

Diffraction-Induced Bidimensional Talbot Self-Imaging with Full Independent Period Control

NASA Astrophysics Data System (ADS)

Guillet de Chatellus, Hugues; Romero Cortés, Luis; Deville, Antonin; Seghilani, Mohamed; Azaña, José

2017-03-01

We predict, formulate, and observe experimentally a generalized version of the Talbot effect that allows one to create diffraction-induced self-images of a periodic two-dimensional (2D) waveform with arbitrary control of the image spatial periods. Through the proposed scheme, the periods of the output self-image are multiples of the input ones by any desired integer or fractional factor, and they can be controlled independently across each of the two wave dimensions. The concept involves conditioning the phase profile of the input periodic wave before free-space diffraction. The wave energy is fundamentally preserved through the self-imaging process, enabling, for instance, the possibility of the passive amplification of the periodic patterns in the wave by a purely diffractive effect, without the use of any active gain.

Diffraction-Induced Bidimensional Talbot Self-Imaging with Full Independent Period Control.

PubMed

Guillet de Chatellus, Hugues; Romero Cortés, Luis; Deville, Antonin; Seghilani, Mohamed; Azaña, José

2017-03-31

We predict, formulate, and observe experimentally a generalized version of the Talbot effect that allows one to create diffraction-induced self-images of a periodic two-dimensional (2D) waveform with arbitrary control of the image spatial periods. Through the proposed scheme, the periods of the output self-image are multiples of the input ones by any desired integer or fractional factor, and they can be controlled independently across each of the two wave dimensions. The concept involves conditioning the phase profile of the input periodic wave before free-space diffraction. The wave energy is fundamentally preserved through the self-imaging process, enabling, for instance, the possibility of the passive amplification of the periodic patterns in the wave by a purely diffractive effect, without the use of any active gain.

An evaluation of the clinical potential of tissue diffraction studies

NASA Astrophysics Data System (ADS)

Speller, R.; Abuchi, S.; Zheng, Y.; Vassiljev, N.; Konstantinidis, A.; Griffiths, J.

2015-09-01

Medical imaging is a long established part of patient management in the treatment of disease. However, in most cases it only provides anatomical detail and does not provide any form of tissue characterisation. This is particularly true for X-ray imaging. Recent studies on tissue diffraction have shown that true molecular signatures can be derived for different tissue types. Breast cancer samples and liver tissue have been studied. It has been shown that diffraction profiles can be traced away from the primary tumour in excised breast tissue samples and that potentially 3mm fat nodules in liver tissue can be identified in patients at acceptable doses.

Dark localized structures in a cavity filled with a left-handed material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tlidi, Mustapha; Kockaert, Pascal; Gelens, Lendert

2011-07-15

We consider a nonlinear passive optical cavity filled with left-handed and right-handed materials and driven by a coherent injected beam. We assume that both left-handed and right-handed materials possess a Kerr focusing type of nonlinearity. We show that close to the zero-diffraction regime, high-order diffraction allows us to stabilize dark localized structures in this device. These structures consist of dips in the transverse profile of the intracavity field and do not exist without high-order diffraction. We analyze the snaking bifurcation diagram associated with these structures. Finally, a realistic estimation of the model parameters is provided.

Time-resolved coherent X-ray diffraction imaging of surface acoustic waves

PubMed Central

Nicolas, Jan-David; Reusch, Tobias; Osterhoff, Markus; Sprung, Michael; Schülein, Florian J. R.; Krenner, Hubert J.; Wixforth, Achim; Salditt, Tim

2014-01-01

Time-resolved coherent X-ray diffraction experiments of standing surface acoustic waves, illuminated under grazing incidence by a nanofocused synchrotron beam, are reported. The data have been recorded in stroboscopic mode at controlled and varied phase between the acoustic frequency generator and the synchrotron bunch train. At each time delay (phase angle), the coherent far-field diffraction pattern in the small-angle regime is inverted by an iterative algorithm to yield the local instantaneous surface height profile along the optical axis. The results show that periodic nanoscale dynamics can be imaged at high temporal resolution in the range of 50 ps (pulse length). PMID:25294979

Time-resolved coherent X-ray diffraction imaging of surface acoustic waves.

PubMed

Nicolas, Jan-David; Reusch, Tobias; Osterhoff, Markus; Sprung, Michael; Schülein, Florian J R; Krenner, Hubert J; Wixforth, Achim; Salditt, Tim

2014-10-01

Time-resolved coherent X-ray diffraction experiments of standing surface acoustic waves, illuminated under grazing incidence by a nanofocused synchrotron beam, are reported. The data have been recorded in stroboscopic mode at controlled and varied phase between the acoustic frequency generator and the synchrotron bunch train. At each time delay (phase angle), the coherent far-field diffraction pattern in the small-angle regime is inverted by an iterative algorithm to yield the local instantaneous surface height profile along the optical axis. The results show that periodic nanoscale dynamics can be imaged at high temporal resolution in the range of 50 ps (pulse length).

X-ray diffraction imaging with the Multiple Inverse Fan Beam topology: principles, performance and potential for security screening.

PubMed

Harding, G; Fleckenstein, H; Kosciesza, D; Olesinski, S; Strecker, H; Theedt, T; Zienert, G

2012-07-01

The steadily increasing number of explosive threat classes, including home-made explosives (HMEs), liquids, amorphous and gels (LAGs), is forcing up the false-alarm rates of security screening equipment. This development can best be countered by increasing the number of features available for classification. X-ray diffraction intrinsically offers multiple features for both solid and LAGs explosive detection, and is thus becoming increasingly important for false-alarm and cost reduction in both carry-on and checked baggage security screening. Following a brief introduction to X-ray diffraction imaging (XDI), which synthesizes in a single modality the image-forming and material-analysis capabilities of X-rays, the Multiple Inverse Fan Beam (MIFB) XDI topology is described. Physical relationships obtaining in such MIFB XDI components as the radiation source, collimators and room-temperature detectors are presented with experimental performances that have been achieved. Representative X-ray diffraction profiles of threat substances measured with a laboratory MIFB XDI system are displayed. The performance of Next-Generation (MIFB) XDI relative to that of the 2nd Generation XRD 3500TM screener (Morpho Detection Germany GmbH) is assessed. The potential of MIFB XDI, both for reducing the exorbitant cost of false alarms in hold baggage screening (HBS), as well as for combining "in situ" liquid and solid explosive detection in carry-on luggage screening is outlined. Copyright © 2011 Elsevier Ltd. All rights reserved.

Four-wave parametric oscillation in sodium vapor by electromagnetically induced diffraction.

PubMed

Harada, Ken-ichi; Ogata, Minoru; Mitsunaga, Masaharu

2007-05-01

We have observed a novel type of parametric oscillation in sodium atomic vapor where four off-axis signal waves simultaneously build up under resonant and counterpropagating pump beams with elliptical beam profiles. The four waves, two of them Stokes shifted and the other two anti-Stokes shifted, have similar output powers of up to 10 mW with a conversion efficiency of 30% and are parametrically coupled by electromagnetically induced diffraction.

Three-port beam splitter of a binary fused-silica grating.

PubMed

Feng, Jijun; Zhou, Changhe; Wang, Bo; Zheng, Jiangjun; Jia, Wei; Cao, Hongchao; Lv, Peng

2008-12-10

A deep-etched polarization-independent binary fused-silica phase grating as a three-port beam splitter is designed and manufactured. The grating profile is optimized by use of the rigorous coupled-wave analysis around the 785 nm wavelength. The physical explanation of the grating is illustrated by the modal method. Simple analytical expressions of the diffraction efficiencies and modal guidelines for the three-port beam splitter grating design are given. Holographic recording technology and inductively coupled plasma etching are used to manufacture the fused-silica grating. Experimental results are in good agreement with the theoretical values.

Priority compositions of boron carbide crystals obtained by self-propagating high-temperature synthesis

NASA Astrophysics Data System (ADS)

Ponomarev, V. I.; Konovalikhin, S. V.; Kovalev, I. D.; Vershinnikov, V. I.

2015-09-01

Splitting of reflections from boron carbide has been found for the first time by an X-ray diffraction study of polycrystalline mixture of boron carbide В15- х С х , (1.5 ≤ x ≤ 3) and its magnesium derivative C4B25Mg1.42. An analysis of reflection profiles shows that this splitting is due to the presence of boron carbide phases of different compositions in the sample, which are formed during crystal growth. The composition changes from В12.9С2.1 to В12.4С2.6.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Yifei; Kim, Honggyu; Zuo, Jian-Min

2014-07-07

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

Geochemical and technological characterization of clays of Corumbataí Formation, Paraná Basin, in the state of São Paulo, Brazil for the application in the ceramic industry.

NASA Astrophysics Data System (ADS)

Christofoletti, Sergio Ricardo; Torres Moreno, Maria Margarita; Batezelli, Alessandro; Zanardo, Antenor

2014-05-01

The Corumbataí Formation is a geological unit of the Paraná Basin comprises a range of predominantly argillaceous facies. These clays are important from an economic point of view, because they represent important mineral deposits suppliers of raw materials for the ceramic industry in the production of ceramic tiles.The study presents preliminary results of a research that aims to study the clays municipalities Tambaú, Ferreira and Santa Rosa of Viterbo in the State of São Paulo for their application and diversification of ceramic products. The methodology used was based on a detailed description of facies using the methodology in principles of analysis of Basin Miall (1984), followed by mineralogical identification by X-ray Diffraction, chemical analysis of major elements by X-ray Fluorescence and technological tests ceramic. According to the geological surveys of mines studied through columnar sections were identified the following lithofacies from base to top: Massive, Laminated, Intercalated and Altered. The mineralogy present on these lithofacies is composed by minerals: quartz, microclineo, albite, calcite, dolomite and hematite and by clay minerals illite, kaolinite and montmorillonite. The quartz represents the mineral more present in diffraction and occurs with d001 of 3.33Å in all lithofacies studied. The illite clay mineral represents the most frequent in studied samples presenting d 001 10Å in three conditions (natural, heated and treated with ethylene glycol) in which the blade was subjected to the analysis of X-ray diffraction, the presence of kaolinite or montmorillonite occurs or not in samples. It was observed a increased frequency of some minerals in the lithofacies studied, carbonates (calcite and dolomite), hematite and feldspar occurring in the intermediate portions of the profile with a predominance in lithofacies Intercalated. The illita clay mineral occurs throughout the profile, but with greater frequency in the lithofacies Massive and Laminated. The clay minerals kaolinite and montmorillonite occur in portions intermediate and top of the profiles studied in the intercalated and altered lithofacies. The chemical results of major elements by X-ray fluorescence confirmed the mineralogical results, with average values of 63.74 % of SiO2, 12.50 of Al2O3, 4.35% of of K2O, 0.45% of Na2O, 2,72% of CaO and 1,87 of MgO. The results chemical and mineralogical subsidized testing and ceramic formulations due to be executed later so defining the main applications of these clays in the production of ceramic products. The authors acknowledge the finantial support of Fundação de Amparo à Pesquisa do Estado de São Paulo-FAPESP, (Process, number 2012/24219-9).

A large area high resolution imaging detector for fast atom diffraction

NASA Astrophysics Data System (ADS)

Lupone, Sylvain; Soulisse, Pierre; Roncin, Philippe

2018-07-01

We describe a high resolution imaging detector based on a single 80 mm micro-channel-plate (MCP) and a phosphor screen mounted on a UHV flange of only 100 mm inner diameter. It relies on standard components and we describe its performance with one or two MCPs. A resolution of 80 μm rms is observed on the beam profile. At low count rate, individual impact can be pinpointed with few μm accuracy but the resolution is probably limited by the MCP channel diameter. The detector has been used to record the diffraction of fast atoms at grazing incidence on crystal surfaces (GIFAD), a technique probing the electronic density of the topmost layer only. The detector was also used to record the scattering profile during azimuthal scan of the crystal to produce triangulation curves revealing the surface crystallographic directions of molecular layers. It should also be compatible with reflection high energy electron (RHEED) experiment when fragile surfaces require a low exposure to the electron beam. The discussions on the mode of operation specific to diffraction experiments apply also to commercial detectors.

Growth, characterization and estimation of lattice strain and size in CdS nanoparticles: X-ray peak profile analysis

NASA Astrophysics Data System (ADS)

Solanki, Rekha Garg; Rajaram, Poolla; Bajpai, P. K.

2018-05-01

This work is based on the growth, characterization and estimation of lattice strain and crystallite size in CdS nanoparticles by X-ray peak profile analysis. The CdS nanoparticles were synthesized by a non-aqueous solvothermal method and were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman and UV-visible spectroscopy. XRD confirms that the CdS nanoparticles have the hexagonal structure. The Williamson-Hall (W-H) method was used to study the X-ray peak profile analysis. The strain-size plot (SSP) was used to study the individual contributions of crystallite size and lattice strain from the X-rays peaks. The physical parameters such as strain, stress and energy density values were calculated using various models namely, isotropic strain model, anisotropic strain model and uniform deformation energy density model. The particle size was estimated from the TEM images to be in the range of 20-40 nm. The Raman spectrum shows the characteristic optical 1LO and 2LO vibrational modes of CdS. UV-visible absorption studies show that the band gap of the CdS nanoparticles is 2.48 eV. The results show that the crystallite size estimated from Scherrer's formula, W-H plots, SSP and the particle size calculated by TEM images are approximately similar.

A new scheme for velocity analysis and imaging of diffractions

NASA Astrophysics Data System (ADS)

Lin, Peng; Peng, Suping; Zhao, Jingtao; Cui, Xiaoqin; Du, Wenfeng

2018-06-01

Seismic diffractions are the responses of small-scale inhomogeneities or discontinuous geological features, which play a vital role in the exploitation and development of oil and gas reservoirs. However, diffractions are generally ignored and considered as interference noise in conventional data processing. In this paper, a new scheme for velocity analysis and imaging of seismic diffractions is proposed. Two steps compose of this scheme in our application. First, the plane-wave destruction method is used to separate diffractions from specular reflections in the prestack domain. Second, in order to accurately estimate migration velocity of the diffractions, the time-domain dip-angle gathers are derived from a Kirchhoff-based angle prestack time migration using separated diffractions. Diffraction events appear flat in the dip-angle gathers when imaged above the diffraction point with selected accurate migration velocity for diffractions. The selected migration velocity helps to produce the desired prestack imaging of diffractions. Synthetic and field examples are applied to test the validity of the new scheme. The diffraction imaging results indicate that the proposed scheme for velocity analysis and imaging of diffractions can provide more detailed information about small-scale geologic features for seismic interpretation.

Synthesis of boron nitride nanostructures from catalyst of iron compounds via thermal chemical vapor deposition technique

NASA Astrophysics Data System (ADS)

da Silva, Wellington M.; Ribeiro, Hélio; Ferreira, Tiago H.; Ladeira, Luiz O.; Sousa, Edésia M. B.

2017-05-01

For the first time, patterned growth of boron nitride nanostructures (BNNs) is achieved by thermal chemical vapor deposition (TCVD) technique at 1150 °C using a mixture of FeS/Fe2O3 catalyst supported in alumina nanostructured, boron amorphous and ammonia (NH3) as reagent gas. This innovative catalyst was synthesized in our laboratory and systematically characterized. The materials were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), Thermogravimetric analysis (TGA), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The X-ray diffraction profile of the synthesized catalyst indicates the coexistence of three different crystal structures showing the presence of a cubic structure of iron oxide and iron sulfide besides the gamma alumina (γ) phase. The results show that boron nitride bamboo-like nanotubes (BNNTs) and hexagonal boron nitride (h-BN) nanosheets were successfully synthesized. Furthermore, the important contribution of this work is the manufacture of BNNs from FeS/Fe2O3 mixture.

Radiation damage to macromolecules: kill or cure?

PubMed

Garman, Elspeth F; Weik, Martin

2015-03-01

Radiation damage induced by X-ray beams during macromolecular diffraction experiments remains an issue of concern in structural biology. While advances in our understanding of this phenomenon, driven in part by a series of workshops in this area, undoubtedly have been and are still being made, there are still questions to be answered. Eight papers in this volume give a flavour of ongoing investigations, addressing various issues. These range over: a proposed new metric derived from atomic B-factors for identifying potentially damaged amino acid residues, a study of the relative damage susceptibility of protein and DNA in a DNA/protein complex, a report of an indication of specific radiation damage to a protein determined from data collected using an X-ray free-electron laser (FEL), an account of the challenges in FEL raw diffraction data analysis, an exploration of the possibilities of using radiation damage induced phasing to solve structures using FELs, simulations of radiation damage as a function of FEL temporal pulse profiles, results on the influence of radiation damage during scanning X-ray diffraction measurements and, lastly, consideration of strategies for minimizing radiation damage during SAXS experiments. In this short introduction, these contributions are briefly placed in the context of other current work on radiation damage in the field.

Effects of limestone petrography and calcite microstructure on OPC clinker raw meals burnability

NASA Astrophysics Data System (ADS)

Galimberti, Matteo; Marinoni, Nicoletta; Della Porta, Giovanna; Marchi, Maurizio; Dapiaggi, Monica

2017-10-01

Limestone represents the main raw material for ordinary Portland cement clinker production. In this study eight natural limestones from different geological environments were chosen to prepare raw meals for clinker manufacturing, aiming to define a parameter controlling the burnability. First, limestones were characterized by X-Ray Fluorescence, X-Ray Powder Diffraction and Optical Microscopy to assess their suitability for clinker production and their petrographic features. The average domains size and the microstrain of calcite were also determined by X-Ray Powder Diffraction line profile analysis. Then, each limestone was admixed with clay minerals to achieve the adequate chemical composition for clinker production. Raw meals were thermally threated at seven different temperatures, from 1000 to 1450 °C, to evaluate their behaviour on heating by ex situ X-Ray Powder Diffraction and to observe the final clinker morphology by Scanning Electron Microscopy. Results indicate the calcite microstrain is a reliable parameter to predict the burnability of the raw meals, in terms of calcium silicates growth and lime consumption. In particular, mixtures prepared starting from high-strained calcite exhibit a better burnability. Later, when the melt appears this correlation vanishes; however differences in the early burnability still reflect on the final clinker composition and texture.

Super resolution terahertz imaging by subpixel estimation: application to hyperspectral beam profiling

NASA Astrophysics Data System (ADS)

Logofătu, Petre C.; Damian, Victor

2018-05-01

A super-resolution terahertz imaging technique based on subpixel estimation was applied to hyperspectral beam profiling. The topic of hyperspectral beam profiling was chosen because the beam profile and its dependence on wavelength are not well known and are important for imaging applications. Super-resolution is required here to avoid diffraction effects and to provide a stronger signal. Super-resolution usually adds supplementary information to the measurement, but in this case, it is a prerequisite for it. We report that the beam profile is almost Gaussian for many frequencies; the waist of the Gaussian profile increases with frequency while the center wobbles slightly. Knowledge of the beam profile may subsequently be used as reference for imaging.

Modeling of the laser beam shape for high-power applications

NASA Astrophysics Data System (ADS)

Jabczyński, Jan K.; Kaskow, Mateusz; Gorajek, Lukasz; Kopczyński, Krzysztof; Zendzian, Waldemar

2018-04-01

Aperture losses and thermo-optic effects (TOE) inside optics as well as the effective beam width in far field should be taken into account in the analysis of the most appropriate laser beam profile for high-power applications. We have theoretically analyzed such a problem for a group of super-Gaussian beams taking first only diffraction limitations. Furthermore, we have investigated TOE on far-field parameters of such beams to determine the influence of absorption in optical elements on beam quality degradation. The best compromise gives the super-Gaussian profile of index p = 5, for which beam quality does not decrease noticeably and the thermo-optic higher order aberrations are compensated. The simplified formulas were derived for beam quality metrics (parameter M2 and Strehl ratio), which enable estimation of the influence of heat deposited in optics on degradation of beam quality. The method of dynamic compensation of such effect was proposed.

Structure, Elastic Constants and XRD Spectra of Extended Solids under High Pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Batyrev, I. G.; Coleman, S. P.; Ciezak-Jenkins, J. A.

We present results of evolutionary simulations based on density functional calculations of a potentially new type of energetic materials called extended solids: P-N and N-H. High-density structures with covalent bonds generated using variable and fixed concentration methods were analysed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction (XRD) spectra. X-ray diffraction spectra were calculated using a virtual diffraction algorithm that computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculated XRD patterns were used to search for the structure of extended solids present at experimental pressures by optimizing data accordingmore » to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Elastic constants has been calculated for thermodynamically stable structures of P-N system.« less

Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis.

PubMed

Chieng, Norman; Trnka, Hjalte; Boetker, Johan; Pikal, Michael; Rantanen, Jukka; Grohganz, Holger

2013-09-15

The purpose of this study is to investigate the use of multivariate data analysis for powder X-ray diffraction-pair-wise distribution function (PXRD-PDF) data to detect phase separation in freeze-dried binary amorphous systems. Polymer-polymer and polymer-sugar binary systems at various ratios were freeze-dried. All samples were analyzed by PXRD, transformed to PDF and analyzed by principal component analysis (PCA). These results were validated by differential scanning calorimetry (DSC) through characterization of glass transition of the maximally freeze-concentrate solute (Tg'). Analysis of PXRD-PDF data using PCA provides a more clear 'miscible' or 'phase separated' interpretation through the distribution pattern of samples on a score plot presentation compared to residual plot method. In a phase separated system, samples were found to be evenly distributed around the theoretical PDF profile. For systems that were miscible, a clear deviation of samples away from the theoretical PDF profile was observed. Moreover, PCA analysis allows simultaneous analysis of replicate samples. Comparatively, the phase behavior analysis from PXRD-PDF-PCA method was in agreement with the DSC results. Overall, the combined PXRD-PDF-PCA approach improves the clarity of the PXRD-PDF results and can be used as an alternative explorative data analytical tool in detecting phase separation in freeze-dried binary amorphous systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Single molecule fluorescence microscopy for ultra-sensitive RNA expression profiling

NASA Astrophysics Data System (ADS)

Hesse, Jan; Jacak, Jaroslaw; Regl, Gerhard; Eichberger, Thomas; Aberger, Fritz; Schlapak, Robert; Howorka, Stefan; Muresan, Leila; Frischauf, Anna-Maria; Schütz, Gerhard J.

2007-02-01

We developed a microarray analysis platform for ultra-sensitive RNA expression profiling of minute samples. It utilizes a novel scanning system for single molecule fluorescence detection on cm2 size samples in combination with specialized biochips, optimized for low autofluorescence and weak unspecific adsorption. 20 μg total RNA was extracted from 10 6 cells of a human keratinocyte cell line (HaCaT) and reversely transcribed in the presence of Alexa647-aha-dUTP. 1% of the resulting labeled cDNA was used for complex hybridization to a custom-made oligonucleotide microarray representing a set of 125 different genes. For low abundant genes, individual cDNA molecules hybridized to the microarray spots could be resolved. Single cDNA molecules hybridized to the chip surface appeared as diffraction limited features in the fluorescence images. The à trous wavelet method was utilized for localization and counting of the separated cDNA signals. Subsequently, the degree of labeling of the localized cDNA molecules was determined by brightness analysis for the different genes. Variations by factors up to 6 were found, which in conventional microarray analysis would result in a misrepresentation of the relative abundance of mRNAs.

High Strength and Ductility of Additively Manufactured 316L Stainless Steel Explained

NASA Astrophysics Data System (ADS)

Shamsujjoha, Md.; Agnew, Sean R.; Fitz-Gerald, James M.; Moore, William R.; Newman, Tabitha A.

2018-04-01

Structure-property relationships of an additively manufactured 316L stainless steel were explored. A scanning electron microscope and electron backscattered diffraction (EBSD) analysis revealed a fine cellular-dendritic (0.5 to 2 μm) substructure inside large irregularly shaped grains ( 100 μm). The cellular structure grows along the <100> crystallographic directions. However, texture analysis revealed that the main <100> texture component is inclined by 15 deg from the building direction. X-ray diffraction line profile analysis indicated a high dislocation density of 1 × 1015 m-2 in the as-built material, which correlates well with the observed EBSD microstructure and high-yield strength, via the traditional Taylor hardening equation. Significant variations in strain hardening behavior and ductility were observed for the horizontal (HB) and vertical (VB) built samples. Ductility of HB and VB samples measured 49 and 77 pct, respectively. The initial growth texture and subsequent texture evolution during tensile deformation are held responsible for the observed anisotropy. Notably, EBSD analysis of deformed samples showed deformation twins, which predominately form in the grains with <111> aligned parallel to the loading direction. The VB samples showed higher twinning activity, higher strain hardening rates at high strain, and therefore, higher ductility. Analysis of annealed samples revealed that the observed microstructures and properties are thermally stable, with only a moderate decrease in strength and very similar levels of ductility and anisotropy, compared with the as-built condition.

High Strength and Ductility of Additively Manufactured 316L Stainless Steel Explained

NASA Astrophysics Data System (ADS)

Shamsujjoha, Md.; Agnew, Sean R.; Fitz-Gerald, James M.; Moore, William R.; Newman, Tabitha A.

2018-07-01

Structure-property relationships of an additively manufactured 316L stainless steel were explored. A scanning electron microscope and electron backscattered diffraction (EBSD) analysis revealed a fine cellular-dendritic (0.5 to 2 μm) substructure inside large irregularly shaped grains ( 100 μm). The cellular structure grows along the <100> crystallographic directions. However, texture analysis revealed that the main <100> texture component is inclined by 15 deg from the building direction. X-ray diffraction line profile analysis indicated a high dislocation density of 1 × 1015 m-2 in the as-built material, which correlates well with the observed EBSD microstructure and high-yield strength, via the traditional Taylor hardening equation. Significant variations in strain hardening behavior and ductility were observed for the horizontal (HB) and vertical (VB) built samples. Ductility of HB and VB samples measured 49 and 77 pct, respectively. The initial growth texture and subsequent texture evolution during tensile deformation are held responsible for the observed anisotropy. Notably, EBSD analysis of deformed samples showed deformation twins, which predominately form in the grains with <111> aligned parallel to the loading direction. The VB samples showed higher twinning activity, higher strain hardening rates at high strain, and therefore, higher ductility. Analysis of annealed samples revealed that the observed microstructures and properties are thermally stable, with only a moderate decrease in strength and very similar levels of ductility and anisotropy, compared with the as-built condition.

Fabricating Blazed Diffraction Gratings by X-Ray Lithography

NASA Technical Reports Server (NTRS)

Mouroulis, Pantazis; Hartley, Frank; Wilson, Daniel

2004-01-01

Gray-scale x-ray lithography is undergoing development as a technique for fabricating blazed diffraction gratings. As such, gray-scale x-ray lithography now complements such other grating-fabrication techniques as mechanical ruling, holography, ion etching, laser ablation, laser writing, and electron-beam lithography. Each of these techniques offers advantages and disadvantages for implementing specific grating designs; no single one of these techniques can satisfy the design requirements for all applications. Gray-scale x-ray lithography is expected to be advantageous for making gratings on steeper substrates than those that can be made by electron-beam lithography. This technique is not limited to sawtooth groove profiles and flat substrates: various groove profiles can be generated on arbitrarily shaped (including highly curved) substrates with the same ease as sawtooth profiles can be generated on flat substrates. Moreover, the gratings fabricated by this technique can be made free of ghosts (spurious diffraction components attributable to small spurious periodicities in the locations of grooves). The first step in gray-scale x-ray lithography is to conformally coat a substrate with a suitable photoresist. An x-ray mask (see Figure 1) is generated, placed between the substrate and a source of collimated x-rays, and scanned over the substrate so as to create a spatial modulation in the exposure of the photoresist. Development of the exposed photoresist results in a surface corrugation that corresponds to the spatial modulation and that defines the grating surface. The grating pattern is generated by scanning an appropriately shaped x-ray area mask along the substrate. The mask example of Figure 1 would generate a blazed grating profile when scanned in the perpendicular direction at constant speed, assuming the photoresist responds linearly to incident radiation. If the resist response is nonlinear, then the mask shape can be modified to account for the nonlinearity and produce a desired groove profile. An example of grating grooves generated by this technique is shown in Figure 2. A maximum relative efficiency of 88 percent has been demonstrated.

Serial single molecule electron diffraction imaging: diffraction background of superfluid helium droplets

NASA Astrophysics Data System (ADS)

Zhang, Jie; He, Yunteng; Lei, Lei; Alghamdi, Maha; Oswalt, Andrew; Kong, Wei

2017-08-01

In an effort to solve the crystallization problem in crystallography, we have been engaged in developing a method termed "serial single molecule electron diffraction imaging" (SS-EDI). The unique features of SS-EDI are superfluid helium droplet cooling and field-induced orientation: together the two features constitute a molecular goniometer. Unfortunately, the helium atoms surrounding the sample molecule also contribute to a diffraction background. In this report, we analyze the properties of a superfluid helium droplet beam and its doping statistics, and demonstrate the feasibility of overcoming the background issue by using the velocity slip phenomenon of a pulsed droplet beam. Electron diffraction profiles and pair correlation functions of ferrocene-monomer-doped droplets and iodine-nanocluster-doped droplets are presented. The timing of the pulsed electron gun and the effective doping efficiency under different dopant pressures can both be controlled for size selection. This work clears any doubt of the effectiveness of superfluid helium droplets in SS-EDI, thereby advancing the effort in demonstrating the "proof-of-concept" one step further.

Fast integral methods for integrated optical systems simulations: a review

NASA Astrophysics Data System (ADS)

Kleemann, Bernd H.

2015-09-01

Boundary integral equation methods (BIM) or simply integral methods (IM) in the context of optical design and simulation are rigorous electromagnetic methods solving Helmholtz or Maxwell equations on the boundary (surface or interface of the structures between two materials) for scattering or/and diffraction purposes. This work is mainly restricted to integral methods for diffracting structures such as gratings, kinoforms, diffractive optical elements (DOEs), micro Fresnel lenses, computer generated holograms (CGHs), holographic or digital phase holograms, periodic lithographic structures, and the like. In most cases all of the mentioned structures have dimensions of thousands of wavelengths in diameter. Therefore, the basic methods necessary for the numerical treatment are locally applied electromagnetic grating diffraction algorithms. Interestingly, integral methods belong to the first electromagnetic methods investigated for grating diffraction. The development started in the mid 1960ies for gratings with infinite conductivity and it was mainly due to the good convergence of the integral methods especially for TM polarization. The first integral equation methods (IEM) for finite conductivity were the methods by D. Maystre at Fresnel Institute in Marseille: in 1972/74 for dielectric, and metallic gratings, and later for multiprofile, and other types of gratings and for photonic crystals. Other methods such as differential and modal methods suffered from unstable behaviour and slow convergence compared to BIMs for metallic gratings in TM polarization from the beginning to the mid 1990ies. The first BIM for gratings using a parametrization of the profile was developed at Karl-Weierstrass Institute in Berlin under a contract with Carl Zeiss Jena works in 1984-1986 by A. Pomp, J. Creutziger, and the author. Due to the parametrization, this method was able to deal with any kind of surface grating from the beginning: whether profiles with edges, overhanging non-functional profiles, very deep ones, very large ones compared to wavelength, or simple smooth profiles. This integral method with either trigonometric or spline collocation, iterative solver with O(N2) complexity, named IESMP, was significantly improved by an efficient mesh refinement, matrix preconditioning, Ewald summation method, and an exponentially convergent quadrature in 2006 by G. Schmidt and A. Rathsfeld from Weierstrass-Institute (WIAS) Berlin. The so-called modified integral method (MIM) is a modification of the IEM of D. Maystre and has been introduced by L. Goray in 1995. It has been improved for weak convergence problems in 2001 and it was the only commercial available integral method for a long time, known as PCGRATE. All referenced integral methods so far are for in-plane diffraction only, no conical diffraction was possible. The first integral method for gratings in conical mounting was developed and proven under very weak conditions by G. Schmidt (WIAS) in 2010. It works for separated interfaces and for inclusions as well as for interpenetrating interfaces and for a large number of thin and thick layers in the same stable way. This very fast method has then been implemented for parallel processing under Unix and Windows operating systems. This work gives an overview over the most important BIMs for grating diffraction. It starts by presenting the historical evolution of the methods, highlights their advantages and differences, and gives insight into new approaches and their achievements. It addresses future open challenges at the end.

Mark-forming simulations of phase-change land/groove disks

NASA Astrophysics Data System (ADS)

Nishi, Yoshiko; Shimano, Takeshi; Kando, Hidehiko

2000-09-01

The track pitches of optical discs have become so narrow that it is comparable to the wavelength of laser beam. Finite-difference time-domain (FDTD) simulation, based on vector diffraction analysis, can predict the propagation of light more accurately than scalar analysis, when the size of media texture becomes sub-micron order. The authors applied FDTD simulation to land-and-groove optical disc models, and found out that the effects of 3D geometry is not negligible in analyzing the energy absorption of light inside the land- and-groove multi-layered media. The electromagnetic field in the media does not have the same intensity distribution as the incident beam. Furthermore, the heat conduction inside the media depends on the disc geometry, so the beam spots centered on land and groove makes different effects in heating the recording layers. That is, the spatial and historical profile of temperature requires 3D analysis for both incident light absorption and heat conduction. The difference in temperature profiles is applied to the phase change simulator to see the writing process of the marks in land and groove. We have integrated three simulators: FDTD analysis, heat conduction and phase change simulation. These simulators enabled to evaluate the differences in mark forming process between land and groove.

Probing multiscale transport and inhomogeneity in a lithium-ion cells using in-situ neutron methods

DOE PAGES

Zhou, Hui; An, Ke; Allu, Srikanth; ...

2016-01-01

Here, we demonstrate for the first time the lithiation process in graphitic anodes using insitu neutron radiography in a pouch cell format. The neutron absorption contrast shows a direct correlation between degree of lithiation and the discharge voltage plateau. Furthermore, we provide a semi-quantitative comparison between the observed spatial variations of neutron attenuation line profile across the graphite electrode and the calculated lithium concentration profiles computed under similar electrochemical discharge conditions. In conjunction, in situ neutron diffraction of a similar pouch cell under identical test protocol was carried to obtain information about the local phase changes upon lithiation. Combined in-situmore » radiography and diffraction opens up a powerful nondestructive method to understand the multi-scale nature of lithium transport and degradation in practical lithium-ion cells.« less

Fast switchable ferroelectric liquid crystal gratings with two electro-optical modes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Ying; Srivastava, A. K., E-mail: abhishek-srivastava-lu@yahoo.co.in; Chigrinov, V. G.

In this article, we reveal a theoretical and experimental illustration of the Ferroelectric liquid crystal (FLC) grating fabricated by mean of patterned alignment based on photo-alignment. The complexity related to the mismatching of the predefined alignment domains on the top and bottom substrate has been avoided by incorporating only one side photo aligned substrate while the other substrate does not have any alignment layer. Depending on the easy axis in the said alignment domains and the azimuth plane of the impinging polarized light, the diffracting element can be tuned in two modes i.e. DIFF/OFF switchable and DIFF/TRANS switchable modes, whichmore » can be applied to different applications. The diffraction profile has been illustrated theoretically that fits well with the experimental finding and thus the proposed diffraction elements with fast response time and high diffraction efficiency could find application in many modern devices.« less

Imperfection and radiation damage in protein crystals studied with coherent radiation

PubMed Central

Nave, Colin; Sutton, Geoff; Evans, Gwyndaf; Owen, Robin; Rau, Christoph; Robinson, Ian; Stuart, David Ian

2016-01-01

Fringes and speckles occur within diffraction spots when a crystal is illuminated with coherent radiation during X-ray diffraction. The additional information in these features provides insight into the imperfections in the crystal at the sub-micrometre scale. In addition, these features can provide more accurate intensity measurements (e.g. by model-based profile fitting), detwinning (by distinguishing the various components), phasing (by exploiting sampling of the molecular transform) and refinement (by distinguishing regions with different unit-cell parameters). In order to exploit these potential benefits, the features due to coherent diffraction have to be recorded and any change due to radiation damage properly modelled. Initial results from recording coherent diffraction at cryotemperatures from polyhedrin crystals of approximately 2 µm in size are described. These measurements allowed information about the type of crystal imperfections to be obtained at the sub-micrometre level, together with the changes due to radiation damage. PMID:26698068

Plasma cleaning and analysis of archeological artefacts from Sipán

NASA Astrophysics Data System (ADS)

Saettone, E. A. O.; da Matta, J. A. S.; Alva, W.; Chubaci, J. F. O.; Fantini, M. C. A.; Galvão, R. M. O.; Kiyohara, P.; Tabacniks, M. H.

2003-04-01

A novel procedure using plasma sputtering in an electron-cyclotron-resonance device has been applied to clean archeological MOCHE artefacts, unearthed at the Royal Tombs of Sipán. After successful cleaning, the pieces were analysed by a variety of complementary techniques, namely proton-induced x-ray emission, Rutherford backscattering spectroscopy, x-ray diffraction, electron microscopy, and inductively coupled plasma mass spectroscopy. With these techniques, it has been possible to not only determine the profiles of the gold and silver surface layers, but also to detect elements that may be relevant to explain the gilding techniques skillfully developed by the metal smiths of the MOCHE culture.

Dehydration of detomidine hydrochloride monohydrate.

PubMed

Veldre, K; Actiņš, A; Jaunbergs, J

2011-10-09

The thermodynamic stability of detomidine hydrochloride monohydrate has been evaluated on the basis of phase transition kinetics in solid state. A method free of empirical models was used for the treatment of kinetic data, and compared to several known solid state kinetic data processing methods. Phase transitions were monitored by powder X-ray diffraction (PXRD) and thermal analysis. Full PXRD profiles were used for determining the phase content instead of single reflex intensity measurements, in order to minimize the influence of particle texture. We compared the applicability of isothermal and nonisothermal methods to our investigation of detomidine hydrochlorine monohydrate dehydration. Copyright © 2011 Elsevier B.V. All rights reserved.

In situ MEMS testing: correlation of high-resolution X-ray diffraction with mechanical experiments and finite element analysis.

PubMed

Schifferle, Andreas; Dommann, Alex; Neels, Antonia

2017-01-01

New methods are needed in microsystems technology for evaluating microelectromechanical systems (MEMS) because of their reduced size. The assessment and characterization of mechanical and structural relations of MEMS are essential to assure the long-term functioning of devices, and have a significant impact on design and fabrication. Within this study a concept for the investigation of mechanically loaded MEMS materials on an atomic level is introduced, combining high-resolution X-ray diffraction (HRXRD) measurements with finite element analysis (FEA) and mechanical testing. In situ HRXRD measurements were performed on tensile loaded single crystal silicon (SCSi) specimens by means of profile scans and reciprocal space mapping (RSM) on symmetrical (004) and (440) reflections. A comprehensive evaluation of the rather complex XRD patterns and features was enabled by the correlation of measured with simulated, 'theoretical' patterns. Latter were calculated by a specifically developed, simple and fast approach on the basis of continuum mechanical relations. Qualitative and quantitative analysis confirmed the admissibility and accuracy of the presented method. In this context [001] Poisson's ratio was determined providing an error of less than 1.5% with respect to analytical prediction. Consequently, the introduced procedure contributes to further going investigations of weak scattering being related to strain and defects in crystalline structures and therefore supports investigations on materials and devices failure mechanisms.

In situ MEMS testing: correlation of high-resolution X-ray diffraction with mechanical experiments and finite element analysis

PubMed Central

Schifferle, Andreas; Dommann, Alex; Neels, Antonia

2017-01-01

Abstract New methods are needed in microsystems technology for evaluating microelectromechanical systems (MEMS) because of their reduced size. The assessment and characterization of mechanical and structural relations of MEMS are essential to assure the long-term functioning of devices, and have a significant impact on design and fabrication. Within this study a concept for the investigation of mechanically loaded MEMS materials on an atomic level is introduced, combining high-resolution X-ray diffraction (HRXRD) measurements with finite element analysis (FEA) and mechanical testing. In situ HRXRD measurements were performed on tensile loaded single crystal silicon (SCSi) specimens by means of profile scans and reciprocal space mapping (RSM) on symmetrical (004) and (440) reflections. A comprehensive evaluation of the rather complex XRD patterns and features was enabled by the correlation of measured with simulated, ‘theoretical’ patterns. Latter were calculated by a specifically developed, simple and fast approach on the basis of continuum mechanical relations. Qualitative and quantitative analysis confirmed the admissibility and accuracy of the presented method. In this context [001] Poisson’s ratio was determined providing an error of less than 1.5% with respect to analytical prediction. Consequently, the introduced procedure contributes to further going investigations of weak scattering being related to strain and defects in crystalline structures and therefore supports investigations on materials and devices failure mechanisms. PMID:28533825

The power of in situ pulsed laser deposition synchrotron characterization for the detection of domain formation during growth of Ba0.5Sr0.5TiO3 on MgO.

PubMed

Bauer, Sondes; Lazarev, Sergey; Molinari, Alan; Breitenstein, Andreas; Leufke, Philipp; Kruk, Robert; Hahn, Horst; Baumbach, Tilo

2014-03-01

A highly sophisticated pulsed laser deposition (PLD) chamber has recently been installed at the NANO beamline at the synchrotron facility ANKA (Karlsruhe, Germany), which allows for comprehensive studies on the PLD growth process of dielectric, ferroelectric and ferromagnetic thin films in epitaxial oxide heterostructures or even multilayer systems by combining in situ reflective high-energy diffraction with the in situ synchrotron high-resolution X-ray diffraction and surface diffraction methods. The modularity of the in situ PLD chamber offers the opportunity to explore the microstructure of the grown thin films as a function of the substrate temperature, gas pressure, laser fluence and target-substrate separation distance. Ba0.5Sr0.5TiO3 grown on MgO represents the first system that is grown in this in situ PLD chamber and studied by in situ X-ray reflectivity, in situ two-dimensional reciprocal space mapping of symmetric X-ray diffraction and acquisition of time-resolved diffraction profiles during the ablation process. In situ PLD synchrotron investigation has revealed the occurrence of structural distortion as well as domain formation and misfit dislocation which all depend strongly on the film thickness. The microstructure transformation has been accurately detected with a time resolution of 1 s. The acquisition of two-dimensional reciprocal space maps during the PLD growth has the advantage of simultaneously monitoring the changes of the crystalline structure as well as the formation of defects. The stability of the morphology during the PLD growth is demonstrated to be remarkably affected by the film thickness. A critical thickness for the domain formation in Ba0.5Sr0.5TiO3 grown on MgO could be determined from the acquisition of time-resolved diffraction profiles during the PLD growth. A splitting of the diffraction peak into two distinguishable peaks has revealed a morphology change due to modification of the internal strain during growth.

Fallon, Nevada FORGE Seismic Reflection Profiles

DOE Data Explorer

Blankenship, Doug; Faulds, James; Queen, John; Fortuna, Mark

2018-02-01

Newly reprocessed Naval Air Station Fallon (1994) seismic lines: pre-stack depth migrations, with interpretations to support the Fallon FORGE (Phase 2B) 3D Geologic model. Data along seven profiles (>100 km of total profile length) through and adjacent to the Fallon site were re-processed. The most up-to-date, industry-tested seismic processing techniques were utilized to improve the signal strength and coherency in the sedimentary, volcanic, and Mesozoic crystalline basement sections, in conjunction with fault diffractions in order to improve the identification and definition of faults within the study area.

Adequacy of laser diffraction for soil particle size analysis

PubMed Central

Fisher, Peter; Aumann, Colin; Chia, Kohleth; O'Halloran, Nick; Chandra, Subhash

2017-01-01

Sedimentation has been a standard methodology for particle size analysis since the early 1900s. In recent years laser diffraction is beginning to replace sedimentation as the prefered technique in some industries, such as marine sediment analysis. However, for the particle size analysis of soils, which have a diverse range of both particle size and shape, laser diffraction still requires evaluation of its reliability. In this study, the sedimentation based sieve plummet balance method and the laser diffraction method were used to measure the particle size distribution of 22 soil samples representing four contrasting Australian Soil Orders. Initially, a precise wet riffling methodology was developed capable of obtaining representative samples within the recommended obscuration range for laser diffraction. It was found that repeatable results were obtained even if measurements were made at the extreme ends of the manufacturer’s recommended obscuration range. Results from statistical analysis suggested that the use of sample pretreatment to remove soil organic carbon (and possible traces of calcium-carbonate content) made minor differences to the laser diffraction particle size distributions compared to no pretreatment. These differences were found to be marginally statistically significant in the Podosol topsoil and Vertosol subsoil. There are well known reasons why sedimentation methods may be considered to ‘overestimate’ plate-like clay particles, while laser diffraction will ‘underestimate’ the proportion of clay particles. In this study we used Lin’s concordance correlation coefficient to determine the equivalence of laser diffraction and sieve plummet balance results. The results suggested that the laser diffraction equivalent thresholds corresponding to the sieve plummet balance cumulative particle sizes of < 2 μm, < 20 μm, and < 200 μm, were < 9 μm, < 26 μm, < 275 μm respectively. The many advantages of laser diffraction for soil particle size analysis, and the empirical results of this study, suggest that deployment of laser diffraction as a standard test procedure can provide reliable results, provided consistent sample preparation is used. PMID:28472043

Interference from the Robledo DSN Transmitters to Central Madrid IMT-2000/UMTS System through Terrain Diffraction at S-Band

NASA Technical Reports Server (NTRS)

Ho, Christian M.; Sue, Miles K.; Peng, Ted K.; Smith, Ernest K.

2002-01-01

This study evaluates the possible interference from DSN Robledo 70-m transmitter with Madrid IMT-2000/UMTS wireless users in Spain as both systems will share the same frequency band. Using the effective earth radius, the 50 km terrain profile between Robledo and Madrid is modified and reconstructed. The diffraction propagation losses due to mountain peaks are calculated for the receivers in Madrid urban area. The mountains along the path are simplified into a rounded knife-edge and a rounded obstacle. The results show that for a near surface receiver (1.5 m above the ground) in Madrid, interference signal powers received are less than -135 dBm, which is far below the -109 dBm, the IMT-2000 wireless phone threshold. When a receiver is located at about 40 m above the ground (e.g., the top of Clock Tower of Cibeles Palace), diffraction will generate interference power less than -115 dBm. We find that our calculation results are basically consistent with those from the Longley-Rice model, while the latter has smaller loss because of the low resolution terrain profile used. As a comparison, we also find that the measurements of interference powers of -121.2 dBm at the top of Clock tower is in the range of the estimation. We conclude that the interference through the diffraction mechanism will not cause any problem to IMT-2000/UMTS users at near the surface of Madrid urban area.

Computation of nonstationary strong shock diffraction by curved surfaces

NASA Technical Reports Server (NTRS)

Yang, J. Y.; Lombard, C. K.; Bershader, D.

1986-01-01

A two-dimensional, high resolution shock-capturing algorithm was used on a supercomputer to solve Eulerian gasdynamic equations in order to simulate nonstationary strong shock diffraction by a circular arc model in a shock tube. The hypersonic Mach shock wave was assumed to arrive at a high angle of incidence, and attention was given to the effect of varying values of the ratio of specific heats on the shock diffraction process. Details of the conservation equations of the numerical algorithm, written in curvilinear coordinates, are provided, and model output is illustrated with the results generated for a Mach shock encountering a 15 deg circular arc. The sample graphics include isopycnics, a shock surface density profile, and pressure and Mach number contours.

Rayleigh-wave diffractions due to a void in the layered half space

USGS Publications Warehouse

Xia, J.; Xu, Y.; Miller, R.D.; Nyquist, Jonathan E.

2006-01-01

Void detection is challenging due to the complexity of near-surface materials and the limited resolution of geophysical methods. Although multichannel, high-frequency, surface-wave techniques can provide reliable shear (S)-wave velocities in different geological settings, they are not suitable for detecting voids directly based on anomalies of the S-wave velocity because of limitations on the resolution of S-wave velocity profiles inverted from surface-wave phase velocities. Xia et al. (2006a) derived a Rayleigh-wave diffraction traveltime equation due to a void in the homogeneous half space. Encouraging results of directly detecting a void from Rayleigh-wave diffractions were presented (Xia et al., 2006a). In this paper we used four two-dimensional square voids in the layered half space to demonstrate the feasibility of detecting a void with Rayleigh-wave diffractions. Rayleigh-wave diffractions were recognizable for all these models after removing direct surface waves by F-K filtering. We evaluate the feasibility of applying the Rayleigh-wave diffraction traveltime equation to a void in the layered earth model. The phase velocity of diffracted Rayleigh waves is predominately determined by surrounding materials of a void. The modeling results demonstrate that the Rayleigh-wave diffraction traveltime equation due to a void in the homogeneous half space can be applied to the case of a void in the layered half space. In practice, only two diffraction times are necessary to define the depth to the top of a void and the average velocity of diffracted Rayleigh waves. ?? 2005 Society of Exploration Geophysicists.

Analytical electron microscopy in mineralogy; exsolved phases in pyroxenes

USGS Publications Warehouse

Nord, G.L.

1982-01-01

Analytical scanning transmission electron microscopy has been successfully used to characterize the structure and composition of lamellar exsolution products in pyroxenes. At operating voltages of 100 and 200 keV, microanalytical techniques of x-ray energy analysis, convergent-beam electron diffraction, and lattice imaging have been used to chemically and structurally characterize exsolution lamellae only a few unit cells wide. Quantitative X-ray energy analysis using ratios of peak intensities has been adopted for the U.S. Geological Survey AEM in order to study the compositions of exsolved phases and changes in compositional profiles as a function of time and temperature. The quantitative analysis procedure involves 1) removal of instrument-induced background, 2) reduction of contamination, and 3) measurement of correction factors obtained from a wide range of standard compositions. The peak-ratio technique requires that the specimen thickness at the point of analysis be thin enough to make absorption corrections unnecessary (i.e., to satisfy the "thin-foil criteria"). In pyroxenes, the calculated "maximum thicknesses" range from 130 to 1400 nm for the ratios Mg/Si, Fe/Si, and Ca/Si; these "maximum thicknesses" have been contoured in pyroxene composition space as a guide during analysis. Analytical spatial resolutions of 50-100 nm have been achieved in AEM at 200 keV from the composition-profile studies, and analytical reproducibility in AEM from homogeneous pyroxene standards is ?? 1.5 mol% endmember. ?? 1982.

First global next-to-leading order determination of diffractive parton distribution functions and their uncertainties within the xFitter framework

NASA Astrophysics Data System (ADS)

Goharipour, Muhammad; Khanpour, Hamzeh; Guzey, Vadim

2018-04-01

We present GKG18-DPDFs, a next-to-leading order (NLO) QCD analysis of diffractive parton distribution functions (diffractive PDFs) and their uncertainties. This is the first global set of diffractive PDFs determined within the xFitter framework. This analysis is motivated by all available and most up-to-date data on inclusive diffractive deep inelastic scattering (diffractive DIS). Heavy quark contributions are considered within the framework of the Thorne-Roberts (TR) general mass variable flavor number scheme (GM-VFNS). We form a mutually consistent set of diffractive PDFs due to the inclusion of high-precision data from H1/ZEUS combined inclusive diffractive cross sections measurements. We study the impact of the H1/ZEUS combined data by producing a variety of determinations based on reduced data sets. We find that these data sets have a significant impact on the diffractive PDFs with some substantial reductions in uncertainties. The predictions based on the extracted diffractive PDFs are compared to the analyzed diffractive DIS data and with other determinations of the diffractive PDFs.

Hybrid Modes in Long Wavelength Free Electron Lasers

DTIC Science & Technology

2010-12-01

response, including the time for reviewing instruction, searching existing data sources, gathering and maintaining the data needed, and completing and...diffraction along one axis, allowing free space diffraction along the other axis. We continue the analysis of the relativistic electron beam, co-propagating...control diffraction along one axis, allowing free space diffraction along the other axis. We continue the analysis of the relativistic electron beam, co

Phasor Analysis of Binary Diffraction Gratings with Different Fill Factors

ERIC Educational Resources Information Center

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…

Beam-smiling in bent-Laue monochromators

NASA Astrophysics Data System (ADS)

Ren, B.; Dilmanian, F. A.; Chapman, L. D.; Wu, X. Y.; Zhong, Z.; Ivanov, I.; Thomlinson, W. C.; Huang, X.

1997-07-01

When a wide fan-shaped x-ray beam is diffracted by a bent crystal in the Laue geometry, the profile of the diffracted beam generally does not appear as a straight line, but as a line with its ends curved up or curved down. This effect, referred to as "beam-smiling", has been a major obstacle in developing bent-Laue crystal monochromators for medical applications of synchrotron x-ray. We modeled a cylindrically bent crystal using the Finite Element Analysis (FEA) method, and we carried out experiments at the National Synchrotron Light Source and Cornell High Energy Synchrotron Source. Our studies show that, while beam-smiling exists in most of the crystal's area because of anticlastic bending effects, there is a region parallel to the bending axis of the crystal where the diffracted beam is "smile-free". By applying asymmetrical bending, this smile-free region can be shifted vertically away from the geometric center of the crystal, as desired. This leads to a novel method of compensating for beam-smiling. We will discuss the method of "differential bending" for smile removal, beam-smiling in the Cauchios and the polychromatic geometry, and the implications of the method on developing single- and double-bent Laue monochromators. The experimental results will be discussed, concentrating on specific beam-smiling observation and removal as applied to the new monochromator of the Multiple Energy Computed Tomography [MECT] project of the Medical Department, Brookhaven National Laboratory.

Quantitative x-ray diffraction analysis of bimodal damage distributions in Tm implanted Al0.15Ga0.85N

NASA Astrophysics Data System (ADS)

Magalhães, S.; Fialho, M.; Peres, M.; Lorenz, K.; Alves, E.

2016-04-01

In this work radial symmetric x-ray diffraction scans of Al0.15Ga0.85N thin films implanted with Tm ions were measured to determine the lattice deformation and crystal quality as functions of depth. The alloys were implanted with 300 keV Tm with 10° off-set to the sample normal to avoid channelling, with fluences varying between 1013 Tm cm-2 and 5  ×  1015 Tm cm-2. Simulations of the radial 2θ-ω scans were performed under the frame of the dynamical theory of x-ray diffraction assuming Gaussian distributions of the lattice strain induced by implantation defects. The structure factor of the individual layers is multiplied by a static Debye-Waller factor in order to take into account the effect of lattice disorder due to implantation. For higher fluences two asymmetric Gaussians are required to describe well the experimental diffractograms, although a single asymmetric Gaussian profile for the deformation is found in the sample implanted with 1013 Tm cm-2. After thermal treatment at 1200 °C, the crystal quality partially recovers as seen in a reduction of the amplitude of the deformation maximum as well as the total thickness of the deformed layer. Furthermore, no evidence of changes with respect to the virgin crystal mosaicity is found after implantation and annealing.

Novel silica stabilization method for the analysis of fine nanocrystals using coherent X-ray diffraction imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monteforte, Marianne; Estandarte, Ana K.; Chen, Bo

2016-06-23

High-energy X-ray Bragg coherent diffraction imaging (BCDI) is a well established synchrotron-based technique used to quantitatively reconstruct the three-dimensional morphology and strain distribution in nanocrystals. The BCDI technique has become a powerful analytical tool for quantitative investigations of nanocrystals, nanotubes, nanorods and more recently biological systems. BCDI has however typically failed for fine nanocrystals in sub-100?nm size regimes ? a size routinely achievable by chemical synthesis ? despite the spatial resolution of the BCDI technique being 20?30?nm. The limitations of this technique arise from the movement of nanocrystals under illumination by the highly coherent beam, which prevents full diffraction datamore » sets from being acquired. A solution is provided here to overcome this problem and extend the size limit of the BCDI technique, through the design of a novel stabilization method by embedding the fine nanocrystals into a silica matrix. Chemically synthesized FePt nanocrystals of maximum dimension 20?nm and AuPd nanocrystals in the size range 60?65?nm were investigated with BCDI measurement at beamline 34-ID-C of the APS, Argonne National Laboratory. Novel experimental methodologies to elucidate the presence of strain in fine nanocrystals are a necessary pre-requisite in order to better understand strain profiles in engineered nanocrystals for novel device development.« less

Novel silica stabilization method for the analysis of fine nanocrystals using coherent X-ray diffraction imaging.

PubMed

Monteforte, Marianne; Estandarte, Ana K; Chen, Bo; Harder, Ross; Huang, Michael H; Robinson, Ian K

2016-07-01

High-energy X-ray Bragg coherent diffraction imaging (BCDI) is a well established synchrotron-based technique used to quantitatively reconstruct the three-dimensional morphology and strain distribution in nanocrystals. The BCDI technique has become a powerful analytical tool for quantitative investigations of nanocrystals, nanotubes, nanorods and more recently biological systems. BCDI has however typically failed for fine nanocrystals in sub-100 nm size regimes - a size routinely achievable by chemical synthesis - despite the spatial resolution of the BCDI technique being 20-30 nm. The limitations of this technique arise from the movement of nanocrystals under illumination by the highly coherent beam, which prevents full diffraction data sets from being acquired. A solution is provided here to overcome this problem and extend the size limit of the BCDI technique, through the design of a novel stabilization method by embedding the fine nanocrystals into a silica matrix. Chemically synthesized FePt nanocrystals of maximum dimension 20 nm and AuPd nanocrystals in the size range 60-65 nm were investigated with BCDI measurement at beamline 34-ID-C of the APS, Argonne National Laboratory. Novel experimental methodologies to elucidate the presence of strain in fine nanocrystals are a necessary pre-requisite in order to better understand strain profiles in engineered nanocrystals for novel device development.

Field-induced antiferroelectric to ferroelectric transitions in (Pb 1–xLa x)(Zr 0.90Ti 0.10) 1–x/ 4O 3 investigated by in situ X-ray diffraction

DOE PAGES

Ciuchi, Ioana V.; Chung, Ching -Chang; Fancher, Christopher M.; ...

2017-06-17

Phase transitions and field-induced preferred orientation in (Pb 1-xLa x)(Zr 0.90Ti 0.10) 1–x/ 4O 3 (PLZT x/90/10) ceramics upon electric field cycling using in situ X-ray diffraction were studied. The evolution of the {200} pc and {111} pc diffraction line profiles indicate that PLZT 4/90/10 and PLZT 3/90/10 compositions undergo an antiferroelectric (AFE)–ferroelectric (FE) phase switching. Both PLZT 4/90/10 and PLZT 3/90/10 exhibit irreversible preferred orientation after experiencing the field-induced AFE-to-FE phase switching. An electric field-induced structure develops in both compositions which has a reversible character during the field decreasing in PLZT 4/90/10 and an irreversible character in PLZT 3/90/10.more » In addition, structural analysis of pre-poled PLZT 3/90/10 ceramics show that it is possible to induce consecutive FE-to-AFE and AFE-to-FE transitions when fields of reversed polarity are applied in sequence. The field range required to induce the AFE phase is broad, and the phase transition is kinetically slow. In conclusion, this kind of transition has rarely been reported before.« less

Field-induced antiferroelectric to ferroelectric transitions in (Pb 1–xLa x)(Zr 0.90Ti 0.10) 1–x/ 4O 3 investigated by in situ X-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ciuchi, Ioana V.; Chung, Ching -Chang; Fancher, Christopher M.

Phase transitions and field-induced preferred orientation in (Pb 1-xLa x)(Zr 0.90Ti 0.10) 1–x/ 4O 3 (PLZT x/90/10) ceramics upon electric field cycling using in situ X-ray diffraction were studied. The evolution of the {200} pc and {111} pc diffraction line profiles indicate that PLZT 4/90/10 and PLZT 3/90/10 compositions undergo an antiferroelectric (AFE)–ferroelectric (FE) phase switching. Both PLZT 4/90/10 and PLZT 3/90/10 exhibit irreversible preferred orientation after experiencing the field-induced AFE-to-FE phase switching. An electric field-induced structure develops in both compositions which has a reversible character during the field decreasing in PLZT 4/90/10 and an irreversible character in PLZT 3/90/10.more » In addition, structural analysis of pre-poled PLZT 3/90/10 ceramics show that it is possible to induce consecutive FE-to-AFE and AFE-to-FE transitions when fields of reversed polarity are applied in sequence. The field range required to induce the AFE phase is broad, and the phase transition is kinetically slow. In conclusion, this kind of transition has rarely been reported before.« less

Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity

PubMed Central

Abdullah, Malik Muhammad; Jurek, Zoltan; Son, Sang-Kil; Santra, Robin

2016-01-01

We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit, we employ a Monte-Carlo-molecular dynamics-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units, we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution, we have used two different spatial beam profiles, Gaussian and flattop. PMID:27478859

Wavefront modulation and subwavelength diffractive acoustics with an acoustic metasurface.

PubMed

Xie, Yangbo; Wang, Wenqi; Chen, Huanyang; Konneker, Adam; Popa, Bogdan-Ioan; Cummer, Steven A

2014-11-24

Metasurfaces are a family of novel wavefront-shaping devices with planar profile and subwavelength thickness. Acoustic metasurfaces with ultralow profile yet extraordinary wave manipulating properties would be highly desirable for improving the performance of many acoustic wave-based applications. However, designing acoustic metasurfaces with similar functionality to their electromagnetic counterparts remains challenging with traditional metamaterial design approaches. Here we present a design and realization of an acoustic metasurface based on tapered labyrinthine metamaterials. The demonstrated metasurface can not only steer an acoustic beam as expected from the generalized Snell's law, but also exhibits various unique properties such as conversion from propagating wave to surface mode, extraordinary beam-steering and apparent negative refraction through higher-order diffraction. Such designer acoustic metasurfaces provide a new design methodology for acoustic signal modulation devices and may be useful for applications such as acoustic imaging, beam steering, ultrasound lens design and acoustic surface wave-based applications.

High efficiency x-ray nanofocusing by the blazed stacking of binary zone plates

NASA Astrophysics Data System (ADS)

Mohacsi, I.; Karvinen, P.; Vartiainen, I.; Diaz, A.; Somogyi, A.; Kewish, C. M.; Mercere, P.; David, C.

2013-09-01

The focusing efficiency of binary Fresnel zone plate lenses is fundamentally limited and higher efficiency requires a multi step lens profile. To overcome the manufacturing problems of high resolution and high efficiency multistep zone plates, we investigate the concept of stacking two different binary zone plates in each other's optical near-field. We use a coarse zone plate with π phase shift and a double density fine zone plate with π/2 phase shift to produce an effective 4- step profile. Using a compact experimental setup with piezo actuators for alignment, we demonstrated 47.1% focusing efficiency at 6.5 keV using a pair of 500 μm diameter and 200 nm smallest zone width. Furthermore, we present a spatially resolved characterization method using multiple diffraction orders to identify manufacturing errors, alignment errors and pattern distortions and their effect on diffraction efficiency.

Fast and accurate focusing analysis of large photon sieve using pinhole ring diffraction model.

PubMed

Liu, Tao; Zhang, Xin; Wang, Lingjie; Wu, Yanxiong; Zhang, Jizhen; Qu, Hemeng

2015-06-10

In this paper, we developed a pinhole ring diffraction model for the focusing analysis of a large photon sieve. Instead of analyzing individual pinholes, we discuss the focusing of all of the pinholes in a single ring. An explicit equation for the diffracted field of individual pinhole ring has been proposed. We investigated the validity range of this generalized model and analytically describe the sufficient conditions for the validity of this pinhole ring diffraction model. A practical example and investigation reveals the high accuracy of the pinhole ring diffraction model. This simulation method could be used for fast and accurate focusing analysis of a large photon sieve.

Effects of moiré lattice structure on electronic properties of graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Lunan; Wu, Yun; Hershberger, M. T.

Here, we study structural and electronic properties of graphene grown on silicone carbide (SiC) substrate using a scanning tunneling microscope, spot-profile-analysis low-energy electron diffraction, and angle-resolved photoemission spectroscopy. We find several new replicas of Dirac cones in the Brillouin zone. Their locations can be understood in terms of a combination of basis vectors linked to SiC 6 × 6 and graphene 6√3×6√3 reconstruction. Therefore, these new features originate from the moiré caused by the lattice mismatch between SiC and graphene. More specifically, Dirac cone replicas are caused by underlying weak modulation of the ionic potential by the substrate that ismore » then experienced by the electrons in the graphene. We also demonstrate that this effect is equally strong in single- and trilayer graphene; therefore, the additional Dirac cones are intrinsic features rather than the result of photoelectron diffraction. These new features in the electronic structure are very important for the interpretation of recent transport measurements and can assist in tuning the properties of graphene for practical applications.« less

Deep-etched sinusoidal polarizing beam splitter grating.

PubMed

Feng, Jijun; Zhou, Changhe; Cao, Hongchao; Lv, Peng

2010-04-01

A sinusoidal-shaped fused-silica grating as a highly efficient polarizing beam splitter (PBS) is investigated based on the simplified modal method. The grating structure depends mainly on the ratio of groove depth to grating period and the ratio of incident wavelength to grating period. These ratios can be used as a guideline for the grating design at different wavelengths. A sinusoidal-groove PBS grating is designed at a wavelength of 1310 nm under Littrow mounting, and the transmitted TM and TE polarized waves are mainly diffracted into the zeroth order and the -1st order, respectively. The grating profile is optimized by using rigorous coupled-wave analysis. The designed PBS grating is highly efficient (>95.98%) over the O-band wavelength range (1260-1360 nm) for both TE and TM polarizations. The sinusoidal grating can exhibit higher diffraction efficiency, larger extinction ratio, and less reflection loss than the rectangular-groove PBS grating. By applying wet etching technology on the rectangular grating, which was manufactured by holographic recording and inductively coupled plasma etching technology, the sinusoidal grating can be approximately fabricated. Experimental results are in agreement with theoretical values.

Analysis of holographic polymer-dispersed liquid crystals (HPDLCs) for tunable low frequency diffractive optical elements recording

NASA Astrophysics Data System (ADS)

Fernández, R.; Gallego, S.; Márquez, A.; Francés, J.; Martínez, F. J.; Pascual, I.; Beléndez, A.

2018-02-01

Holographic polymer dispersed liquid crystals (HPDLCs) are the result of the optimization of the photopolymer fabrication techniques. They are made by recording in a photopolymerization induced phase separation process (PIPS) in which the liquid crystal molecules diffuse to dark zones in the diffraction grating originated. Thanks to the addition of liquid crystal molecules to the composition, this material has a dynamic behavior by reorientation of the liquid crystal molecules applying an electrical field. In this sense, it is possible to use this material to make dynamic devices. In this work, we study the behavior of this material working in low frequencies with different spatial periods of blazed gratings, a sharp profile whose recording is possible thanks to the addition of a Holoeye LCoS-Pluto spatial light modulator with a resolution of 1920 × 1080 pixels (HD) and a pixel size of 8 × 8 μm2. This device allows us to have an accurate and dynamic control of the phase and amplitude of the recording beam.

Effects of moiré lattice structure on electronic properties of graphene

NASA Astrophysics Data System (ADS)

Huang, Lunan; Wu, Yun; Hershberger, M. T.; Mou, Daixiang; Schrunk, Benjamin; Tringides, Michael C.; Hupalo, Myron; Kaminski, Adam

2017-07-01

We study structural and electronic properties of graphene grown on silicone carbide (SiC) substrate using a scanning tunneling microscope, spot-profile-analysis low-energy electron diffraction, and angle-resolved photoemission spectroscopy. We find several new replicas of Dirac cones in the Brillouin zone. Their locations can be understood in terms of a combination of basis vectors linked to SiC 6 × 6 and graphene 6 √{3 }×6 √{3 } reconstruction. Therefore, these new features originate from the moiré caused by the lattice mismatch between SiC and graphene. More specifically, Dirac cone replicas are caused by underlying weak modulation of the ionic potential by the substrate that is then experienced by the electrons in the graphene. We also demonstrate that this effect is equally strong in single- and trilayer graphene; therefore, the additional Dirac cones are intrinsic features rather than the result of photoelectron diffraction. These new features in the electronic structure are very important for the interpretation of recent transport measurements and can assist in tuning the properties of graphene for practical applications.

Wideband two-port beam splitter of a binary fused-silica phase grating.

PubMed

Wang, Bo; Zhou, Changhe; Feng, Jijun; Ru, Huayi; Zheng, Jiangjun

2008-08-01

The usual beam splitter of multilayer-coated film with a wideband spectrum is not easy to achieve. We describe the realization of a wideband transmission two-port beam splitter based on a binary fused-silica phase grating. To achieve high efficiency and equality in the diffracted 0th and -1st orders, the grating profile parameters are optimized using rigorous coupled-wave analysis at a wavelength of 1550 nm. Holographic recording and the inductively coupled plasma dry etching technique are used to fabricate the fused-silica beam splitter grating. The measured efficiency of (45% x 2) = 90% diffracted into the both orders can be obtained with the fabricated grating under Littrow mounting. The physical mechanism of such a wideband two-port beam splitter grating can be well explained by the modal method based on two-beam interference of the modes excited by the incident wave. With the high damage threshold, low coefficient of thermal expansion, and wideband high efficiency, the presented beam splitter etched in fused silica should be a useful optical element for a variety of practical applications.

Cocrystals of acyclovir with promising physicochemical properties.

PubMed

Sarkar, Anindita; Rohani, Sohrab

2015-01-01

Cocrystal forming ability of antiviral drug acyclovir (ACV) with different coformers was studied. Three cocrystals containing ACV with fumaric acid, malonic acid, and DL-tartaric acid were isolated. Methods of cocrystallization included grinding with dropwise solvent addition and solvent evaporation. The cocrystals were characterized by powder X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis. The crystal structure of the cocrystal with fumaric acid as conformer was determined by single crystal X-ray diffraction. Formation of supramolecular synthon was observed in the cocrystal. Stability with respect to relative humidity for the three cocrystals was evaluated. The aqueous solubility of the ACV-cocrystal materials was significantly improved with a maximum of malonic acid cocrystal, which was about six times more soluble at 35°C compared with that of parent ACV. The dissolution profile indicates that at any particular dissolution time, the concentration of cocrystals in the solution was higher than that of the parent ACV, and malonic acid cocrystals had a maximum release of about twice than the hydrated ACV. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Effects of moiré lattice structure on electronic properties of graphene

DOE PAGES

Huang, Lunan; Wu, Yun; Hershberger, M. T.; ...

2017-07-10

Here, we study structural and electronic properties of graphene grown on silicone carbide (SiC) substrate using a scanning tunneling microscope, spot-profile-analysis low-energy electron diffraction, and angle-resolved photoemission spectroscopy. We find several new replicas of Dirac cones in the Brillouin zone. Their locations can be understood in terms of a combination of basis vectors linked to SiC 6 × 6 and graphene 6√3×6√3 reconstruction. Therefore, these new features originate from the moiré caused by the lattice mismatch between SiC and graphene. More specifically, Dirac cone replicas are caused by underlying weak modulation of the ionic potential by the substrate that ismore » then experienced by the electrons in the graphene. We also demonstrate that this effect is equally strong in single- and trilayer graphene; therefore, the additional Dirac cones are intrinsic features rather than the result of photoelectron diffraction. These new features in the electronic structure are very important for the interpretation of recent transport measurements and can assist in tuning the properties of graphene for practical applications.« less

Analysis of optical scheme for medium-range directed energy laser weapon system

NASA Astrophysics Data System (ADS)

Jabczyński, Jan K.; Kaśków, Mateusz; Gorajek, Łukasz; Kopczyński, Krzysztof

2017-10-01

The relations between range of operation and aperture of laser weapon system were investigated, taking into account diffraction and technical limitations as beam quality, accuracy of point tracking, technical quality of optical train, etc. As a result for the medium ranges of 1 - 2 km we restricted the analysis to apertures not wider than 150 mm and the optical system without adaptive optics. To choose the best laser beam shape, the minimization of aperture losses and thermooptical effects inside optics as well as the effective width of laser beam in far field should be taken into account. We have analyzed theoretically such a problem for the group of a few most interesting from that point of view profiles including for reference two limiting cases of Gaussian beam and `top hat' profile. We have found that the most promising is the SuperGaussian profile of index p = 2 for which the surfaces of beam shaper elements can be manufactured in the acceptable cost-effective way and beam quality does not decrease noticeably. Further, we have investigated the thermo-optic effects on the far field parameters of Gaussian and `top hat' beams to determine the influence of absorption in optical elements on beam quality degradation. The simplified formulae were derived for beam quality measures (parameter M2 and Strehl ratio) which enables to estimate the influence of absorption losses on degradation of beam quality.

Catastrophe Optics Method to Determine the Micro-Nano Size Profiles at TPL of Liquid Films on a Solid Surface

NASA Technical Reports Server (NTRS)

Chao, David F.; McQuillen, J. B.; Sankovic, J. M.; Zhang, Nengli

2009-01-01

As discovered by recent studies, what directly affects the wetting and spreading is curvature in micro-region rather than the macroscopic contact angle. Measuring the profile of the micro-region becomes an important research topic. Recently, catastrophe optics has been applied to this kind of measurements. Optical catastrophe occurring in far field of waves of liquid-refracted laser beam implies a wealth of information about the liquid spreading not only for liquid drops but also for films. When a parallel laser beam passes through a liquid film on a slide glass at three-phase-line (TPL), very interesting optical image patterns occur on a screen far from the film. An analysis based on catastrophe optics discloses and interprets the formation of these optical image patterns. The analysis reveals that the caustic line manifested as the bright-thick line on the screen implies the lowest hierarchy of optical catastrophes, called fold caustic. This optical catastrophe is produced by the inflexion line on liquid surface at the liquid foot, which is formed not only in the spreading of drops but also in spreading of films. The generalized catastrophe optics method enables to identify the edge profiles and determine the edge foot height of liquid films. Keywords: Crossover region, Inflexion line, liquid edge foot, Catastrophe optics, Caustic and diffraction

Method and apparatus for reducing diffraction-induced damage in high power laser amplifier systems

DOEpatents

Campillo, Anthony J.; Newnam, Brian E.; Shapiro, Stanley L.; Terrell, Jr., N. James

1976-01-01

Self-focusing damage caused by diffraction in laser amplifier systems may be minimized by appropriately tailoring the input optical beam profile by passing the beam through an aperture having a uniform high optical transmission within a particular radius r.sub.o and a transmission which drops gradually to a low value at greater radii. Apertures having the desired transmission characteristics may readily be manufactured by exposing high resolution photographic films and plates to a diffuse, disk-shaped light source and mask arrangement.

Inversion of the anomalous diffraction approximation for variable complex index of refraction near unity. [numerical tests for water-haze aerosol model

NASA Technical Reports Server (NTRS)

Smith, C. B.

1982-01-01

The Fymat analytic inversion method for retrieving a particle-area distribution function from anomalous diffraction multispectral extinction data and total area is generalized to the case of a variable complex refractive index m(lambda) near unity depending on spectral wavelength lambda. Inversion tests are presented for a water-haze aerosol model. An upper-phase shift limit of 5 pi/2 retrieved an accurate peak area distribution profile. Analytical corrections using both the total number and area improved the inversion.

Characterization of crystallographic properties of thin films using X-ray diffraction

NASA Astrophysics Data System (ADS)

Zoo, Yeongseok

2007-12-01

Silver (Ag) has been recognized as one of promising candidates in Ultra-Large Scale Integrated (ULSI) applications in that it has the lowest bulk electrical resistivity of all pure metals and higher electromigration resistance than other interconnect materials. However, low thermal stability on Silicon Dioxide (Si02) at high temperatures (e.g., agglomeration) is considered a drawback for the Ag metallization scheme. Moreover, if a thin film is attached on a substrate, its properties may differ significantly from that of the bulk, since the properties of thin films can be significantly affected by the substrate. In this study, the Coefficient of Thermal Expansion (CTE) and texture evolution of Ag thin films on different substrates were characterized using various analytical techniques. The experimental results showed that the CTE of the Ag thin film was significantly affected by underlying substrate and the surface roughness of substrate. To investigate the alloying effect for Ag meatallization, small amounts of Copper (Cu) were added and characterized using theta-2theta X-ray Diffraction (XRD) scan and pole figure analysis. These XRD techniques are useful for investigating the primary texture of a metal film, (111) in this study, which (111) is the notation of a specific plane in the orthogonal coordinate system. They revealed that the (111) textures of Ag and Ag(Cu) thin films were enhanced with increasing temperature. Comparison of texture profiles between Ag and Ag(Cu) thin films showed that Cu additions enhanced (111) texture in Ag thin films. Accordingly, the texture enhancement in Ag thin films by Cu addition was discussed. Strained Silicon-On-Insulator (SSOI) is being considered as a potential substrate for Complementary Metal-Oxide-Semiconductor (CMOS) technology since the induced strain results in a significant improvement in device performance. High resolution X-ray diffraction (XRD) techniques were used to characterize the perpendicular and parallel strains in SSOI layers. XRD diffraction profiles generated from the crystalline SSOI layer provided a direct measurement of the layer's strain components. In addition, it has demonstrated that the rotational misalignment between the layer and the substrate can be incorporated within the biaxial strain equations for epitaxial layers. Based on these results, the strain behavior of the SSOI layer and the relation between strained Si and SiO2 layers are discussed for annealed samples.

Automated Micro-Object Detection for Mobile Diagnostics Using Lens-Free Imaging Technology

PubMed Central

Roy, Mohendra; Seo, Dongmin; Oh, Sangwoo; Chae, Yeonghun; Nam, Myung-Hyun; Seo, Sungkyu

2016-01-01

Lens-free imaging technology has been extensively used recently for microparticle and biological cell analysis because of its high throughput, low cost, and simple and compact arrangement. However, this technology still lacks a dedicated and automated detection system. In this paper, we describe a custom-developed automated micro-object detection method for a lens-free imaging system. In our previous work (Roy et al.), we developed a lens-free imaging system using low-cost components. This system was used to generate and capture the diffraction patterns of micro-objects and a global threshold was used to locate the diffraction patterns. In this work we used the same setup to develop an improved automated detection and analysis algorithm based on adaptive threshold and clustering of signals. For this purpose images from the lens-free system were then used to understand the features and characteristics of the diffraction patterns of several types of samples. On the basis of this information, we custom-developed an automated algorithm for the lens-free imaging system. Next, all the lens-free images were processed using this custom-developed automated algorithm. The performance of this approach was evaluated by comparing the counting results with standard optical microscope results. We evaluated the counting results for polystyrene microbeads, red blood cells, HepG2, HeLa, and MCF7 cells lines. The comparison shows good agreement between the systems, with a correlation coefficient of 0.91 and linearity slope of 0.877. We also evaluated the automated size profiles of the microparticle samples. This Wi-Fi-enabled lens-free imaging system, along with the dedicated software, possesses great potential for telemedicine applications in resource-limited settings. PMID:27164146

[Analysis of XRD spectral characteristics of soil clay mineral in two typical cultivated soils].

PubMed

Zhang, Zhi-Dan; Luo, Xiang-Li; Jiang, Hai-Chao; Li, Qiao; Shen, Cong-Ying; Liu, Hang; Zhou, Ya-Juan; Zhao, Lan-Po; Wang, Ji-Hong

2014-07-01

The present paper took black soil and chernozem, the typical cultivated soil in major grain producing area of Northeast, as the study object, and determinated the soil particle composition characteristics of two cultivated soils under the same climate and location. Then XRD was used to study the composition and difference of clay mineral in two kinds of soil and the evolutionary mechanism was explored. The results showed that the two kinds of soil particles were composed mainly of the sand, followed by clay and silt. When the particle accumulation rate reached 50%, the central particle size was in the 15-130 microm interval. Except for black soil profile of Shengli Xiang, the content of clay showed converse sequence to the central particle in two soils. Clay accumulated under upper layer (18.82%) in black soil profile while under caliche layer (17.41%) in chernozem profile. Clay content was the least in parent material horizon except in black profile of Quanyanling. Analysis of clay XRD atlas showed that the difference lied in not only the strength of diffraction peak, but also in the mineral composition. The main contents of black soil and chernozem were both 2 : 1 clay, the composition of black soil was smectite/illite mixed layer-illite-vermiculite and that of chernozem was S/I mixture-illite-montmorillonite, and both of them contained little kaolinite, chlorite, quartz and other primary mineral. This paper used XRD to determine the characteristics of clay minerals comprehensively, and analyzed two kinds of typical cultivated soil comparatively, and it was a new perspective of soil minerals study.

The crystal structure of paramagnetic copper(II) oxalate (CuC₂O₄): formation and thermal decomposition of randomly stacked anisotropic nano-sized crystallites.

PubMed

Christensen, Axel Nørlund; Lebech, Bente; Andersen, Niels Hessel; Grivel, Jean-Claude

2014-11-28

Synthetic copper(II) oxalate, CuC2O4, was obtained in a precipitation reaction between a copper(II) solution and an aqueous solution of oxalic acid. The product was identified from its conventional X-ray powder patterns which match that of the copper mineral Moolooite reported to have the composition CuC2O4·0.44H2O. Time resolved in situ investigations of the thermal decomposition of copper(II) oxalate using synchrotron X-ray powder diffraction showed that in air the compound converts to Cu2O at 215 °C and oxidizes to CuO at 345 °C. Thermo gravimetric analysis performed in an inert Ar-gas reveals that the material contains no crystal water and reduces to pure Cu at 295 °C. Magnetic susceptibility measurements in the temperature range from 2 K to 300 K show intriguing paramagnetic behaviour with no sign of magnetic order down to 2 K. A crystal structure investigation is made based on powder diffraction data using one neutron diffraction pattern obtained at 5 K (λ = 1.5949(1) Å) combined with one conventional and two synchrotron X-ray diffraction patterns obtained at ambient temperature using λ = 1.54056, 1.0981 and λ = 0.50483(1) Å, respectively. Based on the X-ray synchrotron data the resulting crystal structure is described in the monoclinic space group P2₁/c (#14) in the P12₁/n1 setting with unit cell parameters a = 5.9598(1) Å, b = 5.6089(1) Å, c = 5.1138 (1) Å, β = 115.320(1)°. The composition is CuC2O4 with atomic coordinates determined by FullProf refinement of the neutron diffraction data. The crystal structure consists of a random stacking of CuC2O4 micro-crystallites where half the Cu-atoms are placed at (2a) and the other half at (2b) positions with the corresponding oxalate molecules centred around the corresponding (2b) and (2a) site positions, respectively. The diffraction patterns obtained for both kinds of radiation show considerable broadening of several Bragg peaks caused by highly anisotropic microstructural size and strain effects. In contrast to the water reported to be present in Moolooite, neither thermogravimetric nor the in situ thermal decomposition investigations and crystal structure analysis of the neutron diffraction data revealed any trace of water. An appendix contains details about the profile parameters for the diffractometers used at the European Synchrotron Radiation Facility and the Institute Max von Laue-Paul Langevin.

Refractive-index profile and physical process determination in thick gratings in electrooptic crystals

NASA Technical Reports Server (NTRS)

Su, S. F.; Gaylord, T. K.

1976-01-01

A method for determining the refractive index profile of thick phase gratings in linear electrooptic crystals is presented. This method also determines the effective photovoltaic electric field and the relative contributions of diffusion and drift during hologram recording. The method requires only a knowledge of the modulation ratio during hologram recording and the fundamental and the higher-order diffraction efficiencies of the grating. As an illustration of the method, the refractive index profile, the effective photovoltaic field, and the relative contributions of diffusion and drift are determined from experimental measurements for a lithium niobate holographic grating.

Quantification of local strain distributions in nanoscale strained SiGe FinFET structures

NASA Astrophysics Data System (ADS)

Mochizuki, Shogo; Murray, Conal E.; Madan, Anita; Pinto, Teresa; Wang, Yun-Yu; Li, Juntao; Weng, Weihao; Jagannathan, Hemanth; Imai, Yasuhiko; Kimura, Shigeru; Takeuchi, Shotaro; Sakai, Akira

2017-10-01

Strain within nanoscale strained SiGe FinFET structures has been investigated using a combination of X-ray diffraction and transmission electron microscopy-based nanobeam diffraction (NBD) techniques to reveal the evolution of the stress state within the FinFETs. Reciprocal space maps collected using high-resolution X-ray diffraction exhibited distinct features corresponding to the SiGe fin width, pitch, and lattice deformation and were analyzed to quantify the state of stress within the fins. Although the majority of the SiGe fin volume exhibited a uniaxial stress state due to elastic relaxation of the transverse in-plane stress, NBD measurements confirmed a small interaction region near the SOI interface that is mechanically constrained by the underlying substrate. We have quantitatively characterized the evolution of the fin stress state from biaxial to uniaxial as a function of fin aspect ratio and Ge fraction and confirmed that the fins obey elastic deformation based on a model that depends on the relative difference between the equilibrium Si and SiGe lattice constants and relative fraction of in-plane stress transverse to the SiGe fins. Spatially resolved, nanobeam X-ray diffraction measurements conducted near the SiGe fin edge indicate the presence of additional elastic relaxation from a uniaxial stress state to a fully relaxed state at the fin edge. Mapping of the lattice deformation within 500 nm of this fin edge by NBD revealed large gradients, particularly at the top corner of the fin. The values of the volume averaged lattice deformation obtained by nanoXRD and NBD are qualitatively consistent. Furthermore, the modulation of strain at the fin edge obtained by quantitative analysis of the nanoXRD results agrees with the lattice deformation profile obtained by NBD.

Single-slit electron diffraction with Aharonov-Bohm phase: Feynman's thought experiment with quantum point contacts.

PubMed

Khatua, Pradip; Bansal, Bhavtosh; Shahar, Dan

2014-01-10

In a "thought experiment," now a classic in physics pedagogy, Feynman visualizes Young's double-slit interference experiment with electrons in magnetic field. He shows that the addition of an Aharonov-Bohm phase is equivalent to shifting the zero-field wave interference pattern by an angle expected from the Lorentz force calculation for classical particles. We have performed this experiment with one slit, instead of two, where ballistic electrons within two-dimensional electron gas diffract through a small orifice formed by a quantum point contact (QPC). As the QPC width is comparable to the electron wavelength, the observed intensity profile is further modulated by the transverse waveguide modes present at the injector QPC. Our experiments open the way to realizing diffraction-based ideas in mesoscopic physics.

In situ x-ray diffraction measurements of the capillary fountain jet produced via ultrasonic atomization.

PubMed

Yano, Yohko F; Douguchi, Junya; Kumagai, Atsushi; Iijima, Takao; Tomida, Yukinobu; Miyamoto, Toshiaki; Matsuura, Kazuo

2006-11-07

In situ x-ray diffraction measurements were carried out for investigating the liquid structure in the ultrasonic fountain jet to consider the mechanism of the "ultrasonic ethanol separation" reported by Sato et al. [J. Chem. Phys. 114, 2382 (2001)]. For pure liquids (water and ethanol), it was found that the high frequency ultrasound does not affect the liquid structure microscopically. For the 20 mol % ethanol-water mixture, the estimated ethanol mole fraction in the ultrasonic fountain jet by using the position of the main maximum in the x-ray diffraction profile coincided with that in the reservoir. This result suggests that the ethanol separation is not caused by any distorted liquid structure under the ultrasound irradiation and occurs when or after the generation of the liquid droplet mist.

In situ x-ray diffraction measurements of the capillary fountain jet produced via ultrasonic atomization

NASA Astrophysics Data System (ADS)

Yano, Yohko F.; Douguchi, Junya; Kumagai, Atsushi; Iijima, Takao; Tomida, Yukinobu; Miyamoto, Toshiaki; Matsuura, Kazuo

2006-11-01

In situ x-ray diffraction measurements were carried out for investigating the liquid structure in the ultrasonic fountain jet to consider the mechanism of the "ultrasonic ethanol separation" reported by Sato et al. [J. Chem. Phys. 114, 2382 (2001)]. For pure liquids (water and ethanol), it was found that the high frequency ultrasound does not affect the liquid structure microscopically. For the 20mol% ethanol-water mixture, the estimated ethanol mole fraction in the ultrasonic fountain jet by using the position of the main maximum in the x-ray diffraction profile coincided with that in the reservoir. This result suggests that the ethanol separation is not caused by any distorted liquid structure under the ultrasound irradiation and occurs when or after the generation of the liquid droplet mist.

Neutron and X-ray Microbeam Diffraction Studies around a Fatigue-Crack Tip after Overload

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sooyeol; Barabash, Rozaliya; Chung, Jin-Seok

2008-01-01

An in-situ neutron diffraction technique was used to investigate the lattice-strain distributions and plastic deformation around a crack tip after overload. The lattice-strain profiles around a crack tip were measured as a function of the applied load during the tensile loading cycles after overload. Dislocation densities calculated from the diffraction peak broadening were presented as a function of the distance from the crack tip. Furthermore, the crystallographic orientation variations were examined near a crack tip using polychromatic X-ray microdiffraction combined with differential aperture microscopy. Crystallographic tilts are considerably observed beneath the surface around a crack tip, and these are consistentmore » with the high dislocation densities near the crack tip measured by neutron peak broadening.« less

Electron-beam lithography for micro and nano-optical applications

NASA Technical Reports Server (NTRS)

Wilson, Daniel W.; Muller, Richard E.; Echternach, Pierre M.

2005-01-01

Direct-write electron-beam lithography has proven to be a powerful technique for fabricating a variety of micro- and nano-optical devices. Binary E-beam lithography is the workhorse technique for fabricating optical devices that require complicated precision nano-scale features. We describe a bi-layer resist system and virtual-mark height measurement for improving the reliability of fabricating binary patterns. Analog E-beam lithography is a newer technique that has found significant application in the fabrication of diffractive optical elements. We describe our techniques for fabricating analog surface-relief profiles in E-beam resist, including some discussion regarding overcoming the problems of resist heating and charging. We also describe a multiple-field-size exposure scheme for suppression of field-stitch induced ghost diffraction orders produced by blazed diffraction gratings on non-flat substrates.

Light distribution in diffractive multifocal optics and its optimization.

PubMed

Portney, Valdemar

2011-11-01

To expand a geometrical model of diffraction efficiency and its interpretation to the multifocal optic and to introduce formulas for analysis of far and near light distribution and their application to multifocal intraocular lenses (IOLs) and to diffraction efficiency optimization. Medical device consulting firm, Newport Coast, California, USA. Experimental study. Application of a geometrical model to the kinoform (single focus diffractive optical element) was expanded to a multifocal optic to produce analytical definitions of light split between far and near images and light loss to other diffraction orders. The geometrical model gave a simple interpretation of light split in a diffractive multifocal IOL. An analytical definition of light split between far, near, and light loss was introduced as curve fitting formulas. Several examples of application to common multifocal diffractive IOLs were developed; for example, to light-split change with wavelength. The analytical definition of diffraction efficiency may assist in optimization of multifocal diffractive optics that minimize light loss. Formulas for analysis of light split between different foci of multifocal diffractive IOLs are useful in interpreting diffraction efficiency dependence on physical characteristics, such as blaze heights of the diffractive grooves and wavelength of light, as well as for optimizing multifocal diffractive optics. Disclosure is found in the footnotes. Copyright © 2011 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

Frequency analysis for modulation-enhanced powder diffraction.

PubMed

Chernyshov, Dmitry; Dyadkin, Vadim; van Beek, Wouter; Urakawa, Atsushi

2016-07-01

Periodic modulation of external conditions on a crystalline sample with a consequent analysis of periodic diffraction response has been recently proposed as a tool to enhance experimental sensitivity for minor structural changes. Here the intensity distributions for both a linear and nonlinear structural response induced by a symmetric and periodic stimulus are analysed. The analysis is further extended for powder diffraction when an external perturbation changes not only the intensity of Bragg lines but also their positions. The derived results should serve as a basis for a quantitative modelling of modulation-enhanced diffraction data measured in real conditions.

Quantitative analysis of thoria phase in Th-U alloys using diffraction studies

NASA Astrophysics Data System (ADS)

Thakur, Shital; Krishna, P. S. R.; Shinde, A. B.; Kumar, Raj; Roy, S. B.

2017-05-01

In the present study the quantitative phase analysis of Th-U alloys in bulk form namely Th-52 wt% U and Th-3wt%U has been performed over the data obtained from both X ray diffraction and neutron diffraction technique using Rietveld method of FULLPROF software. Quantifying thoria (ThO2) phase present in bulk of the sample is limited due to surface oxidation and low penetration of x rays in high Z material. Neutron diffraction study probing bulk of the samples has been presented in comparison with x-ray diffraction study.

Optimization of Surface Roughness Parameters of Al-6351 Alloy in EDC Process: A Taguchi Coupled Fuzzy Logic Approach

NASA Astrophysics Data System (ADS)

Kar, Siddhartha; Chakraborty, Sujoy; Dey, Vidyut; Ghosh, Subrata Kumar

2017-10-01

This paper investigates the application of Taguchi method with fuzzy logic for multi objective optimization of roughness parameters in electro discharge coating process of Al-6351 alloy with powder metallurgical compacted SiC/Cu tool. A Taguchi L16 orthogonal array was employed to investigate the roughness parameters by varying tool parameters like composition and compaction load and electro discharge machining parameters like pulse-on time and peak current. Crucial roughness parameters like Centre line average roughness, Average maximum height of the profile and Mean spacing of local peaks of the profile were measured on the coated specimen. The signal to noise ratios were fuzzified to optimize the roughness parameters through a single comprehensive output measure (COM). Best COM obtained with lower values of compaction load, pulse-on time and current and 30:70 (SiC:Cu) composition of tool. Analysis of variance is carried out and a significant COM model is observed with peak current yielding highest contribution followed by pulse-on time, compaction load and composition. The deposited layer is characterised by X-Ray Diffraction analysis which confirmed the presence of tool materials on the work piece surface.

Line profile analysis of ODS steels Fe20Cr5AlTiY milled powders at different Y2O3 concentrations

NASA Astrophysics Data System (ADS)

Afandi, A.; Nisa, R.; Thosin, K. A. Z.

2017-04-01

Mechanical properties of material are largely dictated by constituent microstructure parameters such as dislocation density, lattice microstrain, crystallite size and its distribution. To develop ultra-fine grain alloys such as Oxide Dispersion Strengthened (ODS) alloys, mechanical alloying is crucial step to introduce crystal defects, and refining the crystallite size. In this research the ODS sample powders were mechanically alloyed with different Y2O3 concentration respectively of 0.5, 1, 3, and 5 wt%. MA process was conducted with High Energy Milling (HEM) with the ball to powder ratio of 15:1. The vial and the ball were made of alumina, and the milling condition is set 200 r.p.m constant. The ODS powders were investigated by X-Ray Diffractions (XRD), Bragg-Brentano setup of SmartLab Rigaku with 40 KV, and 30 mA, step size using 0.02°, with scanning speed of 4°min-1. Line Profile Analysis (LPA) of classical Williamson-Hall was carried out, with the aim to investigate the different crystallite size, and microstrain due to the selection of the full wide at half maximum (FWHM) and integral breadth.

PSF modeling by spikes simulations and wings measurements for the MOONS multi fiber spectrograph

NASA Astrophysics Data System (ADS)

Li Causi, G.; Lee, D.; Vitali, F.; Royer, F.; Oliva, E.

2016-08-01

The optical design of MOONS, the next generation thousand-fiber NIR spectrograph for the VLT, involves both on-axis reflective collimators and on-axis very fast reflective cameras, which yields both beam obstruction, due to fiber slit and detector support, and image spread, due to propagation within detector substrate. The need to model and control i) the effect of the diffraction spikes produced by these obstructions, ii) the detector-induced shape variation of the Point Spread Function (PSF), and iii) the intensity profile of the PSF wings, leads us to perform both simulations and lab measurements, in order to optimize the spider design and built a reliable PSF model, useful for simulate realistic raw images for testing the data reduction. Starting from the unobstructed PSF variation, as computed with the ZEMAX software, we numerically computed the diffraction spikes for different spider shapes, to which we added the PSF wing profile, as measured on a sample of the MOONS VPH diffraction grating. Finally, we implemented the PSF defocusing due to the thick detector (for the visible channel), we convolved the PSF with the fiber core image, and we added the optical ghosts, so finally obtaining a detailed and realistic PSF model, that we use for spectral extraction testing, cross talk estimation, and sensitivity predictions.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khanbabaee, B., E-mail: khanbabaee@physik.uni-siegen.de; Pietsch, U.; Facsko, S.

2014-10-20

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

Multivariate analysis of DSC-XRD simultaneous measurement data: a study of multistage crystalline structure changes in a linear poly(ethylene imine) thin film.

PubMed

Kakuda, Hiroyuki; Okada, Tetsuo; Otsuka, Makoto; Katsumoto, Yukiteru; Hasegawa, Takeshi

2009-01-01

A multivariate analytical technique has been applied to the analysis of simultaneous measurement data from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) in order to study thermal changes in crystalline structure of a linear poly(ethylene imine) (LPEI) film. A large number of XRD patterns generated from the simultaneous measurements were subjected to an augmented alternative least-squares (ALS) regression analysis, and the XRD patterns were readily decomposed into chemically independent XRD patterns and their thermal profiles were also obtained at the same time. The decomposed XRD patterns and the profiles were useful in discussing the minute peaks in the DSC. The analytical results revealed the following changes of polymorphisms in detail: An LPEI film prepared by casting an aqueous solution was composed of sesquihydrate and hemihydrate crystals. The sesquihydrate one was lost at an early stage of heating, and the film changed into an amorphous state. Once the sesquihydrate was lost by heating, it was not recovered even when it was cooled back to room temperature. When the sample was heated again, structural changes were found between the hemihydrate and the amorphous components. In this manner, the simultaneous DSC-XRD measurements combined with ALS analysis proved to be powerful for obtaining a better understanding of the thermally induced changes of the crystalline structure in a polymer film.

Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis

PubMed Central

Fancher, Chris M.; Han, Zhen; Levin, Igor; Page, Katharine; Reich, Brian J.; Smith, Ralph C.; Wilson, Alyson G.; Jones, Jacob L.

2016-01-01

A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method is demonstrated by analyzing a National Institute of Standards and Technology silicon standard reference material. The results obtained by Bayesian inference are compared with those determined by Rietveld refinement. Posterior probability distributions of model parameters provide both estimates and uncertainties. The new method better estimates the true uncertainties in the model as compared to the Rietveld method. PMID:27550221

Evolution of Dislocation Density During Tensile Deformation of BH220 Steel at Different Pre-strain Conditions

NASA Astrophysics Data System (ADS)

Seth, Prem Prakash; Das, A.; Bar, H. N.; Sivaprasad, S.; Basu, A.; Dutta, K.

2015-07-01

Tensile behavior of BH220 steel with different pre-strain conditions (2 and 8%) followed by bake hardening was studied at different strain rates (0.001 and 0.1/s). Dislocation densities of the deformed specimens were successfully estimated from x-ray diffraction profile analysis using the modified Williamson-Hall equation. The results indicate that other than 2% pre-strain the dislocation density increases with increase in pre-strain level as well as with strain rate. The decrease in the dislocation density in 2% pre-strain condition without any drop in strength value is attributed to the characteristic dislocation feature formed during pre-straining.

Profiling pleural effusion cells by a diffraction imaging method

NASA Astrophysics Data System (ADS)

Al-Qaysi, Safaa; Hong, Heng; Wen, Yuhua; Lu, Jun Q.; Feng, Yuanming; Hu, Xin-Hua

2018-02-01

Assay of cells in pleural effusion (PE) is an important means of disease diagnosis. Conventional cytology of effusion samples, however, has low sensitivity and depends heavily on the expertise of cytopathologists. We applied a polarization diffraction imaging flow cytometry method on effusion cells to investigate their features. Diffraction imaging of the PE cell samples has been performed on 6000 to 12000 cells for each effusion cell sample of three patients. After prescreening to remove images by cellular debris and aggregated non-cellular particles, the image textures were extracted with a gray level co-occurrence matrix (GLCM) algorithm. The distribution of the imaged cells in the GLCM parameters space was analyzed by a Gaussian Mixture Model (GMM) to determine the number of clusters among the effusion cells. These results yield insight on textural features of diffraction images and related cellular morphology in effusion samples and can be used toward the development of a label-free method for effusion cells assay.

Toward in situ x-ray diffraction imaging at the nanometer scale

NASA Astrophysics Data System (ADS)

Zatsepin, Nadia A.; Dilanian, Ruben A.; Nikulin, Andrei Y.; Gable, Brian M.; Muddle, Barry C.; Sakata, Osami

2008-08-01

We present the results of preliminary investigations determining the sensitivity and applicability of a novel x-ray diffraction based nanoscale imaging technique, including simulations and experiments. The ultimate aim of this nascent technique is non-destructive, bulk-material characterization on the nanometer scale, involving three dimensional image reconstructions of embedded nanoparticles and in situ sample characterization. The approach is insensitive to x-ray coherence, making it applicable to synchrotron and laboratory hard x-ray sources, opening the possibility of unprecedented nanometer resolution with the latter. The technique is being developed with a focus on analyzing a technologically important light metal alloy, Al-xCu (where x is 2.0-5.0 %wt). The mono- and polycrystalline samples contain crystallographically oriented, weakly diffracting Al2Cu nanoprecipitates in a sparse, spatially random dispersion within the Al matrix. By employing a triple-axis diffractometer in the non-dispersive setup we collected two-dimensional reciprocal space maps of synchrotron x-rays diffracted from the Al2Cu nanoparticles. The intensity profiles of the diffraction peaks confirmed the sensitivity of the technique to the presence and orientation of the nanoparticles. This is a fundamental step towards in situ observation of such extremely sparse, weakly diffracting nanoprecipitates embedded in light metal alloys at early stages of their growth.

Chemical Dynamics of nano-Aluminum and Iodine Based Oxidizers

NASA Astrophysics Data System (ADS)

Little, Brian; Ridge, Claron; Overdeep, Kyle; Slizewski, Dylan; Lindsay, Michael

2017-06-01

As observed in previous studies of nanoenergetic powder composites, micro/nano-structural features such as particle morphology and/or reactant spatial distance are expected to strongly influence properties that govern the combustion behavior of energetic materials (EM). In this study, highly reactive composites containing crystalline iodine (V) oxide or iodate salts with nano-sized aluminum (nAl) were blended by two different processing techniques and then collected as a powder for characterization. Physiochemical techniques such as thermal gravimetric analysis, calorimetry, X-ray diffraction, electron microscopy, high speed photography, pressure profile analysis, temperature programmed reactions, and spectroscopy were employed to characterize these EM with emphasis on correlating the chemical reactivity with inherent structural features and variations in stoichiometry. This work is a continuation of efforts to probe the chemical dynamics of nAl-iodine based composites.

Sagittal focusing of synchrotron radiation X-rays using a winged crystal

PubMed Central

Nisawa, A.; Yoneda, Y.; Ueno, G.; Murakami, H.; Okajima, Y.; Yamamoto, K.; Senba, Y.; Uesugi, K.; Tanaka, Y.; Yamamoto, M.; Goto, S.; Ishikawa, T.

2013-01-01

A Si(111) winged crystal has been designed to minimize anticlastic bending and improve sagittal focusing efficiency. The crystal was thin with wide stiffening wings. The length-to-width ratio of the crystal was optimized by finite element analysis, and the optimal value was larger than the ‘golden value’. The analysis showed that the slope error owing to anticlastic bending is less than the Darwin width. The X-rays were focused two-dimensionally using the crystal and a tangentially bent mirror. The observed profiles of the focal spot agreed well with the results of a ray-tracing calculation in the energy range from 8 to 17.5 keV. X-ray diffraction measurements with a high signal-to-noise ratio using this focusing system were demonstrated for a small protein crystal. PMID:23412477

Comments on the paper "Bragg's law diffraction simulations for electron backscatter diffraction analysis" by Josh Kacher, Colin Landon, Brent L. Adams & David Fullwood.

PubMed

Maurice, Claire; Fortunier, Roland; Driver, Julian; Day, Austin; Mingard, Ken; Meaden, Graham

2010-06-01

This comment on the paper "Bragg's Law diffraction simulations for electron backscatter diffraction analysis" by Kacher et al. explains the limitations in determining elastic strains using synthetic EBSD patterns. Of particular importance are those due to the accuracy of determination of the EBSD geometry projection parameters. Additional references and supporting information are provided. Copyright 2010 Elsevier B.V. All rights reserved.

Micrometer-scale particle sizing by laser diffraction: critical impact of the imaginary component of refractive index.

PubMed

Beekman, Alice; Shan, Daxian; Ali, Alana; Dai, Weiguo; Ward-Smith, Stephen; Goldenberg, Merrill

2005-04-01

This study evaluated the effect of the imaginary component of the refractive index on laser diffraction particle size data for pharmaceutical samples. Excipient particles 1-5 microm in diameter (irregular morphology) were measured by laser diffraction. Optical parameters were obtained and verified based on comparison of calculated vs. actual particle volume fraction. Inappropriate imaginary components of the refractive index can lead to inaccurate results, including false peaks in the size distribution. For laser diffraction measurements, obtaining appropriate or "effective" imaginary components of the refractive index was not always straightforward. When the recommended criteria such as the concentration match and the fit of the scattering data gave similar results for very different calculated size distributions, a supplemental technique, microscopy with image analysis, was used to decide between the alternatives. Use of effective optical parameters produced a good match between laser diffraction data and microscopy/image analysis data. The imaginary component of the refractive index can have a major impact on particle size results calculated from laser diffraction data. When performed properly, laser diffraction and microscopy with image analysis can yield comparable results.

Diffraction efficiency of plasmonic gratings fabricated by electron beam lithography using a silver halide film

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sudheer,, E-mail: sudheer@rrcat.gov.in, E-mail: sudheer.rrcat@gmail.com; Tiwari, P.; Srivastava, Himanshu

2016-07-28

The silver nanoparticle surface relief gratings of ∼10 μm period are fabricated using electron beam lithography on the silver halide film substrate. Morphological characterization of the gratings shows that the period, the shape, and the relief depth in the gratings are mainly dependent on the number of lines per frame, the spot size, and the accelerating voltage of electron beam raster in the SEM. Optical absorption of the silver nanoparticle gratings provides a broad localized surface plasmon resonance peak in the visible region, whereas the intensity of the peaks depends on the number density of silver nanoparticles in the gratings. Themore » maximum efficiency of ∼7.2% for first order diffraction is observed for the grating fabricated at 15 keV. The efficiency is peaking at 560 nm with ∼380 nm bandwidth. The measured profiles of the diffraction efficiency for the gratings are found in close agreement with the Raman-Nath diffraction theory. This technique provides a simple and efficient method for the fabrication of plasmonic nanoparticle grating structures with high diffraction efficiency having broad wavelength tuning.« less

Migration velocity analysis using residual diffraction moveout: a real-data example

NASA Astrophysics Data System (ADS)

Gonzalez, Jaime A. C.; de Figueiredo, José J. S.; Coimbra, Tiago A.; Schleicher, Jörg; Novais, Amélia

2016-08-01

Unfocused seismic diffraction events carry direct information about errors in the migration-velocity model. The residual-diffraction-moveout (RDM) migration-velocity-analysis (MVA) method is a recent technique that extracts this information by means of adjusting ellipses or hyperbolas to uncollapsed migrated diffractions. In this paper, we apply this method, which has been tested so far only on synthetic data, to a real data set from the Viking Graben. After application of a plane-wave-destruction (PWD) filter to attenuate the reflected energy, the diffractions in the real data become interpretable and can be used for the RDM method. Our analysis demonstrates that the reflections need not be completely removed for this purpose. Beyond the need to identify and select diffraction events in post-stack migrated sections in the depth domain, the method has a very low computational cost and processing time. To reach an acceptable velocity model of comparable quality as one obtained with common-midpoint (CMP) processing, only two iterations were necessary.

Polar POLICRYPS diffractive structures generate cylindrical vector beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alj, Domenico; Caputo, Roberto, E-mail: roberto.caputo@fis.unical.it; Umeton, Cesare

2015-11-16

Local shaping of the polarization state of a light beam is appealing for a number of applications. This can be achieved by employing devices containing birefringent materials. In this article, we present one such enables converting a uniformly circularly polarized beam into a cylindrical vector beam (CVB). This device has been fabricated by exploiting the POLICRYPS (POlymer-LIquid CRYstals-Polymer-Slices) photocuring technique. It is a liquid-crystal-based optical diffraction grating featuring polar symmetry of the director alignment. We have characterized the resulting CVB profile and polarization for the cases of left and right circularly polarized incoming beams.

Coherent diffraction imaging analysis of shape-controlled nanoparticles with focused hard X-ray free-electron laser pulses.

PubMed

Takahashi, Yukio; Suzuki, Akihiro; Zettsu, Nobuyuki; Oroguchi, Tomotaka; Takayama, Yuki; Sekiguchi, Yuki; Kobayashi, Amane; Yamamoto, Masaki; Nakasako, Masayoshi

2013-01-01

We report the first demonstration of the coherent diffraction imaging analysis of nanoparticles using focused hard X-ray free-electron laser pulses, allowing us to analyze the size distribution of particles as well as the electron density projection of individual particles. We measured 1000 single-shot coherent X-ray diffraction patterns of shape-controlled Ag nanocubes and Au/Ag nanoboxes and estimated the edge length from the speckle size of the coherent diffraction patterns. We then reconstructed the two-dimensional electron density projection with sub-10 nm resolution from selected coherent diffraction patterns. This method enables the simultaneous analysis of the size distribution of synthesized nanoparticles and the structures of particles at nanoscale resolution to address correlations between individual structures of components and the statistical properties in heterogeneous systems such as nanoparticles and cells.

Optical track width measurements below 100 nm using artificial neural networks

NASA Astrophysics Data System (ADS)

Smith, R. J.; See, C. W.; Somekh, M. G.; Yacoot, A.; Choi, E.

2005-12-01

This paper discusses the feasibility of using artificial neural networks (ANNs), together with a high precision scanning optical profiler, to measure very fine track widths that are considerably below the conventional diffraction limit of a conventional optical microscope. The ANN is trained using optical profiles obtained from tracks of known widths, the network is then assessed by applying it to test profiles. The optical profiler is an ultra-stable common path scanning interferometer, which provides extremely precise surface measurements. Preliminary results, obtained with a 0.3 NA objective lens and a laser wavelength of 633 nm, show that the system is capable of measuring a 50 nm track width, with a standard deviation less than 4 nm.

Non-stationary self-focusing of intense laser beam in plasma using ramp density profile

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habibi, M.; Ghamari, F.

2011-10-15

The non-stationary self-focusing of high intense laser beam in under-dense plasma with upward increasing density ramp is investigated. The obtained results show that slowly increasing plasma density ramp is very important in enhancing laser self-focusing. Also, the spot size oscillations of laser beam in front and rear of the pulse for two different density profiles are shown. We have selected density profiles that already were used by Sadighi-Bonabi et al.[Phys. Plasmas 16, 083105 (2009)]. Ramp density profile causes the laser beam to become more focused and penetrations deeps into the plasma by reduction of diffraction effects. Our computations show moremore » reliable results in comparison to the previous works.« less

Pulse generation and preamplification for long pulse beamlines of Orion laser facility.

PubMed

Hillier, David I; Winter, David N; Hopps, Nicholas W

2010-06-01

We describe the pulse generation, shaping, and preamplification system for the nanosecond beamlines of the Orion laser facility. The system generates shaped laser pulses of up to approximately 1 J of 100 ps-5 ns duration with a programmable temporal profile. The laser has a 30th-power supergaussian spatial profile and is diffraction limited. The system is capable of imposing 2D smoothing by spectral dispersion upon the beam, which will produce a nonuniformity of 10% rms at the target.

Imaging local electric fields produced upon synchrotron X-ray exposure

DOE PAGES

Dettmar, Christopher M.; Newman, Justin A.; Toth, Scott J.; ...

2014-12-31

Electron–hole separation following hard X-ray absorption during diffraction analysis of soft materials under cryogenic conditions produces substantial local electric fields visualizable by second harmonic generation (SHG) microscopy. Monte Carlo simulations of X-ray photoelectron trajectories suggest the formation of substantial local electric fields in the regions adjacent to those exposed to X-rays, indicating a possible electric-field–induced SHG (EFISH) mechanism for generating the observed signal. In studies of amorphous vitreous solvents, analysis of the SHG spatial profiles following X-ray microbeam exposure was consistent with an EFISH mechanism. Within protein crystals, exposure to 12-keV (1.033-Å) X-rays resulted in increased SHG in the regionmore » extending ~3 μm beyond the borders of the X-ray beam. Moderate X-ray exposures typical of those used for crystal centering by raster scanning through an X-ray beam were sufficient to produce static electric fields easily detectable by SHG. The X-ray–induced SHG activity was observed with no measurable loss for longer than 2 wk while maintained under cryogenic conditions, but disappeared if annealed to room temperature for a few seconds. In conclusion, these results provide direct experimental observables capable of validating simulations of X-ray–induced damage within soft materials. Additionally, X-ray–induced local fields may potentially impact diffraction resolution through localized piezoelectric distortions of the lattice.« less

Discrete diffraction managed solitons: Threshold phenomena and rapid decay for general nonlinearities

NASA Astrophysics Data System (ADS)

Choi, Mi-Ran; Hundertmark, Dirk; Lee, Young-Ran

2017-10-01

We prove a threshold phenomenon for the existence/non-existence of energy minimizing solitary solutions of the diffraction management equation for strictly positive and zero average diffraction. Our methods allow for a large class of nonlinearities; they are, for example, allowed to change sign, and the weakest possible condition, it only has to be locally integrable, on the local diffraction profile. The solutions are found as minimizers of a nonlinear and nonlocal variational problem which is translation invariant. There exists a critical threshold λcr such that minimizers for this variational problem exist if their power is bigger than λcr and no minimizers exist with power less than the critical threshold. We also give simple criteria for the finiteness and strict positivity of the critical threshold. Our proof of existence of minimizers is rather direct and avoids the use of Lions' concentration compactness argument. Furthermore, we give precise quantitative lower bounds on the exponential decay rate of the diffraction management solitons, which confirm the physical heuristic prediction for the asymptotic decay rate. Moreover, for ground state solutions, these bounds give a quantitative lower bound for the divergence of the exponential decay rate in the limit of vanishing average diffraction. For zero average diffraction, we prove quantitative bounds which show that the solitons decay much faster than exponentially. Our results considerably extend and strengthen the results of Hundertmark and Lee [J. Nonlinear Sci. 22, 1-38 (2012) and Commun. Math. Phys. 309(1), 1-21 (2012)].

Quantitative analysis of crystalline pharmaceuticals in tablets by pattern-fitting procedure using X-ray diffraction pattern.

PubMed

Takehira, Rieko; Momose, Yasunori; Yamamura, Shigeo

2010-10-15

A pattern-fitting procedure using an X-ray diffraction pattern was applied to the quantitative analysis of binary system of crystalline pharmaceuticals in tablets. Orthorhombic crystals of isoniazid (INH) and mannitol (MAN) were used for the analysis. Tablets were prepared under various compression pressures using a direct compression method with various compositions of INH and MAN. Assuming that X-ray diffraction pattern of INH-MAN system consists of diffraction intensities from respective crystals, observed diffraction intensities were fitted to analytic expression based on X-ray diffraction theory and separated into two intensities from INH and MAN crystals by a nonlinear least-squares procedure. After separation, the contents of INH were determined by using the optimized normalization constants for INH and MAN. The correction parameter including all the factors that are beyond experimental control was required for quantitative analysis without calibration curve. The pattern-fitting procedure made it possible to determine crystalline phases in the range of 10-90% (w/w) of the INH contents. Further, certain characteristics of the crystals in the tablets, such as the preferred orientation, size of crystallite, and lattice disorder were determined simultaneously. This method can be adopted to analyze compounds whose crystal structures are known. It is a potentially powerful tool for the quantitative phase analysis and characterization of crystals in tablets and powders using X-ray diffraction patterns. Copyright 2010 Elsevier B.V. All rights reserved.

High-performance axicon lenses based on high-contrast, multilayer gratings

NASA Astrophysics Data System (ADS)

Doshay, Sage; Sell, David; Yang, Jianji; Yang, Rui; Fan, Jonathan A.

2018-01-01

Axicon lenses are versatile optical elements that can convert Gaussian beams to Bessel-like beams. In this letter, we demonstrate that axicons operating with high efficiencies and at large angles can be produced using high-contrast, multilayer gratings made from silicon. Efficient beam deflection of incident monochromatic light is enabled by higher-order optical modes in the silicon structure. Compared to diffractive devices made from low-contrast materials such as silicon dioxide, our multilayer devices have a relatively low spatial profile, reducing shadowing effects and enabling high efficiencies at large deflection angles. In addition, the feature sizes of these structures are relatively large, making the fabrication of near-infrared devices accessible with conventional optical lithography. Experimental lenses with deflection angles as large as 40° display field profiles that agree well with theory. Our concept can be used to design optical elements that produce higher-order Bessel-like beams, and the combination of high-contrast materials with multilayer architectures will more generally enable new classes of diffractive photonic structures.

Large-area uniform periodic microstructures on fused silica induced by surface phonon polaritons and incident laser

NASA Astrophysics Data System (ADS)

Zhang, Chuanchao; Liao, Wei; Zhang, Lijuan; Jiang, Xiaolong; Chen, Jing; Wang, Haijun; Luan, Xiaoyu; Yuan, Xiaodong

2018-06-01

A simple and convenient means to self-organize large-area uniform periodic microstructures on fused silica by using multiple raster scans of microsecond CO2 laser pulses with beam spot overlapping at normal incidence is presented, which is based on laser-induced periodic surface structures (LIPSS) attributed to the interference between surface phonon polaritons and incident CO2 laser. The evolution of fused silica surface morphologies with increasing raster scans indicates that the period of microstructures changed from 10.6 μm to 9 μm and the profiles of microstructures changed from a sinusoidal curve to a half-sinusoidal shape. Numerical simulation results suggest that the formation of the half-sinusoidal profile is due to the exponential relationship between evaporation rate and surface temperature inducing by the intensive interference between surface phonon polaritons and incident laser. The fabricated uniform periodic microstructures show excellent structural color effect in both forward-diffraction and back-diffraction.

Calculation of effective penetration depth in X-ray diffraction for pharmaceutical solids.

PubMed

Liu, Jodi; Saw, Robert E; Kiang, Y-H

2010-09-01

The use of the glancing incidence X-ray diffraction configuration to depth profile surface phase transformations is of interest to pharmaceutical scientists. The Parratt equation has been used to depth profile phase changes in pharmaceutical compacts. However, it was derived to calculate 1/e penetration at glancing incident angles slightly below the critical angle of condensed matter and is, therefore, applicable to surface studies of materials such as single crystalline nanorods and metal thin films. When the depth of interest is 50-200 microm into the surface, which is typical for pharmaceutical solids, the 1/e penetration depth, or skin depth, can be directly calculated from an exponential absorption law without utilizing the Parratt equation. In this work, we developed a more relevant method to define X-ray penetration depth based on the signal detection limits of the X-ray diffractometer. Our definition of effective penetration depth was empirically verified using bilayer compacts of varying known thicknesses of mannitol and lactose.

Functionalized bimodal mesoporous silicas as carriers for controlled aspirin delivery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao Lin; Sun Jihong, E-mail: jhsun@bjut.edu.cn; Li Yuzhen

The bimodal mesoporous silica modified with 3-aminopropyltriethoxysilane was performed as the aspirin carrier. The samples' structure, drug loading and release profiles were characterized with X-ray diffraction, scanning electron microscopy, N{sub 2} adsorption and desorption, Fourier transform infrared spectroscopy, TG analysis, elemental analysis and UV-spectrophotometer. For further exploring the effects of the bimodal mesopores on the drug delivery behavior, the unimodal mesoporous material MCM-41 was also modified as the aspirin carrier. Meantime, Korsmeyer-Peppas equation f{sub t}=kt{sup n} was employed to analyze the dissolution data in details. It is indicated that the bimodal mesopores are beneficial for unrestricted drug molecules diffusing andmore » therefore lead to a higher loading and faster releasing than that of MCM-41. The results show that the aspirin delivery properties are influenced considerably by the mesoporous matrix, whereas the large pore of bimodal mesoporous silica is the key point for the improved controlled-release properties. - Graphical abstract: Loading (A) and release profiles (B) of aspirin in N-BMMs and N-MCM-41 indicated that BMMs have more drug loading capacity and faster release rate than that MCM-41. Highlights: > Bimodal mesoporous silicas (BMMs) and MCM-41 modified with amino group via post-treatment procedure. > Loading and release profiles of aspirin in modified BMMs and MCM-41. > Modified BMMs have more drug loading capacity and faster release rate than that modified MCM-41.« less

Chemical features of soils in a natural forest of West Hungary

NASA Astrophysics Data System (ADS)

Hofmann, Eszter; Bidló, András

2015-04-01

The present research focuses on the chemical results of soils formed on miocene carbonate rocks in a natural forest of West Hungary. Soil profiles derived from the Szárhalom Forest, located near the Lake Fertő, next to the city of Sopron. Six soil profiles were opened and analysed in this area. In the field the following physical parameters were evaluated from the soil profiles: transition, structure, compactness, roots, skeletal percent, colour, physical assortment, concretion and soil defect. Laboratory analysis involved the measurement of acidity, particle distribution, carbonated lime content, humus content, ammonium lactate-acetic acid soluble phosphorus- and potassium content, potassium chloride soluble calcium- and magnesium content, ethylene-diamine-tetraacetic-acid (EDTA) and diethylene-triamine-pentaacetic-acid (DTPA) soluble copper-, iron-, manganese- and zinc contents. These soils formed under a hornbeam-oak forest climate mainly and under a beech forest climate diffusely. The location and climate of the sites forms a basis of the comparison of the soils with similar base rock. The formation of the acidic and humus-rich upper layer of the soil profiles is influenced by the mineral composition and the weathering of the rocks. X-ray diffraction (Philips P W3710/PW1050 type X-ray diffractometer), thermoanalytical measurements (Mettler Toledo TGA/DSC 1 type thermogravimeter) and ICP-OES (Thermo Scientific iCAP 7000 Series) were also carried out to determine the mineral composition of the soils and the content of heavy metals. The soil samples were collected with both traditional and undisturbed (using the Kubiena box) sampling methods to enable further micromorphological investigations as well. The research is supported by the "Agroclimate-2" (VKSZ_12-1-2013-0034) joint EU-national research project. Key words: Natural forest, Miocene limestone, Mineral composition, Thermal analysis, Micromorphology

All-silicon nanorod-based Dammann gratings.

PubMed

Li, Zile; Zheng, Guoxing; He, Ping'An; Li, Song; Deng, Qiling; Zhao, Jiangnan; Ai, Yong

2015-09-15

Established diffractive optical elements (DOEs), such as Dammann gratings, whose phase profile is controlled by etching different depths into a transparent dielectric substrate, suffer from a contradiction between the complexity of fabrication procedures and the performance of such gratings. In this Letter, we combine the concept of geometric phase and phase modulation in depth, and prove by theoretical analysis and numerical simulation that nanorod arrays etched on a silicon substrate have a characteristic of strong polarization conversion between two circularly polarized states and can act as a highly efficient half-wave plate. More importantly, only by changing the orientation angles of each nanorod can the arrays control the phase of a circularly polarized light, cell by cell. With the above principle, we report the realization of nanorod-based Dammann gratings reaching diffraction efficiencies of 50%-52% in the C-band fiber telecommunications window (1530-1565 nm). In this design, uniform 4×4 spot arrays with an extending angle of 59°×59° can be obtained in the far field. Because of these advantages of the single-step fabrication procedure, accurate phase controlling, and strong polarization conversion, nanorod-based Dammann gratings could be utilized for various practical applications in a range of fields.

Investigation on surface layer characteristics of shot peened graphene reinforced Al composite by X-ray diffraction method

NASA Astrophysics Data System (ADS)

Zhan, Ke; Wu, Yihao; Li, Jiongli; Zhao, Bin; Yan, Ya; Xie, Lechun; Wang, Lianbo; Ji, V.

2018-03-01

Graphene reinforced Al composite with high mechanical property was successfully reported. However, there are quite limited studies about shot peening effect on this new type material. Here, 1.0 wt% graphene reinforced Al composite was produced by powder metallurgy and treated by shot peening. The surface layer characteristics of shot peened composite was investigated by X-ray diffraction line profile analysis. The microstructure including domain size, micro-strain, dislocation density and crystalline texture were analyzed. The results showed that after surface shot-peening, the domain size were refined, the dislocation density of the composite was increased sharply to 9.0 × 1011/cm2 at the top surface. The original strong texture was diminished after shot peening. Based on the calculated results, the microstructure variation of composite was more severe than that of Al without graphene reinforcement after shot peening. Besides, the micro-hardness of composite at the top surface increased up to 75HV one time higher than that of matrix. It is concluded that shot peening can be considered as an essential process of improving the surface properties of graphene reinforced Al composite.

Propranolol.

PubMed

Al-Majed, Abdulrahman A; Bakheit, Ahmed H H; Abdel Aziz, Hatem A; Alajmi, Fahad M; AlRabiah, Haitham

Propranolol is a noncardioselective β-blocker. It is reported to have membrane-stabilizing properties, but it does not own intrinsic sympathomimetic activity. Propranolol hydrochloride is used to control hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy. It is also used to control symptoms of sympathetic overactivity in the management of hyperthyroidism, anxiety disorders, and tremor. Other indications cover the prophylaxis of migraine and of upper gastrointestinal bleeding in patients with portal hypertension. This study provides a detailed, comprehensive profile of propranolol, including formulas, elemental analysis, and the appearance of the drug. In addition, the synthesis of the drug is described. The chapter covers the physicochemical properties, including X-ray powder diffraction, pK, solubility, melting point, and procedures of analysis (spectroscopic, electrochemical, and chromatographic). In-depth pharmacology is also presented (pharmacological actions, therapeutic dosing, uses, Interactions, and adverse effects and precautions). More than 60 references are given as a proof of the abovementioned studies. © 2017 Elsevier Inc. All rights reserved.

Preparation of CuIn{sub x}Ga{sub 1{minus}x}Se{sub 2} thin films on Si substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamamoto, Yukio; Yamaguchi, Toshiyuki; Suzuki, Masayoshi

For fabricating efficient tandem solar cells, CuIn{sub x}Ga{sub 1{minus}x}Se{sub 2} thin films have been prepared on Si(100), Si(110) and Si(111) substrates in the temperature range (R.T.{approximately}400 C) by rf sputtering. From EPMA analysis, these sputtered thin films are found to be nearly stoichiometric over the whole substrate temperature range, irrespective of the azimuth plane of the Si substrate. XPS studies showed that the compositional depth profile in these thin films is uniform. X-ray diffraction analysis indicated that all the thin films had a chalcopyrite structure. CuIn{sub x}Ga{sub 1{minus}x}Se{sub 2} thin films were strongly oriented along the (112) plane with increasingmore » the substrate temperature, independent of the azimuth plane of the Si substrate, suggesting the larger grain growth.« less

Functionalized bimodal mesoporous silicas as carriers for controlled aspirin delivery

NASA Astrophysics Data System (ADS)

Gao, Lin; Sun, Jihong; Li, Yuzhen

2011-08-01

The bimodal mesoporous silica modified with 3-aminopropyltriethoxysilane was performed as the aspirin carrier. The samples' structure, drug loading and release profiles were characterized with X-ray diffraction, scanning electron microscopy, N 2 adsorption and desorption, Fourier transform infrared spectroscopy, TG analysis, elemental analysis and UV-spectrophotometer. For further exploring the effects of the bimodal mesopores on the drug delivery behavior, the unimodal mesoporous material MCM-41 was also modified as the aspirin carrier. Meantime, Korsmeyer-Peppas equation ft= ktn was employed to analyze the dissolution data in details. It is indicated that the bimodal mesopores are beneficial for unrestricted drug molecules diffusing and therefore lead to a higher loading and faster releasing than that of MCM-41. The results show that the aspirin delivery properties are influenced considerably by the mesoporous matrix, whereas the large pore of bimodal mesoporous silica is the key point for the improved controlled-release properties.

Development, Characterization, and In Vitro Biological Performance of Fluconazole-Loaded Microemulsions for the Topical Treatment of Cutaneous Leishmaniasis

PubMed Central

Graminha, Márcia; Cerecetto, Hugo; González, Mercedes

2015-01-01

Cutaneous leishmaniasis (CL) is a resistant form of leishmaniasis that is caused by a parasite belonging to the genus Leishmania. FLU-loaded microemulsions (MEs) were developed by phase diagram for topical administration of fluconazole (FLU) as prominent alternative to combat CL. Three MEs called F1, F2, and F3 (F1—60% 50 M phosphate buffer at pH 7.4 (PB) as aqueous phase, 10% cholesterol (CHO) as oil phase, and 30% soy phosphatidylcholine/oil polyoxyl-60 hydrogenated castor oil/sodium oleate (3/8/6) (S) as surfactant; F2—50% PB, 10% CHO, and 40% S; F3—40% PB, 10% CHO, and 50 % S) were characterized by droplet size analysis, zeta potential analysis, X-ray diffraction, continuous flow, texture profile analysis, and in vitro bioadhesion. MEs presented pseudoplastic flow and thixotropy was dependent on surfactant concentration. Droplet size was not affected by FLU. FLU-loaded MEs improved the FLU safety profile that was evaluated using red cell haemolysis and in vitro cytotoxicity assays with J-774 mouse macrophages. FLU-unloaded MEs did not exhibit leishmanicidal activity that was performed using MTT colourimetric assays; however, FLU-loaded MEs exhibited activity. Therefore, these MEs have potential to modulate FLU action, being a promising platform for drug delivery systems to treat CL. PMID:25650054

Far-infrared image restoration analysis of the protostellar cluster in S140

NASA Technical Reports Server (NTRS)

Lester, D. F.; Harvey, P. M.; Joy, M.; Ellis, H. B., Jr.

1986-01-01

Image restoration techniques are applied to one-dimensional scans at 50 and 100 microns of the protostellar cluster in S140. These measurements resolve the surrounding nebula clearly, and Fourier methods are used to match the effective beam profiles at these wavelengths. This allows the radial distribution of temperature and dust column density to be derived at a diffraction limited spatial resolution of 23 arcsec (0.1 pc). Evidence for heating of the S140 molecular cloud by a nearby ionization front is established, and the dissociation of molecules inside the ionization front is spatially well correlated with the heating of the dust. The far-infrared spectral distribution of the three near-infrared sources within 10 arcsesc of the cluster center is presented.

Quantitative assessment of image motion blur in diffraction images of moving biological cells

NASA Astrophysics Data System (ADS)

Wang, He; Jin, Changrong; Feng, Yuanming; Qi, Dandan; Sa, Yu; Hu, Xin-Hua

2016-02-01

Motion blur (MB) presents a significant challenge for obtaining high-contrast image data from biological cells with a polarization diffraction imaging flow cytometry (p-DIFC) method. A new p-DIFC experimental system has been developed to evaluate the MB and its effect on image analysis using a time-delay-integration (TDI) CCD camera. Diffraction images of MCF-7 and K562 cells have been acquired with different speed-mismatch ratios and compared to characterize MB quantitatively. Frequency analysis of the diffraction images shows that the degree of MB can be quantified by bandwidth variations of the diffraction images along the motion direction. The analytical results were confirmed by the p-DIFC image data acquired at different speed-mismatch ratios and used to validate a method of numerical simulation of MB on blur-free diffraction images, which provides a useful tool to examine the blurring effect on diffraction images acquired from the same cell. These results provide insights on the dependence of diffraction image on MB and allow significant improvement on rapid biological cell assay with the p-DIFC method.

Low-resolution structure of Drosophila translin

PubMed Central

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

A controlled release of ibuprofen by systematically tailoring the morphology of mesoporous silica materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qu Fengyu; Chemistry and Pharmaceutical College, Jiamusi University, Jiamusi 154007; Zhu Guangshan

2006-07-15

A series of mesoporous silica materials with similar pore sizes, different morphologies and variable pore geometries were prepared systematically. In order to control drug release, ibuprofen was employed as a model drug and the influence of morphology and pore geometry of mesoporous silica on drug release profiles was extensively studied. The mesoporous silica and drug-loaded samples were characterized by X-ray diffraction, Fourier transform IR spectroscopy, N{sub 2} adsorption and desorption, scanning electron microscopy, and transmission electron microscopy. It was found that the drug-loading amount was directly correlated to the Brunauer-Emmett-Teller surface area, pore geometry, and pore volume; while the drugmore » release profiles could be controlled by tailoring the morphologies of mesoporous silica carriers. - Graphical abstract: The release of ibuprofen is controlled by tailoring the morphologies of mesoporous silica. The mesoporous silica and drug-loaded samples are characterized by powder X-ray diffraction, Fourier transform IR spectroscopy, N{sub 2} adsorption and desorption, scanning electron microscopy, and transmission electron microscopy. The drug-loading amount is directly correlated to the Brunauer-Emmett-Teller surface area, pore geometry, and pore volume; while the drug release profiles can be controlled by tailoring the morphologies of mesoporous silica carriers.« less

In-Situ Neutron Diffraction Studies of Micromechanical Behavior in a Friction Stir Welded AA7475-T761

NASA Astrophysics Data System (ADS)

Liu, X. P.; Lin Peng, R.; Hofmann, M.; Johansson, S.; Wang, Y. D.

2011-01-01

An in-situ neutron diffraction technique was used to investigate the lattice strain distributions and micromechanical behavior in a friction stir welded (FSW) sheet of AA7475-T761. The neutron diffraction experiments were performed on the spectrometer for material research, STRESS-SPEC, at FRM II (Garching, Germany). The lattice strain profiles around the weld center were measured as a function of the applied strain during the tensile loading and unloading. The anisotropic elastic and plastic properties of the FSW aluminum alloy were simulated by elasto-plastic self-consistent (EPSC) model to predict the anisotropic deformation behaviors involving the grain-to-grain interactions. Material parameters used for describing the constitutive laws of each test position were determined from the measured lattice strain distributions for different diffraction hkl planes as well as the macroscopic stress-strain curve of the FSW aluminum alloy. A good agreement between experimental results and numerical simulations was obtained. The present investigations provided a reliable prediction of the anisotropic micromechanical behavior of the FSW aluminum alloy during tensile deformation.

Computer-generated holograms and diffraction gratings in optical security applications

NASA Astrophysics Data System (ADS)

Stepien, Pawel J.

2000-04-01

The term 'computer generated hologram' (CGH) describes a diffractive structure strictly calculated and recorded to diffract light in a desired way. The CGH surface profile is a result of the wavefront calculation rather than of interference. CGHs are able to form 2D and 3D images. Optically, variable devices (OVDs) composed of diffractive gratings are often used in security applications. There are various types of optically and digitally recorded gratings in security applications. Grating based OVDs are used to record bright 2D images with limited range of cinematic effects. These effects result form various orientations or densities of recorded gratings. It is difficult to record high quality OVDs of 3D objects using gratings. Stereo grams and analogue rainbow holograms offer 3D imaging, but they are darker and have lower resolution than grating OVDs. CGH based OVDs contains unlimited range of cinematic effects and high quality 3D images. Images recorded using CGHs are usually more noisy than grating based OVDs, because of numerical inaccuracies in CGH calculation and mastering. CGH based OVDs enable smooth integration of hidden and machine- readable features within an OVD design.

Numerical and neutron diffraction measurement of residual stress distribution in dissimilar weld

DOE PAGES

Eisazadeh, Hamid; Bunn, Jeffrey R.; Aidun, Daryush K.

2017-01-01

In this study, a model considering an asymmetric power heat distribution, temperature-dependent material properties, strain hardening and phase transformation was developed to predict temperature field and residual stress distribution in GTA dissimilar weld between austenitic stainless steel (304) and low carbon steel (1018). The effect of martensite formation on longitudinal and transverse residual stress distributions were investigated using both FE model and neutron diffraction measurement. The results indicate that martensitic phase has a significant influence on both residual stress components, i.e., transverse and longitudinal, and it not only can change the distribution shape of residual stress near the weld centermore » line but, also, can alter the peak value of the residual stresses. The calculated temperature and weld zone profile were in agreement with the experimental results. Favorable general agreement was also found between the calculated residual stress distribution and residual stress measurements by the neutron diffraction method.« less

Numerical and neutron diffraction measurement of residual stress distribution in dissimilar weld

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eisazadeh, Hamid; Bunn, Jeffrey R.; Aidun, Daryush K.

In this study, a model considering an asymmetric power heat distribution, temperature-dependent material properties, strain hardening and phase transformation was developed to predict temperature field and residual stress distribution in GTA dissimilar weld between austenitic stainless steel (304) and low carbon steel (1018). The effect of martensite formation on longitudinal and transverse residual stress distributions were investigated using both FE model and neutron diffraction measurement. The results indicate that martensitic phase has a significant influence on both residual stress components, i.e., transverse and longitudinal, and it not only can change the distribution shape of residual stress near the weld centermore » line but, also, can alter the peak value of the residual stresses. The calculated temperature and weld zone profile were in agreement with the experimental results. Favorable general agreement was also found between the calculated residual stress distribution and residual stress measurements by the neutron diffraction method.« less

High diffraction efficiency of three-layer diffractive optics designed for wide temperature range and large incident angle.

PubMed

Mao, Shan; Cui, Qingfeng; Piao, Mingxu; Zhao, Lidong

2016-05-01

A mathematical model of diffraction efficiency and polychromatic integral diffraction efficiency affected by environment temperature change and incident angle for three-layer diffractive optics with different dispersion materials is put forward, and its effects are analyzed. Taking optical materials N-FK5 and N-SF1 as the substrates of multilayer diffractive optics, the effect on diffraction efficiency and polychromatic integral diffraction efficiency with intermediate materials POLYCARB is analyzed with environment temperature change as well as incident angle. Therefore, three-layer diffractive optics can be applied in more wide environmental temperature ranges and larger incident angles for refractive-diffractive hybrid optical systems, which can obtain better image quality. Analysis results can be used to guide the hybrid imaging optical system design for optical engineers.

Comparative evaluation of humic substances in oral drug delivery.

PubMed

Mirza, Mohd Aamir; Ahmad, Niyaz; Agarwal, Suraj Prakash; Mahmood, Danish; Khalid Anwer, M; Iqbal, Z

2011-05-01

Major and biologically most explored components of natural organic matter (NOM) are humic acid (HA) and fulvic acid (FA). We have explored rock shilajit as a source of NOM. On the other hand carbamazepine (CBZ) is a well known anticonvulsant drug and has a limited accessibility to brain. Bioavailability and pharmacokinetic profiles of CBZ have been improved by complexation and different techniques also. Present study has assessed the comparative abilities of FA and HA as complexing agent for CBZ in order to enhance pharmacokinetic profile of CBZ and accessibility to the brain. These two complexing agents have been compared on various indices such as their abilities to cause complexation and enhance solubility, permeability and dissolution. The present study also compared pharmacodynamic and biochemical profiles after oral administration of complexes. With the help of various pharmaceutical techniques such as freeze drying, physical mixture, kneading and solvent evaporation, two molar ratios (1:1 and 1:2) were selected for complexation and evaluated for conformational analysis (molecular modeling). Complex formed was further characterized by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), mass spectroscopy and X-ray diffraction (XRD). Preclinical study on rodents with CBZ-HA and CBZ-FA has yielded appreciable results in terms of their anticonvulsant and antioxidants activities. However, CBZ-HA (1:2) demonstrated better result than any other complex.

A Combined FEM/MoM/GTD Technique To Analyze Elliptically Polarized Cavity-Backed Antennas With Finite Ground Plane

NASA Technical Reports Server (NTRS)

Reddy, C. J.; Deshpande, M. D.; Fralick, D. T.; Cockrell, C. R.; Beck, F. B.

1996-01-01

Radiation pattern prediction analysis of elliptically polarized cavity-backed aperture antennas in a finite ground plane is performed using a combined Finite Element Method/Method of Moments/Geometrical Theory of Diffraction (FEM/MoM/GTD) technique. The magnetic current on the cavity-backed aperture in an infinite ground plane is calculated using the combined FEM/MoM analysis. GTD, including the slope diffraction contribution, is used to calculate the diffracted fields caused by both soft and hard polarizations at the edges of the finite ground plane. Explicit expressions for regular diffraction coefficients and slope diffraction coefficients are presented. The slope of the incident magnetic field at the diffraction points is derived and analytical expressions are presented. Numerical results for the radiation patterns of a cavity-backed circular spiral microstrip patch antenna excited by a coaxial probe in a finite rectangular ground plane are computed and compared with experimental results.

Dynamical effects in Bragg coherent x-ray diffraction imaging of finite crystals

NASA Astrophysics Data System (ADS)

Shabalin, A. G.; Yefanov, O. M.; Nosik, V. L.; Bushuev, V. A.; Vartanyants, I. A.

2017-08-01

We present simulations of Bragg coherent x-ray diffractive imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on a numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range of x-ray diffraction experiments with finite three-dimensional crystals of arbitrary shape also in the presence of strain. We performed simulations for nanocrystals of a cubic and hemispherical shape of different sizes and provided a detailed analysis of artifacts in the Bragg CXDI reconstructions introduced by the dynamical diffraction. Based on our theoretical analysis we developed an analytical procedure to treat effects of refraction and absorption in the reconstruction. Our results elucidate limitations for the kinematical approach in the Bragg CXDI and suggest a natural criterion to distinguish between kinematical and dynamical cases in coherent x-ray diffraction on a finite crystal.

Curved focusing crystals for hard X-ray astronomy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferrari, C., E-mail: ferrari@imem.cnr.it; Buffagni, E.; Bonnini, E.

A lens made by a properly arranged array of crystals can be used to focus x-rays of energy ranging from 30 to 500 keV for x-ray astronomy. Mosaic or curved crystals can be employed as x-ray optical elements. In this work self standing curved focusing Si and GaAs crystals in which the lattice bending is induced by a controlled damaging process on one side of planar crystals are characterized. Diffraction profiles in Laue geometry have been measured in crystals at x-ray energies E = 17, 59 and 120 keV. An enhancement of diffraction efficiency is found in asymmetric geometries.

Design and fabrication of a diffractive beam splitter for dual-wavelength and concurrent irradiation of process points.

PubMed

Amako, Jun; Shinozaki, Yu

2016-07-11

We report on a dual-wavelength diffractive beam splitter designed for use in parallel laser processing. This novel optical element generates two beam arrays of different wavelengths and allows their overlap at the process points on a workpiece. To design the deep surface-relief profile of a splitter using a simulated annealing algorithm, we introduce a heuristic but practical scheme to determine the maximum depth and the number of quantization levels. The designed corrugations were fabricated in a photoresist by maskless grayscale exposure using a high-resolution spatial light modulator. We characterized the photoresist splitter, thereby validating the proposed beam-splitting concept.

On-the-fly segmentation approaches for x-ray diffraction datasets for metallic glasses

DOE PAGES

Ren, Fang; Williams, Travis; Hattrick-Simpers, Jason; ...

2017-08-30

Investment in brighter sources and larger detectors has resulted in an explosive rise in the data collected at synchrotron facilities. Currently, human experts extract scientific information from these data, but they cannot keep pace with the rate of data collection. Here, we present three on-the-fly approaches—attribute extraction, nearest-neighbor distance, and cluster analysis—to quickly segment x-ray diffraction (XRD) data into groups with similar XRD profiles. An expert can then analyze representative spectra from each group in detail with much reduced time, but without loss of scientific insights. As a result, on-the-fly segmentation would, therefore, result in accelerated scientific productivity.

Clifford G. Shull, Neutron Diffraction, Hydrogen Atoms, and Neutron

Science.gov Websites

Analysis of NaH and NaD, DOE Technical Report, April 1947 The Diffraction of Neutrons by Crystalline Powders; DOE Technical Report; 1948 Neutron Diffraction Studies, DOE Technical Report, 1948 Laue Structure of Thorium and Zirconium Dihydrides by X-ray and Neutron Diffraction, DOE Technical Report, April

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

NASA Astrophysics Data System (ADS)

Vrkoslavová, Lucie; Louda, Petr; Malec, Jiři

2014-02-01

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

Advancements in non-contact metrology of asphere and diffractive optics

NASA Astrophysics Data System (ADS)

DeFisher, Scott

2017-11-01

Advancements in optical manufacturing technology allow optical designers to implement steep aspheric or high departure surfaces into their systems. Measuring these surfaces with profilometers or CMMs can be difficult due to large surface slopes or sharp steps in the surface. OptiPro has developed UltraSurf to qualify the form and figure of steep aspheric and diffractive optics. UltraSurf is a computer controlled, non-contact coordinate measuring machine. It incorporates five air-bearing axes, linear motors, high-resolution feedback, and a non-contact probe. The measuring probe is scanned over the optical surface while maintaining perpendicularity and a constant focal offset. Multiple probe technologies are available on UltraSurf. Each probe has strengths and weaknesses relative to the material properties, surface finish, and figure error of an optical component. The measuring probes utilize absolute distance to resolve step heights and diffractive surface patterns. The non-contact scanning method avoids common pitfalls with stylus contact instruments. Advancements in measuring speed and precision has enabled fast and accurate non-contact metrology of diffractive and steep aspheric surfaces. The benefits of data sampling with twodimensional profiles and three-dimensional topography maps will be presented. In addition, accuracy, repeatability, and machine qualification will be discussed with regards to aspheres and diffractive surfaces.

Investigation of the nanoscale two-component ZnS-ZnO heterostructures by means of HR-TEM and X-ray based analysis

NASA Astrophysics Data System (ADS)

Pankin, I. A.; Polozhentsev, O. E.; Soldatov, M. A.; Bugaev, A. L.; Tsaturyan, A.; Lomachenko, K. A.; Guda, A. A.; Budnyk, A. P.; Lamberti, C.; Soldatov, A. V.

2018-06-01

This article is devoted to the spectroscopic characterization of ZnS-ZnO nanoscale heterostructures synthesized by the microwave-assisted solvothermal method. The synthesized samples were investigated by means of X-ray powder diffraction (XRPD), high energy resolution fluorescence detected X-ray absorption near-edge-structure (HERFD-XANES) spectroscopy, valence-to-core X-ray emission spectroscopy (VtC-XES) and high resolution transmission electron microscopy (HR-TEM) as well as energy dispersive X-ray spectroscopy (EDX). The average crystallite size estimated by the broadening of XRPD peaks increases from 2.7 nm to 3.7 nm in the temperature range from 100 °C to 150 °C. HR-TEM images show that nanoparticles are arranged in aggregates with the 60-200 nm size. Theoretical estimation shows that the systems synthesized at higher temperatures more prone to the agglomeration. The full profile Reitveld analysis of XRPD data reveals the formation of hexagonal zinc sulfide structure, whereas electron diffraction data reveal also the formation of cubic zinc sulfide and claim the polymorphous character of the system. High energy resolution Zn K-edge XANES data unambiguously demonstrate the presence of a certain amount of the zinc oxide which is likely to have an amorphous structure and could not be detected by XRPD. Qualitative analysis of XANES data allows deriving ZnS/ZnO ratio as a function of synthesis temperature. EDX analysis depicts homogeneous distribution of ZnS and amorphous ZnO phases across the conglomerates. A complementary element-selective valence to core X-ray emission spectroscopy evidences formation of two-component system and confirms estimations of ZnS/ZnO fractions obtained by linear combination fit of XANES data.

Semblance analysis to assess GPR data from a five-year forensic study of simulated clandestine graves

NASA Astrophysics Data System (ADS)

Booth, Adam D.; Pringle, Jamie K.

2016-02-01

Ground penetrating radar (GPR) surveys have proven useful for locating clandestine graves in a number of forensic searches. There has been extensive research into the geophysical monitoring of simulated clandestine graves in different burial scenarios and ground conditions. Whilst these studies have been used to suggest optimum dominant radar frequencies, the data themselves have not been quantitatively analysed to-date. This study uses a common-offset configuration of semblance analysis, both to characterise velocity trends from GPR diffraction hyperbolae and, since the magnitude of a semblance response is proportional to signal-to-noise ratio, to quantify the strength of a forensic GPR response. 2D GPR profiles were acquired over a simulated clandestine burial, with a wrapped-pig cadaver monitored at three-month intervals between 2008 and 2013 with GPR antennas of three different centre-frequencies (110, 225 and 450 MHz). The GPR response to the cadaver was a strong diffraction hyperbola. Results show, in contrast to resistivity surveys, that semblance analysis have little sensitivity to changes attributable to decomposition, and only a subtle influence from seasonality: velocity increases (0.01-0.02 m/ns) were observed in summer, associated with a decrease (5-10%) in peak semblance magnitude, SM, and potentially in the reflectivity of the cadaver. The lowest-frequency antennas consistently gave the highest signal-to-noise ratio although the grave was nonetheless detectable by all frequencies trialled. These observations suggest that forensic GPR surveys could be undertaken with little seasonal hindrance. Whilst GPR analysis cannot currently provide a quantitative diagnostic proxy for time-since-burial, the consistency of responses suggests that graves will remain detectable beyond the five years shown here.

Analysis of Short and Long Range Atomic Order in Nanocrystalline Diamonds with Application of Powder Diffractometry

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Neuefiend, J.; Weber, H.-P.; Proffen, T.; VonDreele, R.; Palosz, W.;

The in vitro antibiotic release from anti-washout apatite cement using chitosan.

PubMed

Takechi, Masaaki; Miyamoto, Youji; Momota, Yukihiro; Yuasa, Tetsuya; Tatehara, Seikou; Nagayama, Masaru; Ishikawa, Kunio; Suzuki, Kazuomi

2002-10-01

The in vitro antibiotic release from anti-washout apatite cement using chitosan (aw-AC(chi)) was investigated in a preliminary evaluation. Flomoxef sodium was employed as the antibiotic and was incorporated into the powder phase aw-AC(chi) at up to 10%. The setting times were measured for aw-AC(chi) containing various amounts of flomoxef sodium. X-ray diffraction (XRD) analysis was also conducted for the identification of products. To evaluate the drug release profile, set aw-AC was immersed in saline and the released flomoxef sodium was determined at regular intervals. The setting time was prolonged slightly with the addition of flomoxef sodium. The difference at 10% flomoxef sodium (0% vs. 10%) was not significant (p>0.05), and can be negligible in clinic. The XRD analysis revealed that formation of hydroxyapatite (HAP) from aw-AC(chi) was reduced, even after 24 h, when the aw-AC(chi) contained flomoxef sodium at 8% or more. The flomoxef sodium release from aw-AC(chi) showed the typical profile observed in skeleton type drug delivery system (DDS). Changing the concentration of chitosan can control the rate of drug release from aw-AC. Therefore, we conclude that aw-AC(chi) is a good candidate for potential use as a DDS carrier that may be useful in surgical operations.

Depth profile of a time-reversal focus in an elastic solid

DOE PAGES

Remillieux, Marcel C.; Anderson, Brian E.; Ulrich, T. J.; ...

2015-04-01

The out-of-plane velocity component is focused on the flat surface of an isotropic solid sample using the principle of time reversal. This experiment is often reproduced in the context of nondestructive testing for imaging features near the surface of the sample. However, it is not clear how deep the focus extends into the bulk of the sample and what its profile is. In this paper, this question is answered using both numerical simulations and experimental data. The profiles of the foci are expressed in terms of the wavelengths of the dominant waves, based on the interpretation of the Lamb’s problemmore » and the use of the diffraction limit.« less

Diffraction as a Method of Critical Policy Analysis

ERIC Educational Resources Information Center

Ulmer, Jasmine B.

2016-01-01

Recent developments in critical policy analysis have occurred alongside the new materialisms in qualitative research. These lines of scholarship have unfolded along two separate, but related, tracks. In particular, the new materialist method of "diffraction" aligns with many elements of critical policy analysis. Both involve critical…

Mechanistic study of the rubber-brass adhesion interphase

NASA Astrophysics Data System (ADS)

Ashirgade, Akshay

Brass-plated steel tire cords form an essential strengthening component of a radial automobile tire. Adhesion between rubber compound and brass-plated steel tire cord is crucial in governing the overall performance of tires. The rubber-brass interfacial adhesion is influenced by the chemical composition and thickness of the interfacial layer. It has been shown that the interfacial layer consists mainly of sulfides and oxides of copper and zinc. This thesis discusses the effect of changes in the chemical composition and the structure of the interfacial layers due to addition of adhesion promoter resins. Grazing incidence X-Ray Diffraction (GIXRD) experiments were run on sulfidized polished brass coupons previously bonded to six experimental rubber compounds. It was confirmed that heat and humidity conditions lead to physical and chemical changes of the rubber-steel tire cord interfacial layer, closely related to the degree of rubber-brass adhesion. Morphological transformation of the interfacial layer led to loss of adhesion after aging. The adhesion promoter resins inhibit unfavorable morphological changes in the interfacial layer thus stabilizing it during aging and prolonging failure. Tire cord adhesion tests illustrated that the one-component resins improved adhesion after aging using a rubber compound with lower cobalt loading. Based on the acquired diffraction profiles, these resins were also found to impede crystallization of the sulfide layer after aging leading to improved adhesion. Secondary Ion Mass Spectrometry (SIMS) depth profiles, SEM micrographs and AFM images strongly corroborated the findings from GIXRD. FTIR was utilized in a novel way to understand the degradation mechanism due to aging. A model for rubber and interfacial layer degradation is proposed to illustrate the effect of aging and the one-component resins. This interfacial analysis adds valuable new information to our understanding of the complex nature of the rubber-brass bonding mechanism.

Seismic multiple attenuation in the northern continent-ocean transition zone of the South China Sea

NASA Astrophysics Data System (ADS)

Chen, N.; Li, C. F.

2017-12-01

In seismic exploration, especially in marine oil and gas exploration, presence of multiple reflections lowers signal-to-noise ratio of seismic data and makes it difficult to analyze seismic velocity. In northern continent-ocean transition zone of the South China Sea (SCS), low-velocity Cenozoic strata cover sets of high-velocity carbonate strata directly, and over 1000 m thick of sediments were deposited on the igneous basement in the northwest SCS. These sedimentary boundaries generate quite strong impedance interfaces and strong internal multiples. Diffractions as a result of variation of seabed topography, coupled with the vibration, free surface multiples and refraction multiples, cause a variety of strong energy disturbances and missing of frequency component. In this study, we process four recently acquired multichannel reflection seismic profiles from the northern continent-ocean transition zone of the SCS with a new combination of demultiple techniques. There is a variety of strong multiples in the raw data, and the seabed multiple occurs between 9 to 11 seconds in two-way travel time (TWTT), and we apply Surface-related Multiple Elimination (SRME) to attenuate the free surface multiples. After SRME, we use high-resolution Radon transform (RAMUR) to attenuate deep multiples concentrating below 10 seconds in TWTT. Normal moveout correction (NMO) is necessary to flatten true reflections and turn multiples into a parabola before RAMUR, and we can attenuate the deep multiples in theτ-p domain. The seabed topography varies greatly in the continent-ocean transition zone, so the diffractions are well developed. However, SRME and RAMUR are not effective in attenuating diffractions and internal multiples. We select diffracted multiple attenuation (DIMAT) after many trials and detailed analysis. The diffractions are extracted in decomposed frequency bands. The internal multiples below 11 seconds in TWTT and high-amplitude noises are successfully suppressed while keeping the primary events. This combination of SRME, RAMUR and DIMAT in sequence demonstrates to be quite effective in attenuating these types of multiples on the continent-ocean transition zone. Keywords: Continent-ocean transition zone, seismic exploration, data processing, multiple attenuation

Single-Slit Diffraction and the Uncertainty Principle

ERIC Educational Resources Information Center

Rioux, Frank

2005-01-01

A theoretical analysis of single-slit diffraction based on the Fourier transform between coordinate and momentum space is presented. The transform between position and momentum is used to illuminate the intimate relationship between single-slit diffraction and uncertainty principle.

Dispersion-compensated fresnel lens

DOEpatents

Johnson, Kenneth C.

1992-01-01

A transmission grating is used to reduce chromatic aberration in a Fresnel lens, wherein the lens chromatic dispersion is offset and substantially canceled by the grating's diffraction-induced dispersion. The grating comprises a Fresnel-type pattern of microscopic facets molded directly into the lens surface. The facets would typically have a profile height of around 4.multidot.10.sup.-5 inch and a profile width of at least 10.sup.-3 inch. In its primary intended application, the invention would function to improve the optical performance of a Fresnel lens used to concentrate direct sunlight.

Dispersion-compensated Fresnel lens

DOEpatents

Johnson, K.C.

1992-11-03

A transmission grating is used to reduce chromatic aberration in a Fresnel lens, wherein the lens chromatic dispersion is offset and substantially canceled by the grating's diffraction-induced dispersion. The grating comprises a Fresnel-type pattern of microscopic facets molded directly into the lens surface. The facets would typically have a profile height of around 4[times]10[sup [minus]5] inch and a profile width of at least 10[sup [minus]3] inch. In its primary intended application, the invention would function to improve the optical performance of a Fresnel lens used to concentrate direct sunlight. 10 figs.

Digital image profilers for detecting faint sources which have bright companions

NASA Technical Reports Server (NTRS)

Morris, Elena; Flint, Graham; Slavey, Robert

1992-01-01

For this program, an image profiling system was developed which offers the potential for detecting extremely faint optical sources that are located in close proximity to bright companions. The approach employed is novel in three respects. First, it does not require an optical system wherein extraordinary measures must be taken to minimize diffraction and scatter. Second, it does not require detectors possessing either extreme uniformity in sensitivity or extreme temporal stability. Finally, the system can readily be calibrated, or nulled, in space by testing against an unresolved singular stellar source.

Ciprofloxacin HCl-loaded calcium carbonate nanoparticles: preparation, solid state characterization, and evaluation of antimicrobial effect against Staphylococcus aureus.

PubMed

Maleki Dizaj, Solmaz; Lotfipour, Farzaneh; Barzegar-Jalali, Mohammad; Zarrintan, Mohammad-Hossein; Adibkia, Khosro

2017-05-01

Ciprofloxacin HCl-loaded calcium carbonate (CaCO 3 ) nanoparticles were prepared via a w/o microemulsion method and characterized by dynamic light scattering, scanning electron microscopy, X-ray powder diffraction (XRPD) analysis, differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR). The in vitro drug release profiles as well as antimicrobial effect against Staphylococcus aureus (S. aureus) were also evaluated. The antibacterial effect was studied using serial dilution technique to determine the minimum inhibitory concentration (MIC) of the nanoparticles and was confirmed by streak cultures. The mean particle size, drug loading and entrapment efficiency were calculated to be 116.09 nm, 20.49% and 44.05%, respectively. PXRD and FTIR studies confirmed that both vaterite and calcite polymorphs of CaCO 3 were formed during the preparation process. In vitro release profiles of the nanoparticles showed slow release pattern for 12 h. The drug-loaded nanoparticles showed similar MICs against S. aureus compared to untreated drug. However, a preserved antimicrobial effect was observed for drug-loaded nanoparticles compared to untreated drug after 2 days of incubation.

Characterization of Antibiotic-Loaded Alginate-Osa Starch Microbeads Produced by Ionotropic Pregelation

PubMed Central

Fontes, Gizele Cardoso; Calado, Verônica Maria Araújo; Rossi, Alexandre Malta; da Rocha-Leão, Maria Helena Miguez

2013-01-01

The aim of this study was to characterize the penicillin-loaded microbeads composed of alginate and octenyl succinic anhydride (OSA) starch prepared by ionotropic pregelation with calcium chloride and to evaluate their in vitro drug delivery profile. The beads were characterized by size, scanning electron microscopy (SEM), zeta potential, swelling behavior, and degree of erosion. Also, the possible interaction between penicillin and biopolymers was investigated by differential scanning calorimetry (DSC), powder X-ray diffraction (XRD), and Fourier transform infrared (FTIR) analysis. The SEM micrograph results indicated a homogeneous drug distribution in the matrix. Also, based on thermal analyses (TGA/DSC), interactions were detected between microbead components. Although FTIR spectra of penicillin-loaded microbeads did not reveal the formation of new chemical entities, they confirmed the chemical drug stability. XRD patterns showed that the incorporated crystalline structure of penicillin did not significantly alter the primarily amorphous polymeric network. In addition, the results confirmed a prolonged penicillin delivery system profile. These results imply that alginate and OSA starch beads can be used as a suitable controlled-release carrier for penicillin. PMID:23862146

Feasibility of detecting near-surface feature with Rayleigh-wave diffraction

USGS Publications Warehouse

Xia, J.; Nyquist, Jonathan E.; Xu, Y.; Roth, M.J.S.; Miller, R.D.

2007-01-01

Detection of near-surfaces features such as voids and faults is challenging due to the complexity of near-surface materials and the limited resolution of geophysical methods. Although multichannel, high-frequency, surface-wave techniques can provide reliable shear (S)-wave velocities in different geological settings, they are not suitable for detecting voids directly based on anomalies of the S-wave velocity because of limitations on the resolution of S-wave velocity profiles inverted from surface-wave phase velocities. Therefore, we studied the feasibility of directly detecting near-surfaces features with surface-wave diffractions. Based on the properties of surface waves, we have derived a Rayleigh-wave diffraction traveltime equation. We also have solved the equation for the depth to the top of a void and an average velocity of Rayleigh waves. Using these equations, the depth to the top of a void/fault can be determined based on traveltime data from a diffraction curve. In practice, only two diffraction times are necessary to define the depth to the top of a void/fault and the average Rayleigh-wave velocity that generates the diffraction curve. We used four two-dimensional square voids to demonstrate the feasibility of detecting a void with Rayleigh-wave diffractions: a 2??m by 2??m with a depth to the top of the void of 2??m, 4??m by 4??m with a depth to the top of the void of 7??m, and 6??m by 6??m with depths to the top of the void 12??m and 17??m. We also modeled surface waves due to a vertical fault. Rayleigh-wave diffractions were recognizable for all these models after FK filtering was applied to the synthetic data. The Rayleigh-wave diffraction traveltime equation was verified by the modeled data. Modeling results suggested that FK filtering is critical to enhance diffracted surface waves. A real-world example is presented to show how to utilize the derived equation of surface-wave diffractions. ?? 2006 Elsevier B.V. All rights reserved.

Computer modeling of electromagnetic problems using the geometrical theory of diffraction

NASA Technical Reports Server (NTRS)

Burnside, W. D.

1976-01-01

Some applications of the geometrical theory of diffraction (GTD), a high frequency ray optical solution to electromagnetic problems, are presented. GTD extends geometric optics, which does not take into account the diffractions occurring at edges, vertices, and various other discontinuities. Diffraction solutions, analysis of basic structures, construction of more complex structures, and coupling using GTD are discussed.

Robust reconstruction of time-resolved diffraction from ultrafast streak cameras

PubMed Central

Badali, Daniel S.; Dwayne Miller, R. J.

2017-01-01

In conjunction with ultrafast diffraction, streak cameras offer an unprecedented opportunity for recording an entire molecular movie with a single probe pulse. This is an attractive alternative to conventional pump-probe experiments and opens the door to studying irreversible dynamics. However, due to the “smearing” of the diffraction pattern across the detector, the streaking technique has thus far been limited to simple mono-crystalline samples and extreme care has been taken to avoid overlapping diffraction spots. In this article, this limitation is addressed by developing a general theory of streaking of time-dependent diffraction patterns. Understanding the underlying physics of this process leads to the development of an algorithm based on Bayesian analysis to reconstruct the time evolution of the two-dimensional diffraction pattern from a single streaked image. It is demonstrated that this approach works on diffraction peaks that overlap when streaked, which not only removes the necessity of carefully choosing the streaking direction but also extends the streaking technique to be able to study polycrystalline samples and materials with complex crystalline structures. Furthermore, it is shown that the conventional analysis of streaked diffraction can lead to erroneous interpretations of the data. PMID:28653022

Classification and assessment of retrieved electron density maps in coherent X-ray diffraction imaging using multivariate analysis.

PubMed

Sekiguchi, Yuki; Oroguchi, Tomotaka; Nakasako, Masayoshi

2016-01-01

Coherent X-ray diffraction imaging (CXDI) is one of the techniques used to visualize structures of non-crystalline particles of micrometer to submicrometer size from materials and biological science. In the structural analysis of CXDI, the electron density map of a sample particle can theoretically be reconstructed from a diffraction pattern by using phase-retrieval (PR) algorithms. However, in practice, the reconstruction is difficult because diffraction patterns are affected by Poisson noise and miss data in small-angle regions due to the beam stop and the saturation of detector pixels. In contrast to X-ray protein crystallography, in which the phases of diffracted waves are experimentally estimated, phase retrieval in CXDI relies entirely on the computational procedure driven by the PR algorithms. Thus, objective criteria and methods to assess the accuracy of retrieved electron density maps are necessary in addition to conventional parameters monitoring the convergence of PR calculations. Here, a data analysis scheme, named ASURA, is proposed which selects the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a diffraction pattern. Each electron density map composed of J pixels is expressed as a point in a J-dimensional space. Principal component analysis is applied to describe characteristics in the distribution of the maps in the J-dimensional space. When the distribution is characterized by a small number of principal components, the distribution is classified using the k-means clustering method. The classified maps are evaluated by several parameters to assess the quality of the maps. Using the proposed scheme, structure analysis of a diffraction pattern from a non-crystalline particle is conducted in two stages: estimation of the overall shape and determination of the fine structure inside the support shape. In each stage, the most accurate and probable density maps are objectively selected. The validity of the proposed scheme is examined by application to diffraction data that were obtained from an aggregate of metal particles and a biological specimen at the XFEL facility SACLA using custom-made diffraction apparatus.

Solid state characterization and crystal structure from X-ray powder diffraction of two polymorphic forms of ranitidine base.

PubMed

de Armas, Héctor Novoa; Peeters, Oswald M; Blaton, Norbert; Van Gyseghem, Elke; Martens, Johan; Van Haele, Gerrit; Van Den Mooter, Guy

2009-01-01

Ranitidine hydrochloride (RAN-HCl), a known anti-ulcer drug, is the product of reaction between HCl and ranitidine base (RAN-B). RAN-HCl has been extensively studied; however this is not the case of the RAN-B. The solid state characterization of RAN-B polymorphs has been carried out using different analytical techniques (microscopy, thermal analysis, Fourier transform infrared spectrometry in the attenuated total reflection mode, (13)C-CPMAS-NMR spectroscopy and X-ray powder diffraction). The crystal structures of RAN-B form I and form II have been determined using conventional X-ray powder diffraction in combination with simulated annealing and whole profile pattern matching, and refined using rigid-body Rietveld refinement. RAN-B form I is a monoclinic polymorph with cell parameters: a = 7.317(2), b = 9.021(2), c = 25.098(6) A, beta = 95.690(1) degrees and space group P2(1)/c. The form II is orthorhombic: a = 31.252(4), b = 13.052(2), c = 8.0892(11) A with space group Pbca. In RAN-B polymorphs, the nitro group is involved in a strong intramolecular hydrogen bond responsible for the existence of a Z configuration in the enamine portion of the molecules. A tail to tail packing motif can be denoted via intermolecular hydrogen bonds. The crystal structures of RAN-B forms are compared to those of RAN-HCl polymorphs. RAN-B polymorphs are monotropic polymorphic pairs. (c) 2008 Wiley-Liss, Inc. and the American Pharmacists Association

Instrumental resolution as a function of scattering angle and wavelength as exemplified for the POWGEN instrument

PubMed Central

Jacobs, Philipp; Houben, Andreas; Schweika, Werner; Tchougréeff, Andrei L.; Dronskowski, Richard

2017-01-01

The method of angular- and wavelength-dispersive (e.g. two-dimensional) Rietveld refinement is a new and emerging tool for the analysis of neutron diffraction data measured at time-of-flight instruments with large area detectors. Following the approach for one-dimensional refinements (using either scattering angle or time of flight), the first step at each beam time cycle is the calibration of the instrument including the determination of instrumental contributions to the peak shape variation to be expected for diffraction patterns measured by the users. The aim of this work is to provide the users with calibration files and – for the later Rietveld refinement of the measured data – with an instrumental resolution file (IRF). This article will elaborate on the necessary steps to generate such an IRF for the angular- and wavelength-dispersive case, exemplified for the POWGEN instrument. A dataset measured on a standard diamond sample is used to extract the profile function in the two-dimensional case. It is found that the variation of reflection width with 2θ and λ can be expressed by the standard equation used for evaluating the instrumental resolution, which yields a substantially more fundamental approach to the parameterization of the instrumental contribution to the peak shape. Geometrical considerations of the POWGEN instrument and sample effects lead to values for Δθ, Δt and ΔL that yield a very good match to the extracted FWHM values. In a final step the refinement results are compared with the one-dimensional, i.e. diffraction-focused, case. PMID:28656041

Use of X-ray diffraction technique and chemometrics to aid soil sampling strategies in traceability studies.

PubMed

Bertacchini, Lucia; Durante, Caterina; Marchetti, Andrea; Sighinolfi, Simona; Silvestri, Michele; Cocchi, Marina

2012-08-30

Aim of this work is to assess the potentialities of the X-ray powder diffraction technique as fingerprinting technique, i.e. as a preliminary tool to assess soil samples variability, in terms of geochemical features, in the context of food geographical traceability. A correct approach to sampling procedure is always a critical issue in scientific investigation. In particular, in food geographical traceability studies, where the cause-effect relations between the soil of origin and the final foodstuff is sought, a representative sampling of the territory under investigation is certainly an imperative. This research concerns a pilot study to investigate the field homogeneity with respect to both field extension and sampling depth, taking also into account the seasonal variability. Four Lambrusco production sites of the Modena district were considered. The X-Ray diffraction spectra, collected on the powder of each soil sample, were treated as fingerprint profiles to be deciphered by multivariate and multi-way data analysis, namely PCA and PARAFAC. The differentiation pattern observed in soil samples, as obtained by this fast and non-destructive analytical approach, well matches with the results obtained by characterization with other costly analytical techniques, such as ICP/MS, GFAAS, FAAS, etc. Thus, the proposed approach furnishes a rational basis to reduce the number of soil samples to be collected for further analytical characterization, i.e. metals content, isotopic ratio of radiogenic element, etc., while maintaining an exhaustive description of the investigated production areas. Copyright © 2012 Elsevier B.V. All rights reserved.

Publications - GMC 297 | Alaska Division of Geological & Geophysical

Science.gov Websites

DGGS GMC 297 Publication Details Title: X-ray diffraction analysis of cuttings from the: Texaco Inc information. Bibliographic Reference Unknown, 2001, X-ray diffraction analysis of cuttings from the: Texaco

Publications - GMC 43 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 43 Publication Details Title: X-ray diffraction clay mineralogy analysis of 23 North Slope more information. Bibliographic Reference Unknown, 1983, X-ray diffraction clay mineralogy analysis of

X-ray Diffraction Investigation of Annealing Behavior of Peened Surface Deformation Layer on Precipitation Hardening Stainless Steel

NASA Astrophysics Data System (ADS)

Huang, Junjie; Wang, Zhou; Gan, Jin; Yang, Ying; Huang, Feng; Wu, Gang; Meng, Qingshuai

2018-05-01

In order to investigate the recrystallization behavior of peened surface deformation layer of precipitation hardening stainless steel, a classic x-ray diffraction line profile analysis, Voigt method, was carried out on peened 17-4PH with different isothermal annealing temperatures. The activation energy of domain boundary migration ( Q a) and the activation energy of microstrain relaxation ( Q b) were calculated by regression analysis in different annealing temperature conditions. The results show that the value of Q a decreases with annealing temperature increasing, which is due to the influence of precipitation (ɛ-Cu) size on the movements of grain and subgrain boundaries. The maximum growth rate of ɛ-Cu particles occurs during 400 to 500 °C interval. Compared with growth behavior of domain size, microstrain relaxation behavior is less sensitive to precipitation particle size. The effects of annealing temperature and time on dislocation density are both significant when annealing temperature is lower than 500 °C. However, the effect of annealing temperature on dislocation density becomes insignificant when annealing temperature is higher than 500 °C. 300 °C annealing temperature only leads to the microstrain relaxation but nearly cannot lead to the domain size growth even if prolonging annealing time. Microstructure enhancement effect still exists in plastic deformation layer when 300 °C annealing temperature lasts for 60 min but nearly disappears when 600 °C annealing temperature lasts for 20 min.

Graphene oxide as a nanocarrier for controlled release and targeted delivery of an anticancer active agent, chlorogenic acid.

PubMed

Barahuie, Farahnaz; Saifullah, Bullo; Dorniani, Dena; Fakurazi, Sharida; Karthivashan, Govindarajan; Hussein, Mohd Zobir; Elfghi, Fawzi M

2017-05-01

We have synthesized graphene oxide using improved Hummer's method in order to explore the potential use of the resulting graphene oxide as a nanocarrier for an active anticancer agent, chlorogenic acid (CA). The synthesized graphene oxide and chlorogenic acid-graphene oxide nanocomposite (CAGO) were characterized using Fourier transform infrared (FTIR) spectroscopy, thermogravimetry and differential thermogravimetry analysis, Raman spectroscopy, powder X-ray diffraction (PXRD), UV-vis spectroscopy and high resolution transmission electron microscopy (HRTEM) techniques. The successful conjugation of chlorogenic acid onto graphene oxide through hydrogen bonding and π-π interaction was confirmed by Raman spectroscopy, FTIR analysis and X-ray diffraction patterns. The loading of CA in the nanohybrid was estimated to be around 13.1% by UV-vis spectroscopy. The release profiles showed favourable, sustained and pH-dependent release of CA from CAGO nanocomposite and conformed well to the pseudo-second order kinetic model. Furthermore, the designed anticancer nanohybrid was thermally more stable than its counterpart. The in vitro cytotoxicity results revealed insignificant toxicity effect towards normal cell line, with a viability of >80% even at higher concentration of 50μg/mL. Contrarily, CAGO nanocomposite revealed enhanced toxic effect towards evaluated cancer cell lines (HepG2 human liver hepatocellular carcinoma cell line, A549 human lung adenocarcinoma epithelial cell line, and HeLa human cervical cancer cell line) compared to its free form. Copyright © 2016 Elsevier B.V. All rights reserved.

Self-organized TiO2 nanotube arrays in the photocatalytic degradation of methylene blue under UV light irradiation

NASA Astrophysics Data System (ADS)

Chung, Eun Hyuk; Baek, Seong Rim; Yu, Seong Mi; Kim, Jong Pil; Hong, Tae Eun; Kim, Hyun Gyu; Bae, Jong-Seong; Jeong, Euh Duck; Khan, F. Nawaz; Jung, Ok-sang

2015-04-01

Nanostructured titanium dioxide (NTiO2) is known to possess efficient photocatalytic activity and to have diverse applications in many fields due to its chemical stability, high surface area/volume ratio, high transmittance, and high refractive index in the visible and the near-ultraviolet regions. These facts prompted us to develop TiO2 nanotube (TiO2 NT) arrays through electrochemical anodic oxidation involving different electrolytes comprised of phosphoric acid — hydrofluoric acid aqueous systems by varying the voltage and the time. The annealing temperature of the nanotubes, TiO2 NTs, were varied to modify the surface morphology and were characterized by using X-ray diffraction and scanning electron microscopy. Scanning electron microscopy and X-ray diffraction results showed that the samples had uniform morphologies and good crystalline structures of the anatase phase at lower annealing temperatures and of the rutile phase at higher annealing temperatures. A secondary-ion mass-spectrometry analysis was used to investigate the surface atoms and to conduct a depth profile analysis of the TiO2 NTs. The efficiency of the photocatalytic activity of the TiO2 NT arrays in degrading methylene blue (MB) was investigated under UV-Vis light irradiation. The maximum photocatalytic activity was achieved for the samples with lower annealing temperatures due to their being in the anatase phase and having a higher surface area and a smaller crystal size, which play important roles in the degradation of organic pollutants.

X-ray Diffraction Investigation of Annealing Behavior of Peened Surface Deformation Layer on Precipitation Hardening Stainless Steel

NASA Astrophysics Data System (ADS)

Huang, Junjie; Wang, Zhou; Gan, Jin; Yang, Ying; Huang, Feng; Wu, Gang; Meng, Qingshuai

2018-04-01

In order to investigate the recrystallization behavior of peened surface deformation layer of precipitation hardening stainless steel, a classic x-ray diffraction line profile analysis, Voigt method, was carried out on peened 17-4PH with different isothermal annealing temperatures. The activation energy of domain boundary migration (Q a) and the activation energy of microstrain relaxation (Q b) were calculated by regression analysis in different annealing temperature conditions. The results show that the value of Q a decreases with annealing temperature increasing, which is due to the influence of precipitation (ɛ-Cu) size on the movements of grain and subgrain boundaries. The maximum growth rate of ɛ-Cu particles occurs during 400 to 500 °C interval. Compared with growth behavior of domain size, microstrain relaxation behavior is less sensitive to precipitation particle size. The effects of annealing temperature and time on dislocation density are both significant when annealing temperature is lower than 500 °C. However, the effect of annealing temperature on dislocation density becomes insignificant when annealing temperature is higher than 500 °C. 300 °C annealing temperature only leads to the microstrain relaxation but nearly cannot lead to the domain size growth even if prolonging annealing time. Microstructure enhancement effect still exists in plastic deformation layer when 300 °C annealing temperature lasts for 60 min but nearly disappears when 600 °C annealing temperature lasts for 20 min.

Producing superfluid circulation states using phase imprinting

NASA Astrophysics Data System (ADS)

Kumar, Avinash; Dubessy, Romain; Badr, Thomas; De Rossi, Camilla; de Goër de Herve, Mathieu; Longchambon, Laurent; Perrin, Hélène

2018-04-01

We propose a method to prepare states of given quantized circulation in annular Bose-Einstein condensates (BEC) confined in a ring trap using the method of phase imprinting without relying on a two-photon angular momentum transfer. The desired phase profile is imprinted on the atomic wave function using a short light pulse with a tailored intensity pattern generated with a spatial light modulator. We demonstrate the realization of "helicoidal" intensity profiles suitable for this purpose. Due to the diffraction limit, the theoretical steplike intensity profile is not achievable in practice. We investigate the effect of imprinting an intensity profile smoothed by a finite optical resolution onto the annular BEC with a numerical simulation of the time-dependent Gross-Pitaevskii equation. This allows us to optimize the intensity pattern for a given target circulation to compensate for the limited resolution.

Design of crossed planar phase grating for metrology

NASA Astrophysics Data System (ADS)

Tang, Yu; Chen, Xinrong; Li, Chaoming; Wang, Rui; Xu, Haiyan; Cheng, Yushui

2018-01-01

Crossed-grating is widely used as the standard element for metrology in two-dimensional precision positioning system. It has many advantages such as high resolution, compact structure, good environmental adaptability and less Abbe error. In this paper, the design of crossed planar reflecting phase grating used under the Littrow condition with circularly polarized light at 780nm wavelength has been carried out. The aim of the design is to find out the range of structure parameters of crossed-grating that has higher -1st order diffraction efficiency and good efficiency equilibrium for both of TE- and TM-polarized incident lights. By adoption of the Fourier modal method (FMM), the microstructure parameters of the 1200lines/mm crossed grating with the duty cycle range of 10% to 50% and the profile depth of 150nm to 350nm have been searched exactly. The calculation results show that: When the duty cycle range of the grating is 42% to 44% and profile depth is 210nm to 220nm, the -1st diffraction efficiencies of TE- and TM-polarized lights are both above 60% and the efficiency equilibrium is better than 80%.

Publications - GMC 95 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 95 Publication Details Title: X-ray diffraction analysis of seven core samples from the information. Bibliographic Reference Bergman, S.C., and Stuart, C.J., 1988, X-ray diffraction analysis of

Directional Auger Electron Spectroscopy — Physical Foundations and Applications

NASA Astrophysics Data System (ADS)

Mróz, S.

Experimental data about the dependence of the Auger signal from crystalline samples on the primary beam direction are presented and discussed. It is shown that, for Auger electrons and elastically and inelastically backscattered electrons, maxima of the signal in its dependence on the polar and azimuth angles of the primary beam (in polar and azimuth profiles, respectively) appear when the primary beam is parallel either to one of the close-packed rows of atoms or to one of the densely packed atomic planes in the sample. This indicates that the diffraction of the primary electron beam is responsible for the dependence mentioned above. Mechanisms proposed for simple explanation of this dependence (channeling and forward focusing of primary electrons) are presented and results of their application are discussed. It is shown that both those mechanisms play an important role in the creation of the Auger signal contrast. The possibilities and limitations of the application of polar and azimuth Auger emission profiles in the determination of the surface layer crystalline structure (directional Auger electron spectroscopy — DAES) are presented and discussed. It is shown that the thickness of the investigated surface layer can be decreased up to a few monolayers. Results obtained with DAES are similar to those provided by X-ray photoelectron diffraction (XPD) and Auger electron diffraction (AED), but the DAES experimental equipment is simple and inexpensive and measurements are fast. Finally, experimental systems for DAES are described and examples of DAES applications are presented.

Micro X-ray diffraction analysis of thin films using grazing-exit conditions.

PubMed

Noma, T; Iida, A

1998-05-01

An X-ray diffraction technique using a hard X-ray microbeam for thin-film analysis has been developed. To optimize the spatial resolution and the surface sensitivity, the X-ray microbeam strikes the sample surface at a large glancing angle while the diffracted X-ray signal is detected with a small (grazing) exit angle. Kirkpatrick-Baez optics developed at the Photon Factory were used, in combination with a multilayer monochromator, for focusing X-rays. The focused beam size was about 10 x 10 micro m. X-ray diffraction patterns of Pd, Pt and their layered structure were measured. Using a small exit angle, the signal-to-background ratio was improved due to a shallow escape depth. Under the grazing-exit condition, the refraction effect of diffracted X-rays was observed, indicating the possibility of surface sensitivity.

Modern Material Analysis Instruments Add a New Dimension to Materials Characterization and Failure Analysis

NASA Technical Reports Server (NTRS)

Panda, Binayak

2009-01-01

Modern analytical tools can yield invaluable results during materials characterization and failure analysis. Scanning electron microscopes (SEMs) provide significant analytical capabilities, including angstrom-level resolution. These systems can be equipped with a silicon drift detector (SDD) for very fast yet precise analytical mapping of phases, as well as electron back-scattered diffraction (EBSD) units to map grain orientations, chambers that admit large samples, variable pressure for wet samples, and quantitative analysis software to examine phases. Advanced solid-state electronics have also improved surface and bulk analysis instruments: Secondary ion mass spectroscopy (SIMS) can quantitatively determine and map light elements such as hydrogen, lithium, and boron - with their isotopes. Its high sensitivity detects impurities at parts per billion (ppb) levels. X-ray photo-electron spectroscopy (XPS) can determine oxidation states of elements, as well as identifying polymers and measuring film thicknesses on coated composites. This technique is also known as electron spectroscopy for chemical analysis (ESCA). Scanning Auger electron spectroscopy (SAM) combines surface sensitivity, spatial lateral resolution (10 nm), and depth profiling capabilities to describe elemental compositions of near and below surface regions down to the chemical state of an atom.

The Effect of Temperature and Rotational Speed on Structure and Mechanical Properties of Cast Cu Base Alloy (Cu-Al-Si-Fe) Welded by Semisolid Stir Joining Method

NASA Astrophysics Data System (ADS)

Ferasat, Keyvan; Aashuri, Hossein; Kokabi, Amir Hossein; Shafizadeh, Mahdi; Nikzad, Siamak

2015-12-01

Semisolid stir joining has been under deliberation as a possible method for joining of copper alloys. In this study, the effect of temperature and rotational speed of stirrer on macrostructure evaluation and mechanical properties of samples were investigated. Optical microscopy and X-ray diffraction were performed for macro and microstructural analysis. A uniform micro-hardness profile was attained by semisolid stir joining method. The ultimate shear strength and bending strength of welded samples were improved in comparison with the cast sample. There is also lower area porosity in welded samples than the cast metal. The mechanical properties were improved by increasing temperature and rotational speed of the joining process.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Haishuang; Krysiak, Yaşar; Hoffmann, Kristin

The crystal structure and disorder phenomena of Al{sub 4}B{sub 2}O{sub 9}, an aluminum borate from the mullite-type family, were studied using automated diffraction tomography (ADT), a recently established method for collection and analysis of electron diffraction data. Al{sub 4}B{sub 2}O{sub 9}, prepared by sol-gel approach, crystallizes in the monoclinic space group C2/m. The ab initio structure determination based on three-dimensional electron diffraction data from single ordered crystals reveals that edge-connected AlO{sub 6} octahedra expanding along the b axis constitute the backbone. The ordered structure (A) was confirmed by TEM and HAADF-STEM images. Furthermore, disordered crystals with diffuse scattering along themore » b axis are observed. Analysis of the modulation pattern implies a mean superstructure (AAB) with a threefold b axis, where B corresponds to an A layer shifted by ½a and ½c. Diffraction patterns simulated for the AAB sequence including additional stacking disorder are in good agreement with experimental electron diffraction patterns. - Graphical abstract: Crystal structure and disorder phenomena of B-rich Al{sub 4}B{sub 2}O{sub 9} studied by automated electron diffraction tomography (ADT) and described by diffraction simulation using DISCUS. - Highlights: • Ab-initio structure solution by electron diffraction from single nanocrystals. • Detected modulation corresponding mainly to three-fold superstructure. • Diffuse diffraction streaks caused by stacking faults in disordered crystals. • Observed streaks explained by simulated electron diffraction patterns.« less

Analysis of the role of diffraction in topographic site effects using boundary element techniques

NASA Astrophysics Data System (ADS)

Gomez, Juan; Restrepo, Doriam; Jaramillo, Juan; Valencia, Camilo

2013-10-01

The role played by the diffraction field on the problem of seismic site effects is studied. For that purpose we solve and analyze simple scattering problems under P and SV in-plane wave assumptions, using two well known direct boundary-element-based numerical methods. After establishing the difference between scattered and diffracted motions, and introducing the concept of artificious and physically based incoming fields, we obtain the amplitude of the Fourier spectra for the diffracted part of the response: this is achieved after establishing the connection between the spatial distribution of the transfer function over the studied simple topographies and the diffracted field. From the numerical simulations it is observed that this diffracted part of the response is responsible for the amplification of the surface ground motions due to the geometric effect. Furthermore, it is also found that the diffraction field sets in a fingerprint of the topographic effect in the total ground motions. These conclusions are further supported by observations in the time-domain in terms of snapshots of the propagation patterns over the complete computational model. In this sense the geometric singularities are clearly identified as sources of diffraction and for the considered range of dimensionless frequencies it is evident that larger amplifications are obtained for the geometries containing a larger number of diffraction sources thus resulting in a stronger topographic effect. The need for closed-form solutions of canonical problems to construct a robust analysis method based on the diffraction field is identified.

Synthesis of dynamic phase profile by the correlation technique for spatial control of optical beams in multiplexing and switching

NASA Astrophysics Data System (ADS)

Bugaychuk, Svitlana A.; Gnatovskyy, Vladimir O.; Sidorenko, Andrey V.; Pryadko, Igor I.; Negriyko, Anatoliy M.

2015-11-01

New approach for the correlation technique, which is based on multiple periodic structures to create a controllable angular spectrum, is proposed and investigated both theoretically and experimentally. The transformation of an initial laser beam occurs due to the actions of consecutive phase periodic structures, which may differ by their parameters. Then, after the Fourier transformation of a complex diffraction field, the output diffraction orders will be changed both by their intensities and by their spatial position. The controllable change of output angular spectrum is carried out by a simple control of the parameters of the periodic structures. We investigate several simple examples of such management.

High-pressure x-ray diffraction study on lithium borohydride using a synchrotron radiation

NASA Astrophysics Data System (ADS)

Nakano, S.; Nakayama, A.; Kikegawa, T.

2008-07-01

Lithium borohydride (LiBH4) was compressed up to 10 GPa using a diamond-anvil-cell to investigate its high-pressure structure. In-situ x-ray diffraction profiles indicated a pressure-induced transformation at 1.1 GPa, which was consistent with the previous experimental observation such as Raman scattering spectroscopy. The high-pressure phase was indexed on a tetragonal symmetry of P42/mmc, which was not corresponding some structural models proposed by previous calculation studies. An unknown substance (presumably another Li-B-H compound), which was contained in the starting material, also transformed into its high-pressure phase at 0.6 GPa without any relation to the transformation of LiBH4.

In situ strain profiling of elastoplastic bending in Ti-6Al-4V alloy by synchrotron energy dispersive x-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Croft, M.; National Synchrotron Light Source, Brookhaven National Laboratory, Upton, New York 11973; Shukla, V.

Elastic and plastic strain evolution under four-point bending has been studied by synchrotron energy dispersive x-ray diffraction. Measured strain profiles across the specimen thickness showed an increasing linear elastic strain gradient under increasing four-point bending load up to approx2 kN. The bulk elastic modulus of Ti-6Al-4V was determined as 118 GPa. The onset of plastic deformation was found to set in at a total in-plane strain of approx0.008, both under tension and compression. Plastic deformation under bending is initiated in the vicinity of the surface and at a stress of 1100 MPa, and propagates inward, while a finite core regionmore » remains elastically deformed up to 3.67 kN loading. The onset of the plastic regime and the plastic regime itself has been verified by monitoring the line broadening of the (100) peak of alpha-Ti. The effective compression/tension stress-strain curve has been obtained from the scaling collapse of strain profile data taken at seven external load levels. A similar multiple load scaling collapse of the plastic strain variation has also been obtained. The level of precision in strain measurement reported herein was evaluated and found to be 1.5x10{sup -5} or better.« less

Publications - GMC 361 | Alaska Division of Geological & Geophysical

Science.gov Websites

DGGS GMC 361 Publication Details Title: X-ray Diffraction Analysis of: Drew Point #1, East Simpson Test , 2009, X-ray Diffraction Analysis of: Drew Point #1, East Simpson Test Well #1, East Simpson #2

Publications - GMC 41 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 41 Publication Details Title: X-ray diffraction clay mineralogy analysis of core samples from Unknown, [n.d.], X-ray diffraction clay mineralogy analysis of core samples from Mobil West Staines State

Modeling and measurements of XRD spectra of extended solids under high pressure

NASA Astrophysics Data System (ADS)

Batyrev, I. G.; Coleman, S. P.; Stavrou, E.; Zaug, J. M.; Ciezak-Jenkins, J. A.

2017-06-01

We present results of evolutionary simulations based on density functional calculations of various extended solids: N-Si and N-H using variable and fixed concentration methods of USPEX. Predicted from the evolutionary simulations structures were analyzed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction spectra. Stability of the predicted system was estimated from convex-hull plots. X-ray diffraction spectra were calculated using a virtual diffraction algorithm which computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculations of thousands of XRD spectra were used to search for a structure of extended solids at certain pressures with best fits to experimental data according to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Comparison of Raman and IR spectra calculated for best fitted structures with available experimental data shows reasonable agreement for certain vibration modes. Part of this work was performed by LLNL, Contract DE-AC52-07NA27344. We thank the Joint DoD / DOE Munitions Technology Development Program, the HE C-II research program at LLNL and Advanced Light Source, supported by BES DOE, Contract No. DE-AC02-05CH112.

Energy loss and inelastic diffraction of fast atoms at grazing incidence

NASA Astrophysics Data System (ADS)

Roncin, Philippe; Debiossac, Maxime; Oueslati, Hanene; Raouafi, Fayçal

2018-07-01

The diffraction of fast atoms at grazing incidence on crystal surfaces (GIFAD) was first interpreted only in terms of elastic diffraction from a perfectly periodic rigid surface with atoms fixed at equilibrium positions. Recently, a new approach has been proposed, referred here as the quantum binary collision model (QBCM). The QBCM takes into account both the elastic and inelastic momentum transfers via the Lamb-Dicke probability. It suggests that the shape of the inelastic diffraction profiles are log-normal distributions with a variance proportional to the nuclear energy loss deposited on the surface. For keV Neon atoms impinging on a LiF(0 0 1) surface under an incidence angle θ , the predictions of the QBCM in its analytic version are compared with numerical trajectory simulations. Some of the assumptions such as the planar continuous form, the possibility to neglect the role of lithium atoms and the influence of temperature are investigated. A specific energy loss dependence ΔE ∝θ7 is identified in the quasi-elastic regime merging progressively to the classical onset ΔE ∝θ3 . The ratio of these two predictions highlights the role of quantum effects in the energy loss.

Image contrast of diffraction-limited telescopes for circular incoherent sources of uniform radiance

NASA Technical Reports Server (NTRS)

Shackleford, W. L.

1980-01-01

A simple approximate formula is derived for the background intensity beyond the edge of the image of uniform incoherent circular light source relative to the irradiance near the center of the image. The analysis applies to diffraction-limited telescopes with or without central beam obscuration due to a secondary mirror. Scattering off optical surfaces is neglected. The analysis is expected to be most applicable to spaceborne IR telescopes, for which diffraction can be the major source of off-axis response.

Analysis of XFEL serial diffraction data from individual crystalline fibrils

PubMed Central

Wojtas, David H.; Ayyer, Kartik; Liang, Mengning; Mossou, Estelle; Romoli, Filippo; Seuring, Carolin; Beyerlein, Kenneth R.; Bean, Richard J.; Morgan, Andrew J.; Oberthuer, Dominik; Fleckenstein, Holger; Heymann, Michael; Gati, Cornelius; Yefanov, Oleksandr; Barthelmess, Miriam; Ornithopoulou, Eirini; Galli, Lorenzo; Xavier, P. Lourdu; Ling, Wai Li; Frank, Matthias; Yoon, Chun Hong; White, Thomas A.; Bajt, Saša; Mitraki, Anna; Boutet, Sebastien; Aquila, Andrew; Barty, Anton; Forsyth, V. Trevor; Chapman, Henry N.; Millane, Rick P.

2017-01-01

Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. The advantages of this technique should allow structural studies of fibrous systems in biology that are inaccessible using existing techniques. PMID:29123682

Structural investigation of Mimosa pudica Linn fibre

NASA Astrophysics Data System (ADS)

Patra, S. R.; Pattojoshi, P.; Tiwari, T. N.; Mallick, B.

2017-04-01

Sensitive plant ( Mimosa pudica Linn.) fibre is a natural fibre with electrically conductive property. Because of its electro-active sensing nature, it has been found very interesting among physicists, chemists, biologists, material scientists and technologists. So far as our knowledge is concerned; there is no report on the X-ray structure of M. pudica fibre using diffraction technique. In the present report, the M. pudica fibre has been extracted from the stem of the herb by sinking the stem in 10% NaOH solution for one week. The diffraction pattern of the fibre is found out to be cellulose-I. The effect of the fibre structure and its orientation due to different mounting have been investigated using X-ray diffraction technique. The I max of cellulose-I has been observed along (002) and (10\\overline{1)} for the perpendicular and parallel mounting of the native-fibre, respectively. Full width at half maxima of the diffraction profile turns out to be decreased with fibre orientation. Dimension of crystallite size D hkl estimated in the perpendicular mounting D_{hkl}^{ \\bot } is more as compared to that of the parallel mounting D_{hkl}^{{^{allel } }}. The smallest crystallite sizes observed in both parallel and perpendicular mounting are 18.78 and 30.78 Å respectively. It is expected that the present study may help to analyse the X-ray diffraction of fibre materials in general and natural fibres in particular.

The Scherrer equation and the dynamical theory of X-ray diffraction.

PubMed

Muniz, Francisco Tiago Leitão; Miranda, Marcus Aurélio Ribeiro; Morilla Dos Santos, Cássio; Sasaki, José Marcos

2016-05-01

The Scherrer equation is a widely used tool to determine the crystallite size of polycrystalline samples. However, it is not clear if one can apply it to large crystallite sizes because its derivation is based on the kinematical theory of X-ray diffraction. For large and perfect crystals, it is more appropriate to use the dynamical theory of X-ray diffraction. Because of the appearance of polycrystalline materials with a high degree of crystalline perfection and large sizes, it is the authors' belief that it is important to establish the crystallite size limit for which the Scherrer equation can be applied. In this work, the diffraction peak profiles are calculated using the dynamical theory of X-ray diffraction for several Bragg reflections and crystallite sizes for Si, LaB6 and CeO2. The full width at half-maximum is then extracted and the crystallite size is computed using the Scherrer equation. It is shown that for crystals with linear absorption coefficients below 2117.3 cm(-1) the Scherrer equation is valid for crystallites with sizes up to 600 nm. It is also shown that as the size increases only the peaks at higher 2θ angles give good results, and if one uses peaks with 2θ > 60° the limit for use of the Scherrer equation would go up to 1 µm.

Texture and phase analysis of deformed SUS304 by using HIPPO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takajo, Shigehiro; Vogel, Sven C.

2016-11-15

These slides represent the author's research activity at Los Alamos National Laboratory (LANL), which is about texture and phase analysis of deformed SUS304 by using HIPPO. The following topics are covered: diffraction histogram at each sample position, diffraction histogram (all bank data averaged), possiblity of ε-phase, MAUD analysis with including ε-phase.

Spin-to-orbit conversion at acousto-optic diffraction of light: conservation of optical angular momentum.

PubMed

Skab, Ihor; Vlokh, Rostyslav

2012-04-01

Acousto-optic diffraction of light in optically active cubic crystals is analyzed from the viewpoint of conservation of optical angular momentum. It is shown that the availability of angular momentum in the diffracted optical beam can be necessarily inferred from the requirements of angular momentum conservation law. As follows from our analysis, a circularly polarized diffracted wave should bear an orbital angular momentum. The efficiency of the spin-to-orbit momentum conversion is governed by the efficiency of acousto-optic diffraction.

Crystallographic Determination of Molecular Parameters for K2SiF6: A Physical Chemistry Laboratory Experiment.

ERIC Educational Resources Information Center

Loehlin, James H.; Norton, Alexandra P.

1988-01-01

Describes a crystallography experiment using both diffraction-angle and diffraction-intensity information to determine the lattice constant and a lattice independent molecular parameter, while still employing standard X-ray powder diffraction techniques. Details the method, experimental details, and analysis for this activity. (CW)

Effect of Fe doping on structural and impedance properties of PZTFN ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Arvind, E-mail: arvindmse07311209.in@gmail.com; Pal, Vijayeta; Mishra, S. K.

2016-05-06

An attempts have been made to synthesis the ceramics Pb{sub 1-3x/2} Fe{sub x}(Zr{sub 0.52}Ti{sub 0.48}){sub 1-5y/4} NbyO{sub 3} abbreviated as (PFZTN) for x = 1-6 mol% and y = 5.5 mol% by a semi-wet route. In the present paper, we have investigated the effect of Fe doping on structural and electrical properties of the PFZTN ceramics. X-ray diffraction (XRD) patterns reveal that PFZTN ceramics are single phase in nature. However, for x = 0.05 and 0.06, a secondary phase appears as discernible from the XRD profiles. Rietveld analysis of the powder diffraction data shows the presence of coexistence of tetragonal (P4mm spacemore » group) and rhombohedral phases (R3c space group) occurs near the morphotropic phase boundary (MPB) at x ≥ = 0.05. The log-log plots show that the conductivity increases with increase of temperature. The ac conductivity becomes sensitive at high frequency region and shifted towards higher frequency side with increasing temperature. It is observed that the activation energy (Ea) decreases with increasing frequency. This complex perovskite structure can be used as a multilayer ceramic capacitors and electromechanical transducers.« less

A Holistic Multi Evidence Approach to Study the Fragmentation Behaviour of Crystalline Mannitol

PubMed Central

Koner, Jasdip S.; Rajabi-Siahboomi, Ali; Bowen, James; Perrie, Yvonne; Kirby, Daniel; Mohammed, Afzal R.

2015-01-01

Mannitol is an essential excipient employed in orally disintegrating tablets due to its high palatability. However its fundamental disadvantage is its fragmentation during direct compression, producing mechanically weak tablets. The primary aim of this study was to assess the fracture behaviour of crystalline mannitol in relation to the energy input during direct compression, utilising ball milling as the method of energy input, whilst assessing tablet characteristics of post-milled powders. Results indicated that crystalline mannitol fractured at the hydrophilic (011) plane, as observed through SEM, alongside a reduction in dispersive surface energy. Disintegration times of post-milled tablets were reduced due to the exposure of the hydrophilic plane, whilst more robust tablets were produced. This was shown through higher tablet hardness and increased plastic deformation profiles of the post-milled powders, as observed with a lower yield pressure through an out-of-die Heckel analysis. Evaluation of crystal state using x-ray diffraction/differential scanning calorimetry showed that mannitol predominantly retained the β-polymorph; however x-ray diffraction provided a novel method to calculate energy input into the powders during ball milling. It can be concluded that particle size reduction is a pragmatic strategy to overcome the current limitation of mannitol fragmentation and provide improvements in tablet properties. PMID:26553127

Careful stoichiometry monitoring and doping control during the tunneling interface growth of an n + InAs(Si)/p + GaSb(Si) Esaki diode

NASA Astrophysics Data System (ADS)

El Kazzi, S.; Alian, A.; Hsu, B.; Verhulst, A. S.; Walke, A.; Favia, P.; Douhard, B.; Lu, W.; del Alamo, J. A.; Collaert, N.; Merckling, C.

2018-02-01

In this work, we report on the growth of pseudomorphic and highly doped InAs(Si)/GaSb(Si) heterostructures on p-type (0 0 1)-oriented GaSb substrate and the fabrication and characterization of n+/p+ Esaki tunneling diodes. We particularly study the influence of the Molecular Beam Epitaxy shutter sequences on the structural and electrical characteristics of InAs(Si)/GaSb(Si) Esaki diodes structures. We use real time Reflection High Electron Diffraction analysis to monitor different interface stoichiometry at the tunneling interface. With Atomic Force Microscopy, X-ray diffraction and Transmission Electron Microscopy analyses, we demonstrate that an "InSb-like" interface leads to a sharp and defect-free interface exhibiting high quality InAs(Si) crystal growth contrary to the "GaAs-like" one. We then prove by means of Secondary Ion Mass Spectroscopy profiles that Si-diffusion at the interface allows the growth of highly Si-doped InAs/GaSb diodes without any III-V material deterioration. Finally, simulations are conducted to explain our electrical results where a high Band to Band Tunneling (BTBT) peak current density of Jp = 8 mA/μm2 is achieved.

A Holistic Multi Evidence Approach to Study the Fragmentation Behaviour of Crystalline Mannitol

NASA Astrophysics Data System (ADS)

Koner, Jasdip S.; Rajabi-Siahboomi, Ali; Bowen, James; Perrie, Yvonne; Kirby, Daniel; Mohammed, Afzal R.

2015-11-01

Mannitol is an essential excipient employed in orally disintegrating tablets due to its high palatability. However its fundamental disadvantage is its fragmentation during direct compression, producing mechanically weak tablets. The primary aim of this study was to assess the fracture behaviour of crystalline mannitol in relation to the energy input during direct compression, utilising ball milling as the method of energy input, whilst assessing tablet characteristics of post-milled powders. Results indicated that crystalline mannitol fractured at the hydrophilic (011) plane, as observed through SEM, alongside a reduction in dispersive surface energy. Disintegration times of post-milled tablets were reduced due to the exposure of the hydrophilic plane, whilst more robust tablets were produced. This was shown through higher tablet hardness and increased plastic deformation profiles of the post-milled powders, as observed with a lower yield pressure through an out-of-die Heckel analysis. Evaluation of crystal state using x-ray diffraction/differential scanning calorimetry showed that mannitol predominantly retained the β-polymorph however x-ray diffraction provided a novel method to calculate energy input into the powders during ball milling. It can be concluded that particle size reduction is a pragmatic strategy to overcome the current limitation of mannitol fragmentation and provide improvements in tablet properties.

Assessing Strain Mapping by Electron Backscatter Diffraction and Confocal Raman Microscopy Using Wedge-indented Si

PubMed Central

Friedman, Lawrence H.; Vaudin, Mark D.; Stranick, Stephan J.; Stan, Gheorghe; Gerbig, Yvonne B.; Osborn, William; Cook, Robert F.

2016-01-01

The accuracy of electron backscatter diffraction (EBSD) and confocal Raman microscopy (CRM) for small-scale strain mapping are assessed using the multi-axial strain field surrounding a wedge indentation in Si as a test vehicle. The strain field is modeled using finite element analysis (FEA) that is adapted to the near-indentation surface profile measured by atomic force microscopy (AFM). The assessment consists of (1) direct experimental comparisons of strain and deformation and (2) comparisons in which the modeled strain field is used as an intermediate step. Direct experimental methods (1) consist of comparisons of surface elevation and gradient measured by AFM and EBSD and of Raman shifts measured and predicted by CRM and EBSD, respectively. Comparisons that utilize the combined FEA-AFM model (2) consist of predictions of distortion, strain, and rotation for comparison with EBSD measurements and predictions of Raman shift for comparison with CRM measurements. For both EBSD and CRM, convolution of measurements in depth-varying strain fields is considered. The interconnected comparisons suggest that EBSD was able to provide an accurate assessment of the wedge indentation deformation field to within the precision of the measurements, approximately 2 × 10−4 in strain. CRM was similarly precise, but was limited in accuracy to several times this value. PMID:26939030

Effect of laser shot peening on precipitation hardened aluminum alloy 6061-T6 using low energy laser

NASA Astrophysics Data System (ADS)

Sathyajith, S.; Kalainathan, S.

2012-03-01

Mechanical properties of engineering material can be improved by introducing compressive residual stress on the material surface and refinement of their microstructure. Variety of mechanical process such as shot peening, water jet peening, ultrasonic peening, laser shot peening were developed in the last decades on this contrast. Among these, lasers shot peening emerged as a novel industrial treatment to improve the crack resistance of turbine blades and the stress corrosion cracking (SCC) of austenic stainless steel in power plants. In this study we successfully performed laser shot peening on precipitation hardened aluminum alloy 6061-T6 with low energy (300 mJ, 1064 nm) Nd:YAG laser using different pulse densities of 22 pulses/mm 2 and 32 pulses/mm 2. Residual stress evaluation based on X-ray diffraction sin 2 ψ method indicates a maximum of 190% percentage increase on surface compressive stress. Depth profile of micro-hardness shows the impact of laser generated shock wave up to 1.2 mm from the surface. Apart from that, the crystalline size and micro-strain on the laser shot peened surfaces have been investigated and compared with the unpeened surface using X-ray diffraction in conjunction with line broadening analysis through the Williamson-Hall plot.

Computer-based classification of bacteria species by analysis of their colonies Fresnel diffraction patterns

NASA Astrophysics Data System (ADS)

Suchwalko, Agnieszka; Buzalewicz, Igor; Podbielska, Halina

2012-01-01

In the presented paper the optical system with converging spherical wave illumination for classification of bacteria species, is proposed. It allows for compression of the observation space, observation of Fresnel patterns, diffraction pattern scaling and low level of optical aberrations, which are not possessed by other optical configurations. Obtained experimental results have shown that colonies of specific bacteria species generate unique diffraction signatures. Analysis of Fresnel diffraction patterns of bacteria colonies can be fast and reliable method for classification and recognition of bacteria species. To determine the unique features of bacteria colonies diffraction patterns the image processing analysis was proposed. Classification can be performed by analyzing the spatial structure of diffraction patterns, which can be characterized by set of concentric rings. The characteristics of such rings depends on the bacteria species. In the paper, the influence of basic features and ring partitioning number on the bacteria classification, is analyzed. It is demonstrated that Fresnel patterns can be used for classification of following species: Salmonella enteritidis, Staplyococcus aureus, Proteus mirabilis and Citrobacter freundii. Image processing is performed by free ImageJ software, for which a special macro with human interaction, was written. LDA classification, CV method, ANOVA and PCA visualizations preceded by image data extraction were conducted using the free software R.

Voyager radio occultation by the Uranian rings: Structure, dynamics, and particle sizes. Ph.D. Thesis Final Technical Report

NASA Technical Reports Server (NTRS)

Gresh, Donna Leigh

1990-01-01

Diffraction of Voyager 2's 3.6 and 13 cm wavelength microwaves by the Uranian rings is removed through an inverse Fresnel transform filtering procedure that accommodates the significant eccentricity of the rings. Resulting 50 m resolution profiles at two observation longitudes: (1) reveal remarkably detailed and longitudinally varying structure, (2) provide eccentricity gradient profiles of Rings alpha, beta, and epsilon which bring into question current theoretical models for observed rigid precession, and (3) suggest that two possible unseen satellites may confine some of the very sharp edges observed via resonant interactions.

Imaging 2D optical diffuse reflectance in skeletal muscle

NASA Astrophysics Data System (ADS)

Ranasinghesagara, Janaka; Yao, Gang

2007-04-01

We discovered a unique pattern of optical reflectance from fresh prerigor skeletal muscles, which can not be described using existing theories. A numerical fitting function was developed to quantify the equiintensity contours of acquired reflectance images. Using this model, we studied the changes of reflectance profile during stretching and rigor process. We found that the prominent anisotropic features diminished after rigor completion. These results suggested that muscle sarcomere structures played important roles in modulating light propagation in whole muscle. When incorporating the sarcomere diffraction in a Monte Carlo model, we showed that the resulting reflectance profiles quantitatively resembled the experimental observation.

Diffraction analysis of customized illumination technique

NASA Astrophysics Data System (ADS)

Lim, Chang-Moon; Kim, Seo-Min; Eom, Tae-Seung; Moon, Seung Chan; Shin, Ki S.

2004-05-01

Various enhancement techniques such as alternating PSM, chrome-less phase lithography, double exposure, etc. have been considered as driving forces to lead the production k1 factor towards below 0.35. Among them, a layer specific optimization of illumination mode, so-called customized illumination technique receives deep attentions from lithographers recently. A new approach for illumination customization based on diffraction spectrum analysis is suggested in this paper. Illumination pupil is divided into various diffraction domains by comparing the similarity of the confined diffraction spectrum. Singular imaging property of individual diffraction domain makes it easier to build and understand the customized illumination shape. By comparing the goodness of image in each domain, it was possible to achieve the customized shape of illumination. With the help from this technique, it was found that the layout change would not gives the change in the shape of customized illumination mode.

One-Micron Beams for Macromolecular Crystallography at GM/CA-CAT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoder, D. W.; Sanishvili, R.; Xu, S.

2010-06-23

GM/CA-CAT has developed a 1-{mu}m beam for challenging micro-diffraction experiments with macromolecular crystals (e.g. small crystals) and for radiation damage studies. Reflective (Kirkpatrick-Baez mirrors) and diffractive (Fresnel zone plates) optics have been used to focus the beam. Both cases are constrained by the need to maintain a small beam convergence. Using two different zone plates, 1.0x1.0 and 0.8x0.9 {mu}m{sup 2} (VxH,FWHM) beams were created at 15.2 keV and 18.5 keV, respectively. Additionally, by introducing a vertical focusing mirror upstream of the zone plate, a line focus at 15.2 keV was created (28x1.4 {mu}m{sup 2} VxH,FWHM) with the line oriented perpendicularmore » to the X-ray polarization and the crystal rotation axis. Crystal-mounting stages with nanometer resolution have been assembled to profile these beams and to perform diffraction experiments.« less

Creation of vector beams from a polarization diffraction grating using a programmable liquid crystal spatial light modulator and a q-plate

NASA Astrophysics Data System (ADS)

Badham, Katherine Emily

This thesis presents the ability of complete polarization control of light to create a polarization diffraction grating (PDG). This system has the ability to create diffracted light with each order having a separate high-order polarization state in one location on the optical axis. First, an external Excel program is used to create a grating phase profile from userspecified target diffraction orders. High-order vector beams in this PDG are created using a combination of two devices---a liquid crystal spatial light modulator (LC-SLM) manufactured by Seiko Epson, and a tunable q -plate from Citizen Holdings Co. The transmissive SLM is positioned in an optical setup with a reflective architecture allowing control over both the horizontal and vertical components of the laser beam. The SLM has its LC director oriented vertically only affecting the vertically polarized state, however, the optical setup allows modulation of both vertical and horizontal components by the use of a quarter-wave plate (QWP) and a mirror to rotate the polarizations 90 degrees. Each half of the SLM is encoded with an anisotropic phase-only diffraction grating which are superimposed to create a select number of orders with the desired polarization states and equally distributed intensity. The technique of polarimetry is used to confirm the polarization state of each diffraction order. The q-plate is an inhomogeneous birefringent waveplate which has the ability to convert zero-order vector beams into first-order vector beams. The physical placement of this device into the system converts the orders with zero-order polarization states to first-order polarization states. The light vector patterns of each diffraction order confirm which first-order polarization state of is produced. A specially made PDG sextuplicator is encoded onto the SLM to generate six diffraction orders with separate states of polarization.

Crystallography of decahedral and icosahedral particles. II - High symmetry orientations

NASA Technical Reports Server (NTRS)

Yang, C. Y.; Yacaman, M. J.; Heinemann, K.

1979-01-01

Based on the exact crystal structure of decahedral and icosahedral particles, high energy electron diffraction patterns and image profiles have been derived for various high symmetry orientations of the particles with respect to the incident beam. These results form a basis for the identification of small metal particle structures with advanced methods of transmission electron microscopy.

Time Resolved X-Ray Diffraction Study of Acoustoelectrically Amplified Phonons.

NASA Astrophysics Data System (ADS)

Chapman, Leroy Dean

X-rays diffracted by nearly perfect crystals of n-type InSb have been investigated in the presence of intense acoustoelectrically (A.E.) amplified phonons. The fact that these phonons are nearly monochromatic and have a well defined propagation and polarization direction presents an excellent opportunity to investigate the nature of x -ray photon-phonon scattering in a diffracting crystal. The Debye-Waller factor which accounts for the attenuation of diffracted x-ray intensities due to thermal phonons is reflection dependent owing to its sin (theta)/(lamda) dependence. We have performed experiments comparing the (004) and (008) anomalously transmitted intensities as a function of A.E. amplified flux. The attenuation of both reflections due to the amplified phonons was the same in direct contradiction to an expected sin (theta)/(lamda) dependence. Some possible reasons for this failure are discussed. In a Bragg reflection scattering geometry, the intense monochromatic amplified phonons give rise to satellite peaks symmetrically located about the central elastic Brag peak in a rocking profile. We report in this thesis on the first observation of satellites in a thin crystal Laue transmission geometry. We have theoretically simulated the rocking profiles with some success. The A.E. amplification process in InSb is strongly favored for {110} propagation fast transverse (FT) phonons. In earlier experiments it was found that non-{110} FT phonons were also produced during the amplification process. We have developed a time resolved x-ray counting system which, in conjunction with a spatially resolved x-ray beam and a localized, traveling A.E. phonon distribution, allow the time evolution of the amplified distribution to be followed. We report on time resolved measurements for both the symmetric Bragg and Laue geometries from which we can determine when and where non-{110 } FT flux is generated and restrict the possible mechanisms for its generation.

Comparison of dislocation content measured with transmission electron microscopy and micro-Laue diffraction based streak analysis

DOE PAGES

Zhang, C.; Balachandran, S.; Eisenlohr, P.; ...

2017-10-04

The subsurface dislocation content in a Ti-5Al-2.5Sn (wt%) uniaxial tension sample deformed at ambient temperature was characterized by peak streak analysis of micro-Laue diffraction patterns collected non-destructively by differential aperture X-raymicroscopy, and with focused ion beam transmission electron microscopy of material in the same volume. This comparison reveals that micro-Laue diffraction streak analysis based on an edge dislocation assumption can accurately identify the dominant dislocation slip system history (Burgers vector and plane observed by TEM), despite the fact that dislocations have predominantly screw character. As a result, other dislocations identified by TEM were not convincingly discernible from the peak streakmore » analysis.« less

Comparison of dislocation content measured with transmission electron microscopy and micro-Laue diffraction based streak analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, C.; Balachandran, S.; Eisenlohr, P.

The subsurface dislocation content in a Ti-5Al-2.5Sn (wt%) uniaxial tension sample deformed at ambient temperature was characterized by peak streak analysis of micro-Laue diffraction patterns collected non-destructively by differential aperture X-raymicroscopy, and with focused ion beam transmission electron microscopy of material in the same volume. This comparison reveals that micro-Laue diffraction streak analysis based on an edge dislocation assumption can accurately identify the dominant dislocation slip system history (Burgers vector and plane observed by TEM), despite the fact that dislocations have predominantly screw character. As a result, other dislocations identified by TEM were not convincingly discernible from the peak streakmore » analysis.« less

Enhanced piezoelectricity in A B O3 ferroelectrics via intrinsic stress-driven flattening of the free-energy profile

NASA Astrophysics Data System (ADS)

Feng, Yu; Li, Wei-Li; Yu, Yang; Jia, He-Nan; Qiao, Yu-Long; Fei, Wei-Dong

2017-11-01

An approach to greatly enhance the piezoelectric properties (˜4 00 pC/N) of the tetragonal BaTi O3 polycrystal using a small number of A -site acceptor-donor substitutions [D. Xu et al., Acta Mater. 79, 84 (2014), 10.1016/j.actamat.2014.07.023] has been proposed. In this study, Pb (ZrTi ) O3 (PZT) based polycrystals with various crystal symmetries (tetragonal, rhombohedral, and so on) were chosen to investigate the piezoelectricity enhancement mechanism. X-ray diffraction results show that doping generates an intrinsic uniaxial compressive stress along the [001] pc direction in the A B O3 lattices. Piezoelectric maps in the parameter space of temperature and Ti concentration in the PZT and doped system show a more significant enhancement effect of L i+-A l3 + codoping in tetragonal PZT than in the rhombohedral phase. Phenomenological thermodynamic analysis indicates that the compressive stress results in more serious flattening of the free-energy profile in tetragonal PZT, compared with that in the rhombohedral phase. The chemical stress obtained by this acceptor-donor codoping can be utilized to optimize the piezoelectric performance on the tetragonal-phase site of the morphotropic phase boundary in the PZT system. The present study provides a promising route to the large piezoelectric effect induced by chemical-stress-driven flattening of the free-energy profile.

Corrosion Properties of Cryorolled AA2219 Friction Stir Welded Joints Using Different Tool Pin Profiles

NASA Astrophysics Data System (ADS)

Kamal Babu, K.; Panneerselvam, K.; Sathiya, P.; Noorul Haq, A.; Sundarrajan, S.; Mastanaiah, P.; Srinivasa Murthy, C. V.

The purpose of this paper is to present the corrosion behavior of the Cryorolled (CR) material and its Friction Stir Welded joints. Due to the thermal cycles of Friction Stir Welding (FSW) process, the corrosion behavior of the material gets affected. Here, the cryorolling process was carried out on AA2219 alloy and CR material was joined by FSW process using four different pin tool profiles such as cylindrical, threaded cylindrical, square and hexagonal pin. The FSW joints were analyzed by corrosion resistance with the help of potentiodynamic polarization test with 3.5% NaCl solution. From the analysis, it is found that CR AA2219 material exhibits good corrosion resistance compared to the base AA2219 material, and also a hexagonal pin profile FSW joint exhibits high corrosion resistance. Among the weld joints created by four different tools, the lowest corrosion resistance was found in the cylindrical pin tool FSW welds. Further, the corroded samples were investigated through metallurgical investigations like OM, Transmission Electron Microscopy (TEM), Energy-Dispersive X-ray Spectroscopy (EDX) and X-Ray Diffraction (XRD). It was found that the amount of dissolution of Al2Cu precipitate was present in the weld nugget. The amount of dissolution of Al2Cu precipitate is higher in the weld nugget produced by hexagonal pin tool. This is due to the enhancement of the corrosion resistance.

Comparative evaluation of humic substances in oral drug delivery

PubMed Central

Mirza, Mohd. Aamir; Ahmad, Niyaz; Agarwal, Suraj Prakash; Mahmood, Danish; Khalid Anwer, M.; Iqbal, Z.

2011-01-01

Major and biologically most explored components of natural organic matter (NOM) are humic acid (HA) and fulvic acid (FA). We have explored rock shilajit as a source of NOM. On the other hand carbamazepine (CBZ) is a well known anticonvulsant drug and has a limited accessibility to brain. Bioavailability and pharmacokinetic profiles of CBZ have been improved by complexation and different techniques also. Present study has assessed the comparative abilities of FA and HA as complexing agent for CBZ in order to enhance pharmacokinetic profile of CBZ and accessibility to the brain. These two complexing agents have been compared on various indices such as their abilities to cause complexation and enhance solubility, permeability and dissolution. The present study also compared pharmacodynamic and biochemical profiles after oral administration of complexes. With the help of various pharmaceutical techniques such as freeze drying, physical mixture, kneading and solvent evaporation, two molar ratios (1:1 and 1:2) were selected for complexation and evaluated for conformational analysis (molecular modeling). Complex formed was further characterized by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), mass spectroscopy and X-ray diffraction (XRD). Preclinical study on rodents with CBZ–HA and CBZ–FA has yielded appreciable results in terms of their anticonvulsant and antioxidants activities. However, CBZ–HA (1:2) demonstrated better result than any other complex. PMID:25755978

Phyllotactic arrangements of optical elements

NASA Astrophysics Data System (ADS)

Horacek, M.; Meluzin, P.; Kratky, S.; Matejka, M.; Kolarik, V.

2017-05-01

Phyllotaxy studies arrangements of biological entities, e.g. a placement of seeds in the flower head. Vogel (1979) presented a phyllotactic model based on series of seeds ordered along a primary spiral. This arrangement allows each seed to occupy the same area within a circular flower head. Recently, a similar arrangement of diffraction primitives forming a planar relief diffractive structure was presented. The planar relief structure was used for benchmarking and testing purposes of the electron beam writer patterning process. This contribution presents the analysis of local periods and azimuths of optical phyllotactic arrangements. Two kinds of network characteristic triangles are introduced. If the discussed planar structure has appropriate size and density, diffraction of the incoming light creates characteristic a phyllotactic diffraction pattern. Algorithms enabling the analysis of such behavior were developed and they were validated by fabricated samples of relief structures. Combined and higher diffraction orders are also analyzed. Different approaches enabling the creation of phyllotactic diffractive patterns are proposed. E-beam lithography is a flexible technology for various diffraction gratings origination. The e-beam patterning typically allows for the creation of optical diffraction gratings in the first diffraction order. Nevertheless, this technology enables also more complex grating to be prepared, e.g. blazed gratings and zero order gratings. Moreover, the mentioned kinds of gratings can be combined within one planar relief structure. The practical part of the presented work deals with the nano patterning of such structures by using two different types of the e-beam pattern generators.

Analysis of XFEL serial diffraction data from individual crystalline fibrils

DOE PAGES

Wojtas, David H.; Ayyer, Kartik; Liang, Mengning; ...

2017-10-20

Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. In conclusion, the advantages of this technique should allowmore » structural studies of fibrous systems in biology that are inaccessible using existing techniques.« less

Analysis of XFEL serial diffraction data from individual crystalline fibrils

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wojtas, David H.; Ayyer, Kartik; Liang, Mengning

Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. In conclusion, the advantages of this technique should allowmore » structural studies of fibrous systems in biology that are inaccessible using existing techniques.« less

Vector spherical quasi-Gaussian vortex beams

NASA Astrophysics Data System (ADS)

Mitri, F. G.

2014-02-01

Model equations for describing and efficiently computing the radiation profiles of tightly spherically focused higher-order electromagnetic beams of vortex nature are derived stemming from a vectorial analysis with the complex-source-point method. This solution, termed as a high-order quasi-Gaussian (qG) vortex beam, exactly satisfies the vector Helmholtz and Maxwell's equations. It is characterized by a nonzero integer degree and order (n,m), respectively, an arbitrary waist w0, a diffraction convergence length known as the Rayleigh range zR, and an azimuthal phase dependency in the form of a complex exponential corresponding to a vortex beam. An attractive feature of the high-order solution is the rigorous description of strongly focused (or strongly divergent) vortex wave fields without the need of either the higher-order corrections or the numerically intensive methods. Closed-form expressions and computational results illustrate the analysis and some properties of the high-order qG vortex beams based on the axial and transverse polarization schemes of the vector potentials with emphasis on the beam waist.

Desorption of oxygen from alloyed Ag/Pt(111)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jankowski, Maciej; Wormeester, Herbert, E-mail: h.wormeester@utwente.nl; Zandvliet, Harold J. W.

2014-06-21

We have investigated the interaction of oxygen with the Ag/Pt(111) surface alloy by thermal desorption spectroscopy (TDS). The surface alloy was formed during the deposition of sub-monolayer amounts of silver on Pt(111) at 800 K and subsequent cooling to 300 K. The low-temperature phase of the surface alloy is composed of nanometer-sized silver rich stripes, embedded within platinum-rich domains, which were characterized with spot profile analysis low energy electron diffraction. The TDS measurements show that oxygen adsorption is blocked on Ag sites: the saturation coverage of oxygen decreases with increasing Ag coverage. Also, the activation energy for desorption (E{sub des})more » decreases with Ag coverage. The analysis of the desorption spectra from clean Pt(111) shows a linear decay of E{sub des} with oxygen coverage, which indicates repulsive interactions between the adsorbed oxygen atoms. In contrast, adsorption on alloyed Ag/Pt(111) leads to an attractive interaction between adsorbed oxygen atoms.« less

Strain Profiling of Fatigue Crack Overload Effects Using Energy Dispersive X-Ray Diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Croft,M.; Zhong, Z.; Jisrawi, N.

In this paper, an assessment of commonly used assumptions associated with {Delta}K{sub eff} and their implications on FCG predictions in light of existing experimental and numerical data is presented. In particular, the following assumptions are examined: (1). {Delta}K{sub eff} fully describes cyclic stresses and strains at the crack-tip vicinity. (2). K{sub op} can be determined experimentally or numerically with certain accuracy. (3). Overload alters K{sub op} but not K{sub max} and associated s{sub max} at the crack-tip 'process zone'. (4). Contact of crack faces curtails the crack driving force in terms of {Delta}K{sub eff}. The analysis indicates that there ismore » insufficient support to justify the above assumptions. In contrary, the analysis demonstrates that a two-parameter fatigue crack driving force in terms of {Delta}K and K{sub max}, which accounts for both applied and the internal stresses should be used in FCG analyses and predictions.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jones, David R.; Morrow, Benjamin M.; Trujillo, Carl P.

Here, we present a series of experiments probing the martensitic α–ω (hexagonal close-packed to simple hexagonal) transition in titanium under shock-loading to peak stresses around 15 GPa. Gas-gun plate impact techniques were used to locate the α–ω transition stress with a laser-based velocimetry diagnostic. A change in the shock-wave profile at 10.1 GPa suggests the transition begins at this stress. A second experiment shock-loaded and then soft-recovered a similar titanium sample. We then analyzed this recovered material with electron-backscatter diffraction methods, revealing on average approximately 65% retained ω phase. Furthermore, based on careful analysis of the microstructure, we propose thatmore » the titanium never reached a full ω state, and that there was no observed phase-reversion from ω to α. Texture analysis suggests that any α titanium found in the recovered sample is the original α. The data show that both the α and ω phases are stable and can coexist even though the shock-wave presents as steady-state, at these stresses.« less

Publications - GMC 40 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 40 Publication Details Title: X-ray diffraction analysis of the Pan Am Hoodoo Lake #2; Pan Am , X-ray diffraction analysis of the Pan Am Hoodoo Lake #2; Pan Am David River #1-A; and the AMOCO

The Gaussian beam mode analysis of classical phase aberrations in diffraction-limited optical systems

NASA Astrophysics Data System (ADS)

Trappe, Neil; Murphy, J. Anthony; Withington, Stafford

2003-07-01

Gaussian beam mode analysis (GBMA) offers a more intuitive physical insight into how light beams evolve as they propagate than the conventional Fresnel diffraction integral approach. In this paper we illustrate that GBMA is a computationally efficient, alternative technique for tracing the evolution of a diffracting coherent beam. In previous papers we demonstrated the straightforward application of GBMA to the computation of the classical diffraction patterns associated with a range of standard apertures. In this paper we show how the GBMA technique can be expanded to investigate the effects of aberrations in the presence of diffraction by introducing the appropriate phase error term into the propagating quasi-optical beam. We compare our technique to the standard diffraction integral calculation for coma, astigmatism and spherical aberration, taking—for comparison—examples from the classic text 'Principles of Optics' by Born and Wolf. We show the advantages of GBMA for allowing the defocusing of an aberrated image to be evaluated quickly, which is particularly important and useful for probing the consequences of astigmatism and spherical aberration.

Continuous diffraction of molecules and disordered molecular crystals

PubMed Central

Yefanov, Oleksandr M.; Ayyer, Kartik; White, Thomas A.; Barty, Anton; Morgan, Andrew; Mariani, Valerio; Oberthuer, Dominik; Pande, Kanupriya

2017-01-01

The intensities of far-field diffraction patterns of orientationally aligned molecules obey Wilson statistics, whether those molecules are in isolation (giving rise to a continuous diffraction pattern) or arranged in a crystal (giving rise to Bragg peaks). Ensembles of molecules in several orientations, but uncorrelated in position, give rise to the incoherent sum of the diffraction from those objects, modifying the statistics in a similar way as crystal twinning modifies the distribution of Bragg intensities. This situation arises in the continuous diffraction of laser-aligned molecules or translationally disordered molecular crystals. This paper develops the analysis of the intensity statistics of such continuous diffraction to obtain parameters such as scaling, beam coherence and the number of contributing independent object orientations. When measured, continuous molecular diffraction is generally weak and accompanied by a background that far exceeds the strength of the signal. Instead of just relying upon the smallest measured intensities or their mean value to guide the subtraction of the background, it is shown how all measured values can be utilized to estimate the background, noise and signal, by employing a modified ‘noisy Wilson’ distribution that explicitly includes the background. Parameters relating to the background and signal quantities can be estimated from the moments of the measured intensities. The analysis method is demonstrated on previously published continuous diffraction data measured from crystals of photosystem II [Ayyer et al. (2016 ▸), Nature, 530, 202–206]. PMID:28808434

Multi-conjugated adaptive optics imaging of distant galaxies - a comparison of Gemini/GSAOI and VLT/HAWK-I data

NASA Astrophysics Data System (ADS)

Schirmer, Mischa; Garrel, Vincent; Sivo, Gaetano; Marin, Eduardo; Carrasco, Eleazar R.

2017-11-01

Multi-conjugated adaptive optics (MCAO) yield nearly diffraction-limited images at 2 μm wavelengths. Currently, Gemini Multi-Conjugate Adaptive Optics System (GeMS)/Gemini South Adaptive Optics Imager (GSAOI) at Gemini South is the only MCAO facility instrument at an 8-m telescope. Using real data, and for the first time, we investigate the gain in depth and signal-to-noise ratios (S/N) when MCAO is employed for Ks-band observations of distant galaxies. Our analysis is based on the Frontier Fields cluster MACS J0416.1-2403, observed with GeMS/GSAOI (near diffraction-limited) and compared against Very Large Telescope/HAWK-I (natural seeing) data. Using galaxy number counts, we show that the substantially increased thermal background and lower optical throughput of the MCAO unit are fully compensated for by the wavefront correction because the galaxy images can be measured in smaller apertures with less sky noise. We also performed a direct comparison of the S/N of sources detected in both data sets. For objects with intrinsic angular sizes corresponding to half the HAWK-I image seeing, the gain in S/N is 40 per cent. Even smaller objects experience a boost in S/N by up to a factor of 2.5 despite our suboptimal natural guide star configuration. The depth of the near diffraction limited images is more difficult to quantify than that of seeing limited images, due to a strong dependence on the intrinsic source profiles. Our results emphasize the importance of cooled MCAO systems for Ks-band observations with future, extremely large telescopes.

Laser beam shaping for studying thermally induced damage

NASA Astrophysics Data System (ADS)

Masina, Bathusile N.; Bodkin, Richard; Mwakikunga, Bonex; Forbes, Andrew

2011-10-01

This paper presents an implementation of a laser beam shaping system for both heating a diamond tool and measuring the resulting temperature optically. The influence the initial laser parameters have on the resultant temperature profiles is shown experimentally and theoretically. A CO2 laser beam was used as the source to raise the temperature of the diamond tool and the resultant temperature was measured by using the blackbody principle. We have successfully transformed a Gaussian beam profile into a flat-top beam profile by using a diffractive optical element as a phase element in conjunction with a Fourier transforming lens. In this paper, we have successfully demonstrated temperature profiles across the diamond tool surface using two laser beam profiles and two optical setups, thus allowing a study of temperature influences with and without thermal stress. The generation of such temperature profiles on the diamond tool in the laboratory is important in the study of changes that occur in diamond tools, particularly the reduced efficiency of such tools in applications where extreme heating due to friction is expected.

Small-Angle Scatter Measurement.

NASA Astrophysics Data System (ADS)

Wein, Steven Jay

The design, analysis, and performance of a small -angle scatterometer are presented. The effects of the diffraction background, geometrical aberrations and system scatter at the small-angles are separated. Graphs are provided that quantify their contribution. The far-field irradiance distributions of weakly truncated and untruncated Gaussian beams are compared. The envelope of diffraction ringing is shown to decrease proportionately with the level of truncation in the pupil. Spherical aberration and defocus are shown to have little effect on the higher-order diffraction rings of Gaussian apertures and as such will have a negligible effect on most scatter measurements. A method is presented for determining the scattered irradiance level for a given BRDF in relation to the peak irradiance of the point spread function. A method of Gaussian apodization is presented and tested that allows the level of diffraction ringing to become a design parameter. Upon sufficient reduction of the diffraction background, the scattered light from the scatterometers' primary mirror is seen to be the limiting component of the small-angle instrument profile. The scatterometer described was able to make a meaningful measurement close enough to the specular direction at 0.6328mum in order to observe the characteristic height and width of the scatter function. This allowed the rms roughness and autocorrelation length of the surface to be determined from the scatter data at this wavelength. The inferred rms roughness agreed well with an independent optical profilometer measurement of the surface. The BRDF of the samples were also measured at 10.6mum. The rms roughness inferred from this scatter data did not agree with the other measurements. The BRDF did not scale in accordance with the scaler diffraction theory of microrough surfaces. The scattering in the visible was dominated by the effects of surface roughness whereas the scattering in the far-infrared was apparently dominated by the effects of contaminants and surface defects. The model for the surface statistics is investigated. A K_0 (modified Bessel function) autocorrelation function is shown to predict the scattered light distribution of these samples much better than the conventional negative -exponential function. Additionally, a sampling theory is developed that addresses the negative-exponentially correlated output of lock-in amplifiers, detectors, and electronic circuits in general. It is shown that the optimum sampling rate is approximately one sample per time constant and at this rate the improvement in SNR is sqrt {N/2} where N is the number of measurements.

High Pressure X-Ray Diffraction Studies of Nanocrystalline Materials

NASA Technical Reports Server (NTRS)

Palosz, B.; Stel'makh, S.; Grzanka, E.; Gierlotka, S.; Palosz, W.

2004-01-01

Experimental evidence obtained for a variety of nanocrystalline materials suggest that the crystallographic structure of a very small size particle deviates from that in the bulk crystals. In this paper we show the effect of the surface of nanocrystals on their structure by the analysis of generation and distribution of macro- and micro-strains at high pressures and their dependence on the grain size in nanocrystalline powders of Sic. We studied the structure of Sic nanocrystals by in-situ high-pressure powder diffraction technique using synchrotron and neutron sources and hydrostatic or isostatic pressure conditions. The diffraction measurements were done in HASYLAB at DESY using a Diamond Anvil Cell (DAC) in the energy dispersive geometry in the diffraction vector range up to 3.5 - 4/A and under pressures up to 50 GPa at room temperature. In-situ high pressure neutron diffraction measurements were done at LANSCE in Los Alamos National Laboratory using the HIPD and HIPPO diffractometers with the Paris-Edinburgh and TAP-98 cells, respectively, in the diffraction vector range up to 26 Examination of the response of the material to external stresses requires nonstandard methodology of the materials characterization and description. Although every diffraction pattern contains a complete information on macro- and micro-strains, a high pressure experiment can reveal only those factors which contribute to the characteristic diffraction patterns of the crystalline phases present in the sample. The elastic properties of powders with the grain size from several nm to micrometers were examined using three methodologies: (l), the analysis of positions and widths of individual Bragg reflections (used for calculating macro- and micro-strains generated during densification) [I], (2). the analysis of the dependence of the experimental apparent lattice parameter, alp, on the diffraction vector Q [2], and (3), the atomic Pair Distribution Function (PDF) technique [3]. The results of our studies show, that Sic nanocrystals have the features of two phases, each with its distinct elastic properties. and under pressures up to 8 GPa.

[Preparation of coated tablets of glycyrrhetic acid-HP-beta-cyclodextrin tablets for colon-specific release].

PubMed

Cui, Qi-Hua; Cui, Jing-Hao; Zhang, Jin-Jin

2008-10-01

To prepare coated tablets of glycyrrhetinic acid and hydroxypropyl-beta-cyclodextrin (GTA-HP-beta-CYD) inclusion complex tablets for colon-specific release. In order to improve the solubility of GTA, the GTA-HP-beta-CYD inclusion complex was prepared by ultrasonic-lyophilization technique and its formation were characterized by X-ray powder diffraction profiles and infrared spectrometry. The effects of inclusion condition on the inclusion efficiency and stability coefficient of inclusion complex were investigated, respectively. After prepared GTA-HP-beta-CYD tablets by powder direct compression, the pH dependant polymer Eudragit III and/or mixed with Eudragit II were used for further coating materials in fluid-bed coater. The influences of coating weight on the GTA release in different pH conditions were evaluated to establish the method for prepering colon specific delivery tablets with pulsed release properties. The formation of inclusion complexes were proved by X-ray powder diffraction profile and phase solubility curve. The effect of pH value of solvent was played critical role on the preparation of GTA- HP-beta-CYD inclusion complex. And the inclusion efficiency of GTA was 9. 3% and the solubility was increased to 54. 6 times at optimized method. The Eudragit III coated GTA- HP-beta-CYD tablets with coating weight 10% and 16% were showed pH dependant colon specific release profiles with slow release rate. The release profile of tablets coated with the mixture of Eudragit II and Eudragit III (1:2) were indicated typical pH dependant colon specific and pulsed release properties while the coating weight was 17%. The preliminary method for preparation of colon specific release tablets containing glycyrrhetinic acid with improved solubility was established for further in vivo therapeutic experiment.

The Northwestern Atlantic Moroccan Margin From Deep Multichannel Seismic Reflection

NASA Astrophysics Data System (ADS)

Malod, J. A.; Réhault, J. P.; Sahabi, M.; Géli, L.; Matias, L.; Zitellini, N.; Sismar Group

The NW Atlantic Moroccan margin, a conjugate of the Nova Scotia margin, is one of the oldest passive margins of the world. Continental break up occurred in the early Jurassic and the deep margin is characterized by a large salt basin. The SISMAR cruise (9 April to 4 May 2001) acquired 3667 km of 360 channel seismic reflection profiles. In addition, refraction data were recorded by means of 48 OBH/OBS deployments. Simultaneously, some of the marine profiles were extended onshore with 16 portable seismic land stations. WNW-ESE profiles 4 and 5 off El Jadida show a good section of the margin. The crustal thinning in this region is fairly abrupt. These profiles image the crust above a strong seismic reflector at about 12 s.twt., interpreted as the Moho. The crust exhibits several different characteristics from the continent towards the ocean.: - highly diffractive with a thickness larger than 25 km beneath the shelf. - stratified at a deep level and topped by few "tilted blocks" with a diffractive acoustic facies and for which 2 hypotheses are proposed: either continental crust tilted during the rifting or large landslides of crustal and sedimentary material slid down later. Liassic evapor- ites are present but seem less thick than to the south. - layered with seaward dipping reflectors: this type of crust correlates with the magnetic anomaly S1 and corresponds to the continent-ocean transition. - diffractive with an oceanic character. Oceanwards, the crust becomes more typically oceanic, but shows internal reflectors that may be re- lated to compressional reactivation during the Tertiary attested by large scale inverted basins. Our results allow us to discuss the nature and location of the continent-ocean transition at a regional scale and the rifting to spreading evolution of the very ma- ture continental margin off El Jadida. This provide us with some constraints for the initial reconstruction between Africa, North America and Iberia. Moreover, these re- sults help to assess the geological hazards linked to the neotectonic activity within the Africa-Eurasia plate boundary. * SISMAR Group includes the authors and Amhrar M., Camurri F., Contrucci I., Diaz J., El Archi A., Gutscher M.A., Jaffal M., Klingelhöfer F., Legall B., Maillard A., Mehdi K., Mercier E., Moulin M., Olivet J.L., Ouajhain B., Perrot J., Rolet J., Ruellan E., Sibuet J.C., Zourarah B.

Solar Confocal interferometers for Sub-Picometer-Resolution Spectral Filters

NASA Technical Reports Server (NTRS)

Gary, G. Allen; Pietraszewski, Chris; West, Edward A.; Dines. Terence C.

2007-01-01

The confocal Fabry-Perot interferometer allows sub-picometer spectral resolution of Fraunhofer line profiles. Such high spectral resolution is needed to keep pace with the higher spatial resolution of the new set of large-aperture solar telescopes. The line-of-sight spatial resolution derived for line profile inversions would then track the improvements of the transverse spatial scale provided by the larger apertures. In particular, profile inversion allows improved velocity and magnetic field gradients to be determined independent of multiple line analysis using different energy levels and ions. The confocal interferometer's unique properties allow a simultaneous increase in both etendue and spectral power. The higher throughput for the interferometer provides significant decrease in the aperture, which is important in spaceflight considerations. We have constructed and tested two confocal interferometers. A slow-response thermal-controlled interferometer provides a stable system for laboratory investigation, while a piezoelectric interferometer provides a rapid response for solar observations. In this paper we provide design parameters, show construction details, and report on the laboratory test for these interferometers. The field of view versus aperture for confocal interferometers is compared with other types of spectral imaging filters. We propose a multiple etalon system for observing with these units using existing planar interferometers as pre-filters. The radiometry for these tests established that high spectral resolution profiles can be obtained with imaging confocal interferometers. These sub-picometer spectral data of the photosphere in both the visible and near-infrared can provide important height variation information. However, at the diffraction-limited spatial resolution of the telescope, the spectral data is photon starved due to the decreased spectral passband.

Syntheses, structures and luminescent properties of two novel Zn (II) coordination polymers

NASA Astrophysics Data System (ADS)

Huang, Ya-Ru; Gao, Ling-Ling; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping

2018-02-01

Two new coordination polymers, namely [Zn(TZMB)]n (1) and {[Zn(TZMB)](H2TZMB)]·(C2H5OH)0.5(H2O)2.5}n (2), (H2TZMB = 4,4‧-(1H-1,2,4-triazol-1-yl)methylene-bis(benzonic acid), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction analysis, elemental analysis (EA), IR spectrum analysis (IR), powder X-ray diffraction (PXRD), and thermogravimetric (TG) analysis. Single X-ray diffraction analysis reveals that complex 1 is a 3D 3,6-connected net with the point symbol of (6110.84)(63)2 and complex 2 is a 2D 3-connected net with the point symbol of (63). Furthermore, luminescent properties of complexes 1 and 2 were also investigated in detail.

Femtosecond laser-induced blazed periodic grooves on metals.

PubMed

Hwang, Taek Yong; Guo, Chunlei

2011-07-01

In this Letter, we generate laser-induced periodic surface structures (LIPSSs) on platinum following femtosecond laser pulse irradiation. For the first time to our knowledge, we study the morphological profile of LIPSSs over a broad incident angular range, and find that the morphological profile of LIPSSs depends significantly on the incident angle of the laser beam. We show that LIPSS grooves become more asymmetric at a larger incident angle, and the morphological profile of LIPSSs formed at an incident angle over 55° eventually resembles that of a blazed grating. Our study suggests that the formation of the blazed groove structures is attributed to the selective ablation of grooves through the asymmetric periodic surface heating following femtosecond pulse irradiation. The blazed grooves are useful for controlling the diffraction efficiency of LIPSSs.

Pound--Drever--Hall error signals for the length control of three-port grating coupled cavities

NASA Astrophysics Data System (ADS)

Britzger, Michael; Friedrich, Daniel; Kroker, Stefanie; Brückner, Frank; Burmeister, Oliver; Kley, Ernst-Bernhard; Tünnermann, Andreas; Danzmann, Karsten; Schnabel, Roman

2011-08-01

Gratings enable light coupling into an optical cavity without transmission through any substrate. This concept reduces light absorption and substrate heating and was suggested for light coupling into the arm cavities of future gravitational wave detectors. One particularly interesting approach is based on all-reflective gratings with low diffraction efficiencies and three diffraction orders (three ports). However, it was discovered that, generally, three-port grating coupled cavities show an asymmetric resonance profile that results in asymmetric and low quality Pound--Drever--Hall error signals for cavity length control. We experimentally demonstrate that this problem is solved by the detection of light at both reflection ports of the cavity and the postprocessing of the two demodulated electronic signals.

Slot-grating flat lens for telecom wavelengths.

PubMed

Pugh, Jonathan R; Stokes, Jamie L; Lopez-Garcia, Martin; Gan, Choon-How; Nash, Geoff R; Rarity, John G; Cryan, Martin J

2014-07-01

We present a stand-alone beam-focusing flat lens for use in the telecommunications wavelength range. Light incident on the back surface of the lens propagates through a subwavelength aperture and is heavily diffracted on exit and partially couples into a surface plasmon polariton and a surface wave propagating along the surface of the lens. Interference between the diffracted wave and re-emission from a grating patterned on the surface produces a highly collimated beam. We show for the first time a geometry at which a lens of this type can be used at telecommunication wavelengths (λ=1.55 μm) and identify the light coupling and re-emission mechanisms involved. Measured beam profile results at varying incident wavelengths show excellent agreement with Lumerical FDTD simulation results.

Surface holograms for sensing application

NASA Astrophysics Data System (ADS)

Zawadzka, M.; Naydenova, I.

2018-01-01

Surface gratings with periodicity of 2 μm and amplitude in the range of 175 and 240 nm were fabricated in a plasticized polyvinylchloride doped with a metalloporphyrin (ZnTPP), via a single laser pulse holographic ablation process. The effect of the laser pulse energy on the profiles of the fabricated surface structure was investigated. The sensing capabilities of the fabricated diffractive structures towards amines (triethylamine, diethylamine) and pyridine vapours were then explored; the holographic structures were exposed to the analyte vapours and changes in the intensity of the diffracted light were monitored in real time at 473 nm. It was demonstrated that surface structures, fabricated in a polymer doped with a metalloporphyrin which acts as analyte receptor, have a potential in sensing application.

A study of swing-curve physics in diffraction-based overlay

NASA Astrophysics Data System (ADS)

Bhattacharyya, Kaustuve; den Boef, Arie; Storms, Greet; van Heijst, Joost; Noot, Marc; An, Kevin; Park, Noh-Kyoung; Jeon, Se-Ra; Oh, Nang-Lyeom; McNamara, Elliott; van de Mast, Frank; Oh, SeungHwa; Lee, Seung Yoon; Hwang, Chan; Lee, Kuntack

2016-03-01

With the increase of process complexity in advanced nodes, the requirements of process robustness in overlay metrology continues to tighten. Especially with the introduction of newer materials in the film-stack along with typical stack variations (thickness, optical properties, profile asymmetry etc.), the signal formation physics in diffraction-based overlay (DBO) becomes an important aspect to apply in overlay metrology target and recipe selection. In order to address the signal formation physics, an effort is made towards studying the swing-curve phenomena through wavelength and polarizations on production stacks using simulations as well as experimental technique using DBO. The results provide a wealth of information on target and recipe selection for robustness. Details from simulation and measurements will be reported in this technical publication.

Behavior of grain boundary chemistry and precipitates upon thermal treatment of controlled purity alloy 690

NASA Astrophysics Data System (ADS)

Angeliu, Thomas M.; Was, Gary S.

1990-08-01

Grain boundary composition and carbide composition and structure were characterized for various microstructures of controlled purity alloy 690. Heat treatments produced varying degrees of grain boundary chromium depletion and precipitate distributions which were characterized via scanning transmission electron microscopy (STEM). Convergent beam electron diffraction revealed that the dominant carbide is M23C6, and energy dispersive X-ray analysis (EDAX) determined that the metallic content was about 90 at. pct chromium. A discontinuous precipitation reaction was observed and is attributed to a high degree of carbon supersaturation. Grain boundary composition measurements confirm that chromium depletion is controlled by volume diffusion of chromium to chromium-rich grain boundary carbides in the temperature range of 873 to 1073 K. Grain boundary chromium levels as low as 18.8 at. pct were obtained by thermal treatment at 873 K for 250 hours and 973 K for 1 hour. A thermodynamic and kinetic model developed for alloy 600 was modified to describe the development of the chromium depletion profile in alloy 690 during thermal treatment. Experimentally measured chromium profiles agree well with the model results for the dependence of the chromium depletion zone width and depth on various input parameters. The establishment of the model for alloy 690 allows the chromium depletion zone width and depth to be computed as a function of alloy composition, grain size, and temperature. The chromium depletion profiles and the precipitate structure and composition of controlled purity 690 are compared to those of controlled purity 600. A thermodynamic analysis of the carbide stability indicates that other factors, such as favorable orientation relationships, play an important role in controlling the precipitation of Cr23C6 in nickel-base alloys.

Rigorous diffraction analysis using geometrical theory of diffraction for future mask technology

NASA Astrophysics Data System (ADS)

Chua, Gek S.; Tay, Cho J.; Quan, Chenggen; Lin, Qunying

2004-05-01

Advanced lithographic techniques such as phase shift masks (PSM) and optical proximity correction (OPC) result in a more complex mask design and technology. In contrast to the binary masks, which have only transparent and nontransparent regions, phase shift masks also take into consideration transparent features with a different optical thickness and a modified phase of the transmitted light. PSM are well-known to show prominent diffraction effects, which cannot be described by the assumption of an infinitely thin mask (Kirchhoff approach) that is used in many commercial photolithography simulators. A correct prediction of sidelobe printability, process windows and linearity of OPC masks require the application of rigorous diffraction theory. The problem of aerial image intensity imbalance through focus with alternating Phase Shift Masks (altPSMs) is performed and compared between a time-domain finite-difference (TDFD) algorithm (TEMPEST) and Geometrical theory of diffraction (GTD). Using GTD, with the solution to the canonical problems, we obtained a relationship between the edge on the mask and the disturbance in image space. The main interest is to develop useful formulations that can be readily applied to solve rigorous diffraction for future mask technology. Analysis of rigorous diffraction effects for altPSMs using GTD approach will be discussed.

Characterization of dross and its recovery by sulphuric acid leaching

NASA Astrophysics Data System (ADS)

Rahmani, S. A.; Meidianto, A.; Amal, M. I.; Wismogroho, A. S.; Widayatno, W. B.

2018-03-01

This paper reports the characterization of dross from galvanizing process and its recovery using acidic leaching method. The diffraction profile of dross showed identical peaks with that of ZnO. The X-ray Fluorescence (XRF) analysis identified the content of following metals: Zn, Fe, Mn, Ga, Co, and W. The thermal behaviour examination revealed the existence of some volatiles within the initial sample. The acidic leaching at various concentrations of sulphuric acid was conducted to determine the optimum concentration for zinc recovery and the highest yield of zinc sulphate. It is concluded that the optimum concentration of H2SO4 for this kind of dross is 4 M with 71.9% yield of ZnSO4. The result of leaching process was confirmed by infrared spectrum, where various absorptions corresponding to SO4 2- and Zn-O bands were observed.

Variability of the resulting microdeformation field in the Zn1 - x V x Se crystals (0.01 ≤ x ≤ 0.10)

NASA Astrophysics Data System (ADS)

Maksimov, V. I.; Maksimova, E. N.; Surkova, T. P.

2018-01-01

A detailed neutronographic study of the bulk ZnSe crystals doped with vanadium up to the content commensurate with the solubility limit in a semiconductor matrix has been carried out for the first time at room temperature. The data that characterize nonuniformly-deformed states based on the cubic structural modification of the II-VI compounds are obtained. A simplified analysis of the broadening patterns of the diffraction profiles of main Bragg reflexes of the studied crystals shows that the resulting deformation covers macroscopic volumes, and the distribution of vanadium ions in the given cases may significantly deviate from the uniform distribution over volume. Relative to the initial cubic lattice, dominating trends towards symmetry changes preceding the phase stratification in the ZnSe crystals heavily doped with vanadium are revealed.

On the symmetry and crystal structures of Ba{sub 2}LaIrO{sub 6}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, W.T., E-mail: w.fu@chem.leidenuniv.n; Goetz, R.J.; IJdo, D.J.W.

2010-02-15

Accurate profile analysis of X-ray diffraction data was carried out to settle recent dispute on the symmetry and crystal structures of the double perovskite Ba{sub 2}LaIrO{sub 6}. Even through careful comparison of the full-width at half-maximum values, we found no evidence for Ba{sub 2}LaIrO{sub 6} adopting either monoclinic (I2/m) or mixed rhombohedral (R3-bar) and monoclinic (I2/m) structures at room temperature, becoming triclinic (I1-bar) at below about 200 K. The correct space group is just R3-bar at temperatures between 82 and 653 K. Furthermore, the R3-bar->Fm3-barm phase transition does occur in Ba{sub 2}LaIrO{sub 6}, but the transition temperature is found tomore » be much higher than the reported value. - Graphical abstract: Observed (crosses) and calculated (continuous line) profiles of Ba{sub 2}LaIrO{sub 6} at some selected temperature showing the region containing the basic (222), (321) and (400) reflections. Tick marks below indicate the positions of the allowed Bragg's reflections.« less

Facile preparation and characterization of pH sensitive Mt/CMC nanocomposite hydrogel beads for propranolol controlled release.

PubMed

Farhadnejad, Hassan; Mortazavi, Seyed Alireza; Erfan, Mohammad; Darbasizadeh, Behzad; Motasadizadeh, Hamidreza; Fatahi, Yousef

2018-05-01

The main aim of the present study was to design pH-sensitive nanocomposite hydrogel beads, based on carboxymethyl cellulose (CMC) and montmorillonite (Mt)-propranolol (PPN) nanohybrid, and evaluate whether the prepared nanocomposite beads could potentially be used as oral drug delivery systems. PPN-as a model drug-was intercalated into the interlayer space of Mt clay mineral via the ion exchange procedure. The resultant nanohybrid (Mt-PPN) was applied to fabricate nanocomposite hydrogel beads by association with carboxymethyl cellulose. The characterization of test samples was performed using different techniques: X-Ray Diffraction (XRD), IR spectroscopy (FT-IR), thermal gravity analysis (TGA), and scanning electron microscopy (SEM). The drug encapsulation efficiency was evaluated by UV-vis spectroscopy, and was found to be high for Mt/CMC beads. In vitro drug release test was performed in the simulated gastrointestinal conditions to evaluate the efficiency of Mt-PPN/CMC nanocomposite beads as a controlled-release drug carrier. The drug release profiles indicated that the Mt-PPN/CMC nanocomposite beads had high stability against stomach acid and a sustained- and controlled-release profile for PPN under the simulated intestinal conditions. Copyright © 2018 Elsevier B.V. All rights reserved.

Synthesis and characterization of canola oil-stearic acid-based trans-free structured lipids for possible margarine application.

PubMed

Lumor, Stephen E; Jones, Kerby C; Ashby, Rick; Strahan, Gary D; Kim, Byung Hee; Lee, Guan-Chiun; Shaw, Jei-Fu; Kays, Sandra E; Chang, Shu-Wei; Foglia, Thomas A; Akoh, Casimir C

2007-12-26

Incorporation of stearic acid into canola oil to produce trans-free structured lipid (SL) as a healthy alternative to partially hydrogenated fats for margarine formulation was investigated. Response surface methodology was used to study the effects of lipozyme RM IM from Rhizomucor miehei and Candida rugosa lipase isoform 1 (LIP1) and two acyl donors, stearic acid and ethyl stearate, on the incorporation. Lipozyme RM IM and ethyl stearate gave the best result. Gram quantities of SLs were synthesized using lipozyme RM IM, and the products were compared to SL made by chemical catalysis and fat from commercial margarines. After short-path distillation, the products were characterized by GC and RPHPLC-MS to obtain fatty acid and triacylglycerol profiles, 13C NMR spectrometry for regiospecific analysis, X-ray diffraction for crystal forms, and DSC for melting profile. Stearic acid was incorporated into canola oil, mainly at the sn-1,3 positions, for the lipase reaction, and no new trans fatty acids formed. Most SL products did not have adequate solid fat content or beta' crystal forms for tub margarine, although these may be suitable for light margarine formulation.

Structured illumination multimodal 3D-resolved quantitative phase and fluorescence sub-diffraction microscopy

PubMed Central

Chowdhury, Shwetadwip; Eldridge, Will J.; Wax, Adam; Izatt, Joseph A.

2017-01-01

Sub-diffraction resolution imaging has played a pivotal role in biological research by visualizing key, but previously unresolvable, sub-cellular structures. Unfortunately, applications of far-field sub-diffraction resolution are currently divided between fluorescent and coherent-diffraction regimes, and a multimodal sub-diffraction technique that bridges this gap has not yet been demonstrated. Here we report that structured illumination (SI) allows multimodal sub-diffraction imaging of both coherent quantitative-phase (QP) and fluorescence. Due to SI’s conventionally fluorescent applications, we first demonstrate the principle of SI-enabled three-dimensional (3D) QP sub-diffraction imaging with calibration microspheres. Image analysis confirmed enhanced lateral and axial resolutions over diffraction-limited QP imaging, and established striking parallels between coherent SI and conventional optical diffraction tomography. We next introduce an optical system utilizing SI to achieve 3D sub-diffraction, multimodal QP/fluorescent visualization of A549 biological cells fluorescently tagged for F-actin. Our results suggest that SI has a unique utility in studying biological phenomena with significant molecular, biophysical, and biochemical components. PMID:28663887

Optimised Combined Angular and Energy Dispersive Diffraction at the PSICHE Beam Line of the SOLEIL Synchrotron for Fast, High Q-range Structure Determination at High Pressure and Temperature.

NASA Astrophysics Data System (ADS)

King, A.; Guignot, N.; Boulard, E.; Deslandes, J. P.; Clark, A. N.; Morard, G.; Itié, J. P.

2017-12-01

Synchrotron diffraction is an ideal technique for investigating materials at high pressure and temperature, because the penetrating nature of high-energy X-rays allows measurements to be made inside pressure cells or sample environments. Wang et al. described the CAESAR acquisition strategy, in which energy and angular dispersive techniques are combined to produce an instrument particularly suitable for quantitative measurements from samples inside high-pressure apparati [1]. The PSICHE beam line of the SOLEIL Synchrotron is equipped with such a CAESAR system. Uniquely, this system allows energy dispersive diffraction spectra to be acquired at scattering angles between -5 and +30 degrees two theta, while maintaining a sphere of confusion at the measurement position in the order of 10 microns. The slits used to define the scattering angle act as Soller slits and select the diffracted volume, separating the sample from its environment. By developing an optimised acquisition strategy we are able to obtain data covering a very wide Q range (to 160nm-1 or more), while minimising the total acquisition time (one hour per complete acquisition). In addition, the 2D nature (angle and energy) of the acquired dataset enables the effective incident spectrum to be efficiently determined with no addition measurements, in order to normalise the acquired data. The resulting profile of scattered intensity as a function of Q is suitable for Fourier transform analysis of liquid or amorphous structures. PSICHE is a multi technique beam line, with a part of the beam time dedicated to parallel beam absorption and phase contrast radiography and tomography [2]. Examples will be given to show how these techniques can be combined with diffraction techniques to greatly enrich studies of materials at extreme conditions. [1] Wang, Y., Uchida, T., Von Dreele, R., Rivers, M. L., Nishiyama, N., Funakoshi, K., Nozawa, A., and Keneko, H., J. Appl. Crystallogr. 37, 947 (2004). [2] King, A., Guignot, N., Zerbino, P., Boulard, E., Desjardins, K., Bourdessoule, M., Leclerq, N., Le, S., Renaud, G., Cerato, M., Bornert, M., Lenoir, N., Delzon, S., Perrillat, J.-P., Legodec, Y., Itié, J.-P. Rev. Sci. Instrum. 87, 093704 (2016).

USAXS analysis of concentration-dependent self-assembling of polymer-brush-modified nanoparticles in ionic liquid: [I] concentrated-brush regime

NASA Astrophysics Data System (ADS)

Nakanishi, Yohei; Ishige, Ryohei; Ogawa, Hiroki; Sakakibara, Keita; Ohno, Kohji; Morinaga, Takashi; Sato, Takaya; Kanaya, Toshiji; Tsujii, Yoshinobu

2018-03-01

Using ultra-small angle X-ray scattering (USAXS), we analyzed the higher-order structures of nanoparticles with a concentrated brush of an ionic liquid (IL)-type polymer (concentrated-polymer-brush-modified silica particle; PSiP) in an IL and the structure of the swollen shell layer of PSiP. Homogeneous mixtures of PSiP and IL were successfully prepared by the solvent-casting method involving the slow evaporation of a volatile solvent, which enabled a systematic study over an exceptionally wide range of compositions. Different diffraction patterns as a function of PSiP concentration were observed in the USAXS images of the mixtures. At suitably low PSiP concentrations, the USAXS intensity profile was analyzed using the Percus-Yevick model by matching the contrast between the shell layer and IL, and the swollen structure of the shell and "effective diameter" of the PSiP were evaluated. This result confirms that under sufficiently low pressures below and near the liquid/crystal-threshold concentration, the studied PSiP can be well described using the "hard sphere" model in colloidal science. Above the threshold concentration, the PSiP forms higher-order structures. The analysis of diffraction patterns revealed structural changes from disorder to random hexagonal-closed-packing and then face-centered-cubic as the PSiP concentration increased. These results are discussed in terms of thermodynamically stable "hard" and/or "semi-soft" colloidal crystals, wherein the swollen layer of the concentrated polymer brush and its structure play an important role.

Characterization of CVD micrometer-size diamond (abstract)

NASA Astrophysics Data System (ADS)

Ohsumi, K.; Hagiya, K.; Miyamoto, M.; Matsuda, J.; Ohmasa, M.

1989-07-01

In the field of material sciences, it has long been desired to develope the equipment to obtain crystallographic information of micrometer-size crystalline substances. Synchrotron radiation (SR) could be a candidate to deal with such a small specimen other than electron microscope. It seems more advantageous to utilize SR from the viewpoint that the processing of the diffraction data that has already been established for identification of the materials, structure analysis, and refinement. Even in the case of SR, special care should be taken for the measurement of very weak diffracted intensities. In the case not using SR, the size of 50 μm might be the limit for the specimen to be examined by the diffraction method. The diffracted intensity is proportional to the volume of the specimen, and that of micrometer-size crystal is estimated as 10-5 times of that of the limit mentioned above. The noise level of the experiment, therefore, should be as low as possible. If the noise level becomes negligibly small, the signal could be accumulated continually to the desired intensity level by adjusting measuring time. The experiment, for the purpose, should be carried out in vacuum with the stational crystal method and with very narrow collimated x-ray beams. The Laue method is employed by the above reason, as well as the fact that the intensity of each Bragg reflection on a reciprocal row passing through the origin of the reciprocal space is superposed with each other, which also intensifies a diffraction spot on the photographic plate. The Laue camera is set up at BL-4B of Photon Factory, sealed in vacuum and installed with a very narrow collimater. The development of the system has been performed to the level which several Bragg reflections of molybdenum single crystal with 0.8 μm in its diameter can be taken on the imaging plate for 50-min exposure with ring current from 128 to 125 mA. The origin of diamonds in meteorites has been a controversy as to whether they are formed from carbonaceous materials by impact shock or directly formed from vapor. Recent discovery of vapor-growth diamonds in carbonaceous chondrites has generated a renewed interest in the origin of ureilite diamonds. Two types of micrometer-size diamonds were prepared. One of them was grown under low pressure by chemical vapor deposition (CVD) from gaseous mixtures of H2 and CH4, and another was synthesized by shock effect (kindly offered by Nippon Oil & Fats Co., Ltd.) The micro-Laue method was applied to them in order to get information about their microstructures. Two characteristics are recognized in profiles of reflections themselves and in whole patterns of the Laue photographs. The reflections of CVD diamonds are elongated but symmetric in their profiles and are distributed regularly as they are indexed by the diamond lattice, while those of shock effect are also elongated and asymmetric, and are distributed at random as they cannot be indexed. The characteristics observed by the method may be useful to ascribe the origin to CVD or shock effect.

Arbitrary Control of Polarization and Intensity Profiles of Diffraction-Attenuation-Resistant Beams along the Propagation Direction

NASA Astrophysics Data System (ADS)

Corato-Zanarella, Mateus; Dorrah, Ahmed H.; Zamboni-Rached, Michel; Mojahedi, Mo

2018-02-01

We report on the theory and experimental generation of a class of diffraction-attenuation-resistant beams with state of polarization (SOP) and intensity that can be controlled on demand along the propagation direction. This control is achieved by a suitable superposition of Bessel beams, whose parameters are systematically chosen based on closed-form analytic expressions provided by the frozen waves method. Using an amplitude-only spatial light modulator, we experimentally demonstrate three scenarios. In the first, the SOP of a horizontally polarized beam evolves to radial polarization and is then changed to vertical polarization, with the beam intensity held constant. In the second, we simultaneously control the SOP and the longitudinal intensity profile, which is chosen such that the beam's central ring can be switched off over predefined space regions, thus generating multiple foci with different SOPs and at different intensity levels along the propagation. Finally, the ability to control the SOP while overcoming attenuation inside lossy fluids is shown experimentally. We envision our proposed method to be of great interest for many applications, such as optical tweezers, atom guiding, material processing, microscopy, and optical communications.

Crystallization and preliminary X-ray diffraction analysis of a chitin-binding domain of hyperthermophilic chitinase from Pyrococcus furiosus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakamura, Tsutomu; Ishikawa, Kazuhiko; Hagihara, Yoshihisa

The expression, purification and preliminary X-ray diffraction studies of a chitin-binding domain of the chitinase from P. furiosus are reported. The crystallization and preliminary X-ray diffraction analysis of the chitin-binding domain of chitinase from a hyperthermophilic archaeon, Pyrococcus furiosus, are reported. The recombinant protein was prepared using an Escherichia coli overexpression system and was crystallized by the hanging-drop vapour-diffusion method. An X-ray diffraction data set was collected to 1.70 Å resolution. The crystal belonged to space group P4{sub 3}2{sub 1}2 or P4{sub 1}2{sub 1}2. The unit-cell parameters were determined to be a = b = 48.8, c = 85.0 Å.

Diagnosis Applications of Non-Crystalline Diffraction of Collagen Fibres: Breast Cancer and Skin Diseases

NASA Astrophysics Data System (ADS)

Costa, M.; Benseny-Cases, N.; Cócera, M.; Teixeira, C. V.; Alsina, M.; Cladera, J.; López, O.; Fernández, M.; Sabés, M.

In previous chapters, the basis of SAXS for the study of biological systems like proteins in solution have been presented. The SAXS patterns of proteins in solution present, in general, broad dependences with the scattering vector, and the interpretation requires a huge component of modelling. In this chapter and in the following one, it is shown how SAXS technique can be used to study biological systems that are partially crystalline and with a large crystalline cells. This is done by analysing the diffraction obtained from these systems at small angles. In this chapter, a new approach to the application of small-angle X-ray scattering (SAXS) for diagnosis using the diffraction pattern of collagen is presented. This chapter shows the development of a new strategy in the preventive diagnosis of breast cancer following changes on collagen from breast connective tissue. SAXS profiles are related to different features in cutaneous preparations and to the supra-molecular arrangement of skin layers (stratum corneum, epidermis and dermis), in order to introduce objective values on the diagnosis of different skin pathologies. Working parameters (size, thickness) and methods (freezing, paraffin embedment) have been established. The results suggest that collagen diffraction patterns could be used as diagnostic indicators; especially for breast cancer and preliminary results obtained with skin collagen are promising too.

Development of a diffraction imaging flow cytometer

PubMed Central

Jacobs, Kenneth M.; Lu, Jun Q.

2013-01-01

Diffraction images record angle-resolved distribution of scattered light from a particle excited by coherent light and can correlate highly with the 3D morphology of a particle. We present a jet-in-fluid design of flow chamber for acquisition of clear diffraction images in a laminar flow. Diffraction images of polystyrene spheres of different diameters were acquired and found to correlate highly with the calculated ones based on the Mie theory. Fast Fourier transform analysis indicated that the measured images can be used to extract sphere diameter values. These results demonstrate the significant potentials of high-throughput diffraction imaging flow cytometry for extracting 3D morphological features of cells. PMID:19794790

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

PubMed

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.

Stratified Diffractive Optic Approach for Creating High Efficiency Gratings

NASA Technical Reports Server (NTRS)

Chambers, Diana M.; Nordin, Gregory P.

1998-01-01

Gratings with high efficiency in a single diffracted order can be realized with both volume holographic and diffractive optical elements. However, each method has limitations that restrict the applications in which they can be used. For example, high efficiency volume holographic gratings require an appropriate combination of thickness and permittivity modulation throughout the bulk of the material. Possible combinations of those two characteristics are limited by properties of currently available materials, thus restricting the range of applications for volume holographic gratings. Efficiency of a diffractive optic grating is dependent on its approximation of an ideal analog profile using discrete features. The size of constituent features and, consequently, the number that can be used within a required grating period restricts the applications in which diffractive optic gratings can be used. These limitations imply that there are applications which cannot be addressed by either technology. In this paper we propose to address a number of applications in this category with a new method of creating high efficiency gratings which we call stratified diffractive optic gratings. In this approach diffractive optic techniques are used to create an optical structure that emulates volume grating behavior. To illustrate the stratified diffractive optic grating concept we consider a specific application, a scanner for a space-based coherent wind lidar, with requirements that would be difficult to meet by either volume holographic or diffractive optic methods. The lidar instrument design specifies a transmissive scanner element with the input beam normally incident and the exiting beam deflected at a fixed angle from the optical axis. The element will be rotated about the optical axis to produce a conical scan pattern. The wavelength of the incident beam is 2.06 microns and the required deflection angle is 30 degrees, implying a grating period of approximately 4 microns. Creating a high efficiency volume grating with these parameters would require a grating thickness that cannot be attained with current photosensitive materials. For a diffractive optic grating, the number of binary steps necessary to produce high efficiency combined with the grating period requires feature sizes and alignment tolerances that are also unattainable with current techniques. Rotation of the grating and integration into a space-based lidar system impose the additional requirements that it be insensitive to polarization orientation, that its mass be minimized and that it be able to withstand launch and space environments.

Individual analysis of inter and intragrain defects in electrically characterized polycrystalline silicon nanowire TFTs by multicomponent dark-field imaging based on nanobeam electron diffraction two-dimensional mapping

NASA Astrophysics Data System (ADS)

Asano, Takanori; Takaishi, Riichiro; Oda, Minoru; Sakuma, Kiwamu; Saitoh, Masumi; Tanaka, Hiroki

2018-04-01

We visualize the grain structures for individual nanosized thin film transistors (TFTs), which are electrically characterized, with an improved data processing technique for the dark-field image reconstruction of nanobeam electron diffraction maps. Our individual crystal analysis gives the one-to-one correspondence of TFTs with different grain boundary structures, such as random and coherent boundaries, to the characteristic degradations of ON-current and threshold voltage. Furthermore, the local crystalline uniformity inside a single grain is detected as the difference in diffraction intensity distribution.

Crystallization and X-ray diffraction analysis of a catalytic domain of hyperthermophilic chitinase from Pyrococcus furiosus

PubMed Central

Mine, Shouhei; Nakamura, Tsutomu; Hirata, Kunio; Ishikawa, Kazuhiko; Hagihara, Yoshihisa; Uegaki, Koichi

2006-01-01

The crystallization and preliminary X-ray diffraction analysis of a catalytic domain of chitinase (PF1233 gene) from the hyperthermophilic archaeon Pyrococcus furiosus is reported. The recombinant protein, prepared using an Escherichia coli expression system, was crystallized by the hanging-drop vapour-diffusion method. An X-ray diffraction data set was collected at the undulator beamline BL44XU at SPring-8 to a resolution of 1.50 Å. The crystals belong to space group P212121, with unit-cell parameters a = 90.0, b = 92.8, c = 107.2 Å. PMID:16880559

Fixture for supporting and aligning a sample to be analyzed in an x-ray diffraction apparatus

DOEpatents

Green, L.A.; Heck, J.L. Jr.

1985-04-23

A fixture is provided for supporting and aligning small samples of material on a goniometer for x-ray diffraction analysis. A sample-containing capillary is accurately positioned for rotation in the x-ray beam by selectively adjusting the fixture to position the capillary relative to the x and y axes thereof to prevent wobble and position the sample along the z axis or the axis of rotation. By employing the subject fixture relatively small samples of materials can be analyzed in an x-ray diffraction apparatus previously limited to the analysis of much larger samples.

Fixture for supporting and aligning a sample to be analyzed in an X-ray diffraction apparatus

DOEpatents

Green, Lanny A.; Heck, Jr., Joaquim L.

1987-01-01

A fixture is provided for supporting and aligning small samples of material on a goniometer for X-ray diffraction analysis. A sample-containing capillary is accurately positioned for rotation in the X-ray beam by selectively adjusting the fixture to position the capillary relative to the x and y axes thereof to prevent wobble and position the sample along the z axis or the axis of rotation. By employing the subject fixture relatively small samples of materials can be analyzed in an X-ray diffraction apparatus previously limited to the analysis of much larger samples.

Thin Film Research. Volume 1

DTIC Science & Technology

1985-05-30

Order (FECO) ......... 23 3. X -Ray Diffraction ............................... 26 4. Transmission Electron Microscopy (TEM) ............... 26 5...remained amorphous after bombardment, as evidenced by X - ray diffraction, and showed no other changes. 0 (2) For Sb203, the crystallite size was reduced...main effect on MgF2 was the reduction in crystallite size. The films were too thir. for meaningful x - ray diffraction analysis. Durability and

X-Ray Diffraction and the Discovery of the Structure of DNA

ERIC Educational Resources Information Center

Crouse, David T.

2007-01-01

A method is described for teaching the analysis of X-ray diffraction of DNA through a series of steps utilizing the original methods used by James Watson, Francis Crick, Maurice Wilkins and Rosalind Franklin. The X-ray diffraction pattern led to the conclusion of the basic helical structure of DNA and its dimensions while basic chemical principles…

Inflection point caustic problems and solutions for high-gain dual-shaped reflectors

NASA Technical Reports Server (NTRS)

Galindo-Israel, Victor; Veruttipong, Thavath; Imbriale, William; Rengarajan, Sembiam

1990-01-01

The singular nature of the uniform geometrical theory of diffraction (UTD) subreflector scattered field at the vicinity of the main reflector edge (for a high-gain antenna design) is investigated. It is shown that the singularity in the UTD edge-diffracted and slope-diffracted fields is due to the reflection distance parameter approaching infinity in the transition functions. While the geometrical optics (GO) and UTD edge-diffracted fields exhibit singularities of the same order, the edge slope-diffracted field singularity is more significant and is substantial for greater subreflector edge tapers. The diffraction analysis of such a subreflector in the vicinity of the main reflector edge has been carried out efficiently and accurately by a stationary phase evaluation of the phi-integral, whereas the theta-integral is carried out numerically. Computational results from UTD and physical optics (PO) analysis of a 34-m ground station dual-shaped reflector confirm the analytical formulations for both circularly symmetric and offset asymmetric subreflectors. It is concluded that the proposed PO(theta)GO(phi) technique can be used to study the spillover or noise temperature characteristics of a high-gain reflector antenna efficiently and accurately.

Image quality affected by diffraction of aperture structure arrangement in transparent active-matrix organic light-emitting diode displays.

PubMed

Tsai, Yu-Hsiang; Huang, Mao-Hsiu; Jeng, Wei-de; Huang, Ting-Wei; Lo, Kuo-Lung; Ou-Yang, Mang

2015-10-01

Transparent display is one of the main technologies in next-generation displays, especially for augmented reality applications. An aperture structure is attached on each display pixel to partition them into transparent and black regions. However, diffraction blurs caused by the aperture structure typically degrade the transparent image when the light from a background object passes through finite aperture window. In this paper, the diffraction effect of an active-matrix organic light-emitting diode display (AMOLED) is studied. Several aperture structures have been proposed and implemented. Based on theoretical analysis and simulation, the appropriate aperture structure will effectively reduce the blur. The analysis data are also consistent with the experimental results. Compared with the various transparent aperture structure on AMOLED, diffraction width (zero energy position of diffraction pattern) of the optimize aperture structure can be reduced 63% and 31% in the x and y directions in CASE 3. Associated with a lenticular lens on the aperture structure, the improvement could reach to 77% and 54% of diffraction width in the x and y directions. Modulation transfer function and practical images are provided to evaluate the improvement of image blurs.

An Inquiry-Based Project Focused on the X-Ray Powder Diffraction Analysis of Common Household Solids

ERIC Educational Resources Information Center

Hulien, Molly L.; Lekse, Jonathan W.; Rosmus, Kimberly A.; Devlin, Kasey P.; Glenn, Jennifer R.; Wisneski, Stephen D.; Wildfong, Peter; Lake, Charles H.; MacNeil, Joseph H.; Aitken, Jennifer A.

2015-01-01

While X-ray powder diffraction (XRPD) is a fundamental analytical technique used by solid-state laboratories across a breadth of disciplines, it is still underrepresented in most undergraduate curricula. In this work, we incorporate XRPD analysis into an inquiry-based project that requires students to identify the crystalline component(s) of…

Analysis of macromolecules, ligands and macromolecule-ligand complexes

DOEpatents

Von Dreele, Robert B [Los Alamos, NM

2008-12-23

A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline macromolecule and macromolecule-ligand complex and the refined structure of the macromolecule is used as an approximate model for a combined Rietveld and stereochemical restraint refinement of the macromolecule-ligand complex. A difference Fourier map is calculated and the ligand position and points of interaction between the atoms of the macromolecule and the atoms of the ligand can be deduced and visualized. A suitable polycrystalline sample of macromolecule-ligand complex can be produced by physically agitating a mixture of lyophilized macromolecule, ligand and a solvent.

Engineering the on-axis intensity of Bessel beam by a feedback tuning loop

NASA Astrophysics Data System (ADS)

Li, Runze; Yu, Xianghua; Yang, Yanlong; Peng, Tong; Yao, Baoli; Zhang, Chunmin; Ye, Tong

2018-02-01

The Bessel beam belongs to a typical class of non-diffractive optical fields that are characterized by their invariant focal profiles along the propagation direction. However, ideal Bessel beams only rigorously exist in theory; Bessel beams generated in the lab are quasi-Bessel beams with finite focal extensions and varying intensity profiles along the propagation axis. The ability to engineer the on-axis intensity profile to the desired shape is essential for many applications. Here we demonstrate an iterative optimization-based approach to engineering the on-axis intensity of Bessel beams. The genetic algorithm is used to demonstrate this approach. Starting with a traditional axicon phase mask, in the design process, the computed on-axis beam profile is fed into a feedback tuning loop of an iterative optimization process, which searches for an optimal radial phase distribution that can generate a generalized Bessel beam with the desired onaxis intensity profile. The experimental implementation involves a fine-tuning process that adjusts the originally targeted profile so that the optimization process can optimize the phase mask to yield an improved on-axis profile. Our proposed method has been demonstrated in engineering several zeroth-order Bessel beams with customized on-axis profiles. High accuracy and high energy throughput merit its use in many applications.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 absorptionmore » 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.« less

Quality Assessment of Urinary Stone Analysis: Results of a Multicenter Study of Laboratories in Europe

PubMed Central

Siener, Roswitha; Buchholz, Noor; Daudon, Michel; Hess, Bernhard; Knoll, Thomas; Osther, Palle J.; Reis-Santos, José; Sarica, Kemal; Traxer, Olivier; Trinchieri, Alberto

2016-01-01

After stone removal, accurate analysis of urinary stone composition is the most crucial laboratory diagnostic procedure for the treatment and recurrence prevention in the stone-forming patient. The most common techniques for routine analysis of stones are infrared spectroscopy, X-ray diffraction and chemical analysis. The aim of the present study was to assess the quality of urinary stone analysis of laboratories in Europe. Nine laboratories from eight European countries participated in six quality control surveys for urinary calculi analyses of the Reference Institute for Bioanalytics, Bonn, Germany, between 2010 and 2014. Each participant received the same blinded test samples for stone analysis. A total of 24 samples, comprising pure substances and mixtures of two or three components, were analysed. The evaluation of the quality of the laboratory in the present study was based on the attainment of 75% of the maximum total points, i.e. 99 points. The methods of stone analysis used were infrared spectroscopy (n = 7), chemical analysis (n = 1) and X-ray diffraction (n = 1). In the present study only 56% of the laboratories, four using infrared spectroscopy and one using X-ray diffraction, fulfilled the quality requirements. According to the current standard, chemical analysis is considered to be insufficient for stone analysis, whereas infrared spectroscopy or X-ray diffraction is mandatory. However, the poor results of infrared spectroscopy highlight the importance of equipment, reference spectra and qualification of the staff for an accurate analysis of stone composition. Regular quality control is essential in carrying out routine stone analysis. PMID:27248840

Quality Assessment of Urinary Stone Analysis: Results of a Multicenter Study of Laboratories in Europe.

PubMed

Siener, Roswitha; Buchholz, Noor; Daudon, Michel; Hess, Bernhard; Knoll, Thomas; Osther, Palle J; Reis-Santos, José; Sarica, Kemal; Traxer, Olivier; Trinchieri, Alberto

2016-01-01

After stone removal, accurate analysis of urinary stone composition is the most crucial laboratory diagnostic procedure for the treatment and recurrence prevention in the stone-forming patient. The most common techniques for routine analysis of stones are infrared spectroscopy, X-ray diffraction and chemical analysis. The aim of the present study was to assess the quality of urinary stone analysis of laboratories in Europe. Nine laboratories from eight European countries participated in six quality control surveys for urinary calculi analyses of the Reference Institute for Bioanalytics, Bonn, Germany, between 2010 and 2014. Each participant received the same blinded test samples for stone analysis. A total of 24 samples, comprising pure substances and mixtures of two or three components, were analysed. The evaluation of the quality of the laboratory in the present study was based on the attainment of 75% of the maximum total points, i.e. 99 points. The methods of stone analysis used were infrared spectroscopy (n = 7), chemical analysis (n = 1) and X-ray diffraction (n = 1). In the present study only 56% of the laboratories, four using infrared spectroscopy and one using X-ray diffraction, fulfilled the quality requirements. According to the current standard, chemical analysis is considered to be insufficient for stone analysis, whereas infrared spectroscopy or X-ray diffraction is mandatory. However, the poor results of infrared spectroscopy highlight the importance of equipment, reference spectra and qualification of the staff for an accurate analysis of stone composition. Regular quality control is essential in carrying out routine stone analysis.

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

DOE PAGES

Murray, Thomas D.; Lyubimov, Artem Y.; Ogata, Craig M.; ...

2015-08-11

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 necessarymore » 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. In addition, 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.« less

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murray, Thomas D.; Lyubimov, Artem Y.; Ogata, Craig M.

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 necessarymore » 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. In addition, 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.« less

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murray, Thomas D.; Lyubimov, Artem Y.; Ogata, Craig M.

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 (<2µl) 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 tomore » 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 (10–15µm) loaded into the chips yielded a complete, high-resolution (<1.6Å) 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.« less

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

PubMed Central

Murray, Thomas D.; Lyubimov, Artem Y.; Ogata, Craig M.; Vo, Huy; Uervirojnangkoorn, Monarin; Brunger, Axel T.; Berger, James M.

2015-01-01

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. PMID:26457423

Preliminary crystallographic analysis of ADP-glucose pyrophosphorylase from Agrobacterium tumefaciens

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cupp-Vickery, Jill R., E-mail: jvickery@uci.edu; Igarashi, Robert Y.; Meyer, Christopher R.

2005-03-01

Crystallization and X-ray diffraction methods for native A. tumefaciens ADP-glucose pyrophosphorylase and its selenomethionyl derivative are described. Two crystal forms are identified, both of which diffract to 2 Å.

Three-dimensional reconstruction for coherent diffraction patterns obtained by XFEL.

PubMed

Nakano, Miki; Miyashita, Osamu; Jonic, Slavica; Song, Changyong; Nam, Daewoong; Joti, Yasumasa; Tama, Florence

2017-07-01

The three-dimensional (3D) structural analysis of single particles using an X-ray free-electron laser (XFEL) is a new structural biology technique that enables observations of molecules that are difficult to crystallize, such as flexible biomolecular complexes and living tissue in the state close to physiological conditions. In order to restore the 3D structure from the diffraction patterns obtained by the XFEL, computational algorithms are necessary as the orientation of the incident beam with respect to the sample needs to be estimated. A program package for XFEL single-particle analysis based on the Xmipp software package, that is commonly used for image processing in 3D cryo-electron microscopy, has been developed. The reconstruction program has been tested using diffraction patterns of an aerosol nanoparticle obtained by tomographic coherent X-ray diffraction microscopy.

Digital Image Correlation of 2D X-ray Powder Diffraction Data for Lattice Strain Evaluation

PubMed Central

Zhang, Hongjia; Sui, Tan; Daisenberger, Dominik; Fong, Kai Soon

2018-01-01

High energy 2D X-ray powder diffraction experiments are widely used for lattice strain measurement. The 2D to 1D conversion of diffraction patterns is a necessary step used to prepare the data for full pattern refinement, but is inefficient when only peak centre position information is required for lattice strain evaluation. The multi-step conversion process is likely to lead to increased errors associated with the ‘caking’ (radial binning) or fitting procedures. A new method is proposed here that relies on direct Digital Image Correlation analysis of 2D X-ray powder diffraction patterns (XRD-DIC, for short). As an example of using XRD-DIC, residual strain values along the central line in a Mg AZ31B alloy bar after 3-point bending are calculated by using both XRD-DIC and the conventional ‘caking’ with fitting procedures. Comparison of the results for strain values in different azimuthal angles demonstrates excellent agreement between the two methods. The principal strains and directions are calculated using multiple direction strain data, leading to full in-plane strain evaluation. It is therefore concluded that XRD-DIC provides a reliable and robust method for strain evaluation from 2D powder diffraction data. The XRD-DIC approach simplifies the analysis process by skipping 2D to 1D conversion, and opens new possibilities for robust 2D powder diffraction data analysis for full in-plane strain evaluation. PMID:29543728

High-resolution neutron diffraction study of microstructural changes in nanocrystalline ball-milled niobium carbide NbC{sub 0.93}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balagurov, Anatoly M.; Bobrikov, Ivan A.; Bokuchava, Gizo D.

2015-11-15

High resolution neutron diffraction was applied for elucidating of the microstructural evolution of nanocrystalline niobium carbide NbC{sub 0.93} powders subjected to high-energy ball milling. The diffraction patterns were collected with the high resolution Fourier diffractometer HRFD by using the reverse time-of-flight (RTOF) mode of data acquisition. The traditional single diffraction line analysis, the Rietveld method and more advanced Whole Powder Pattern Modeling technique were applied for the data analysis. The comparison of these techniques was performed. It is established that short-time milling produces a non-uniform powder, in which two distinct fractions with differing microstructure can be identified. Part of themore » material is in fact milled efficiently, with a reduction in grain size, an increase in the quantity of defects, and a corresponding tendency to decarburize reaching a composition NbC{sub 0.80} after 15 h of milling. The rest of the powder is less efficiently processed and preserves its composition and lower defect content. Larger milling times should have homogenized the system by increasing the efficiently milled fraction, but the material is unable to reach a uniform and homogeneous state. It is definitely shown that RTOF neutron diffraction patterns can provide the very accurate data for microstructure analysis of nanocrystalline powders. - Highlights: • The NbC{sub 0.93} powder was processed by high-energy ball milling. • The microstrain and dislocation density increase with milling time increase. • The corresponding decrease in crystallite size with milling time was observed. • The material exhibits the presence of two fractions after ball milling. • The RTOF neutron diffraction data are suitable for accurate microstructure analysis.« less

Spatially resolved texture and microstructure evolution of additively manufactured and gas gun deformed 304L stainless steel investigated by neutron diffraction and electron backscatter diffraction

DOE PAGES

Takajo, Shigehiro; Brown, Donald William; Clausen, Bjorn; ...

2018-04-30

In this study, we report the characterization of a 304L stainless steel cylindrical projectile produced by additive manufacturing. The projectile was compressively deformed using a Taylor Anvil Gas Gun, leading to a huge strain gradient along the axis of the deformed cylinder. Spatially resolved neutron diffraction measurements on the HIgh Pressure Preferred Orientation time-of-flight diffractometer (HIPPO) and Spectrometer for Materials Research at Temperature and Stress diffractometer (SMARTS) beamlines at the Los Alamos Neutron Science CEnter (LANSCE) with Rietveld and single-peak analysis were used to quantitatively evaluate the volume fractions of the α, γ, and ε phases as well as residualmore » strain and texture. The texture of the γ phase is consistent with uniaxial compression, while the α texture can be explained by the Kurdjumov–Sachs relationship from the γ texture after deformation. This indicates that the material first deformed in the γ phase and subsequently transformed at larger strains. The ε phase was only found in volumes close to the undeformed material with a texture connected to the γ texture by the Shoji–Nishiyama orientation relationship. This allows us to conclude that the ε phase occurs as an intermediate phase at lower strain, and is superseded by the α phase when strain increases further. We found a proportionality between the root-mean-squared microstrain of the γ phase, dominated by the dislocation density, with the α volume fraction, consistent with strain-induced martensite α formation. In conclusion, knowledge of the sample volume with the ε phase from the neutron diffraction analysis allowed us to identify the ε phase by electron back scatter diffraction analysis, complementing the neutron diffraction analysis with characterization on the grain level.« less

Spatially resolved texture and microstructure evolution of additively manufactured and gas gun deformed 304L stainless steel investigated by neutron diffraction and electron backscatter diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takajo, Shigehiro; Brown, Donald William; Clausen, Bjorn

In this study, we report the characterization of a 304L stainless steel cylindrical projectile produced by additive manufacturing. The projectile was compressively deformed using a Taylor Anvil Gas Gun, leading to a huge strain gradient along the axis of the deformed cylinder. Spatially resolved neutron diffraction measurements on the HIgh Pressure Preferred Orientation time-of-flight diffractometer (HIPPO) and Spectrometer for Materials Research at Temperature and Stress diffractometer (SMARTS) beamlines at the Los Alamos Neutron Science CEnter (LANSCE) with Rietveld and single-peak analysis were used to quantitatively evaluate the volume fractions of the α, γ, and ε phases as well as residualmore » strain and texture. The texture of the γ phase is consistent with uniaxial compression, while the α texture can be explained by the Kurdjumov–Sachs relationship from the γ texture after deformation. This indicates that the material first deformed in the γ phase and subsequently transformed at larger strains. The ε phase was only found in volumes close to the undeformed material with a texture connected to the γ texture by the Shoji–Nishiyama orientation relationship. This allows us to conclude that the ε phase occurs as an intermediate phase at lower strain, and is superseded by the α phase when strain increases further. We found a proportionality between the root-mean-squared microstrain of the γ phase, dominated by the dislocation density, with the α volume fraction, consistent with strain-induced martensite α formation. In conclusion, knowledge of the sample volume with the ε phase from the neutron diffraction analysis allowed us to identify the ε phase by electron back scatter diffraction analysis, complementing the neutron diffraction analysis with characterization on the grain level.« less

Nicotinamide polymeric nanoemulsified systems: a quality-by-design case study for a sustained antimicrobial activity

PubMed Central

Zidan, Ahmed S; Ahmed, Osama AA; Aljaeid, Bader M

2016-01-01

Nicotinamide, the amide form of vitamin B3, was demonstrated to combat some of the antibiotic-resistant infections that are increasingly common around the world. The objective of this study was to thoroughly understand the formulation and process variabilities affecting the preparation of nicotinamide-loaded polymeric nanoemulsified particles. The quality target product profile and critical quality attributes of the proposed product were presented. Plackett–Burman screening design was employed to screen eight variables for their influences on the formulation’s critical characteristics. The formulations were prepared by an oil-in-water emulsification followed by solvent replacement. The prepared systems were characterized by entrapment capacity (EC), entrapment efficiency (EE), particle size, polydispersity index, zeta potential, transmission electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, powder X-ray diffraction, in vitro drug release, and their antibacterial activity against bacterial scrums. EC, EE, particle size, polydispersity index, zeta potential, and percentage release in 24 hours were found to be in the range of 33.5%–68.8%, 53.1%–67.1%, 43.3–243.3 nm, 0.08–0.28, 9.5–53.3 mV, and 5.8%–22.4%, respectively. One-way analysis of variance and Pareto charts revealed that the experimental loadings of 2-hydroxypropyl-β-cyclodextrin and Eudragit® S100 were the most significant for their effects on nicotinamide EC and EE. Moreover, the polymeric nanoemulsified particles demonstrated a sustained release profile for nicotinamide. The Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffraction demonstrated a significant interaction between the drug and 2-hydroxypropyl-β-cyclodextrin that might modulate the sustained release behavior. Furthermore, the formulations provided a sustained antibacterial activity that depended on nicotinamide-loading concentration, release rate, and incubation time. In conclusion, the study demonstrated the potential of polymeric nanoemulsified system to sustain the release and antibacterial activity of nicotinamide. PMID:27110111

Seismic velocities at the core-mantle boundary inferred from P waves diffracted around the core

NASA Astrophysics Data System (ADS)

Sylvander, Matthieu; Ponce, Bruno; Souriau, Annie

1997-05-01

The very base of the mantle is investigated with core-diffracted P-wave (P diff) travel times published by the International Seismological Centre (ISC) for the period 1964-1987. Apparent slownesses are computed for two-station profiles using a difference method. As the short-period P diff mostly sample a very thin layer above the core-mantle boundary (CMB), a good approximation of the true velocity structure at the CMB can be derived from the apparent slownesses. More than 27000 profiles are built, and this provides an unprecedented P diff sampling of the CMB. The overall slowness distribution has an average value of 4.62 s/deg, which corresponds to a velocity more than 4% lower than that of most mean radial models. An analysis of the residuals of absolute ISC P and P diff travel times is independently carried out and confirms this result. It also shows that the degree of heterogeneities is significantly higher at the CMB than in the lower mantle. A search for lateral velocity variations is then undertaken; a first large-scale investigation reveals the presence of coherent slowness anomalies of very large dimensions of the order of 3000 km at the CMB. A tomographic inversion is then performed, which confirms the existence of pronounced (±8-10%) lateral velocity variations and provides a reliable map of the heterogeneities in the northern hemisphere. The influence of heterogeneity in the overlying mantle, of noise in the data and of CMB topography is evaluated; it seemingly proves minor compared with the contribution of heterogeneities at the CMB. Our results support the rising idea of a thin, low-velocity laterally varying boundary layer at the base of the D″ layer. The two principal candidate interpretations are the occurrence of partial melting, or the presence of a chemically distinct layer, featuring infiltrated core material.

The lateritic profile of Balkouin, Burkina Faso: Geochemistry, mineralogy and genesis

NASA Astrophysics Data System (ADS)

Giorgis, Ilaria; Bonetto, Sabrina; Giustetto, Roberto; Lawane, Abdou; Pantet, Anne; Rossetti, Piergiorgio; Thomassin, Jean-Hugues; Vinai, Raffaele

2014-02-01

This study reports on the geochemical and mineralogical characterization of a lateritic profile cropping out in the Balkouin area, Central Burkina Faso, aimed at obtaining a better understanding of the processes responsible for the formation of the laterite itself and the constraints to its development. The lateritic profile rests on a Paleoproterozoic basement mostly composed of granodioritic rocks related to the Eburnean magmatic cycle passing upwards to saprolite and consists of four main composite horizons (bottom to top): kaolinite and clay-rich horizons, mottled laterite and iron-rich duricrust. In order to achieve such a goal, a multi-disciplinary analytical approach was adopted, which includes inductively coupled plasma (ICP) atomic emission and mass spectrometries (ICP-AES and ICP-MS respectively), X-ray powder diffraction (XRPD), scanning electron microscopy with energy dispersive spectrometry (SEM-EDS) and micro-Raman spectroscopy.

A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murray, Thomas D.; Johns Hopkins University School of Medicine, Baltimore, MD 21205; Lyubimov, Artem Y.

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 themore » 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.« less

Revealing small-scale diffracting discontinuities by an optimization inversion algorithm

NASA Astrophysics Data System (ADS)

Yu, Caixia; Zhao, Jingtao; Wang, Yanfei

2017-02-01

Small-scale diffracting geologic discontinuities play a significant role in studying carbonate reservoirs. The seismic responses of them are coded in diffracted/scattered waves. However, compared with reflections, the energy of these valuable diffractions is generally one or even two orders of magnitude weaker. This means that the information of diffractions is strongly masked by reflections in the seismic images. Detecting the small-scale cavities and tiny faults from the deep carbonate reservoirs, mainly over 6 km, poses an even bigger challenge to seismic diffractions, as the signals of seismic surveyed data are weak and have a low signal-to-noise ratio (SNR). After analyzing the mechanism of the Kirchhoff migration method, the residual of prestack diffractions located in the neighborhood of the first Fresnel aperture is found to remain in the image space. Therefore, a strategy for extracting diffractions in the image space is proposed and a regularized L 2-norm model with a smooth constraint to the local slopes is suggested for predicting reflections. According to the focusing conditions of residual diffractions in the image space, two approaches are provided for extracting diffractions. Diffraction extraction can be directly accomplished by subtracting the predicted reflections from seismic imaging data if the residual diffractions are focused. Otherwise, a diffraction velocity analysis will be performed for refocusing residual diffractions. Two synthetic examples and one field application demonstrate the feasibility and efficiency of the two proposed methods in detecting the small-scale geologic scatterers, tiny faults and cavities.

Quantitative locomotion study of freely swimming micro-organisms using laser diffraction.

PubMed

Magnes, Jenny; Susman, Kathleen; Eells, Rebecca

2012-10-25

Soil and aquatic microscopic organisms live and behave in a complex three-dimensional environment. Most studies of microscopic organism behavior, in contrast, have been conducted using microscope-based approaches, which limit the movement and behavior to a narrow, nearly two-dimensional focal field.(1) We present a novel analytical approach that provides real-time analysis of freely swimming C. elegans in a cuvette without dependence on microscope-based equipment. This approach consists of tracking the temporal periodicity of diffraction patterns generated by directing laser light through the cuvette. We measure oscillation frequencies for freely swimming nematodes. Analysis of the far-field diffraction patterns reveals clues about the waveforms of the nematodes. Diffraction is the process of light bending around an object. In this case light is diffracted by the organisms. The light waves interfere and can form a diffraction pattern. A far-field, or Fraunhofer, diffraction pattern is formed if the screen-to-object distance is much larger than the diffracting object. In this case, the diffraction pattern can be calculated (modeled) using a Fourier transform.(2) C. elegans are free-living soil-dwelling nematodes that navigate in three dimensions. They move both on a solid matrix like soil or agar in a sinusoidal locomotory pattern called crawling and in liquid in a different pattern called swimming.(3) The roles played by sensory information provided by mechanosensory, chemosensory, and thermosensory cells that govern plastic changes in locomotory patterns and switches in patterns are only beginning to be elucidated.(4) We describe an optical approach to measuring nematode locomotion in three dimensions that does not require a microscope and will enable us to begin to explore the complexities of nematode locomotion under different conditions.

Ionospheric irregularity characteristics from quasiperiodic structure in the radio wave scintillation

NASA Astrophysics Data System (ADS)

Chen, K. Y.; Su, S. Y.; Liu, C. H.; Basu, S.

2005-06-01

Quasiperiodic (QP) diffraction pattern in scintillation patches has been known to highly correlate with the edge structures of a plasma bubble (Franke et al., 1984). A new time-frequency analysis method of Hilbert-Huang transform (HHT) has been applied to analyze the scintillation data taken at Ascension Island to understand the characteristics of corresponding ionosphere irregularities. The HHT method enables us to extract the quasiperiodic diffraction signals embedded inside the scintillation data and to obtain the characteristics of such diffraction signals. The cross correlation of the two sets of diffraction signals received by two stations at each end of Ascension Island indicates that the density irregularity pattern that causes the diffraction pattern should have an eastward drift velocity of ˜130 m/s. The HHT analysis of the instantaneous frequency in the QP diffraction patterns also reveals some frequency shifts in their peak frequencies. For the QP diffraction pattern caused by the leading edge of the large density gradient at the east wall of a structured bubble, an ascending note in the peak frequency is observed, and for the trailing edge a descending note is observed. The linear change in the transient of the peak frequency in the QP diffraction pattern is consistent with the theory and the simulation result of Franke et al. Estimate of the slope in the transient frequency provides us the information that allows us to identify the locations of plasma walls, and the east-west scale of the irregularity can be estimated. In our case we obtain about 24 km in the east-west scale. Furthermore, the height location of density irregularities that cause the diffraction pattern is estimated to be between 310 and 330 km, that is, around the F peak during observation.

Design and fabrication of a metamaterial gradient index diffraction grating at infrared wavelengths.

PubMed

Tsai, Yu-Ju; Larouche, Stéphane; Tyler, Talmage; Lipworth, Guy; Jokerst, Nan M; Smith, David R

2011-11-21

We demonstrate the design, fabrication and characterization of an artificially structured, gradient index metamaterial with a linear index variation of Δn ~ 3.0. The linear gradient profile is repeated periodically to form the equivalent of a blazed grating, with the gradient occurring across a spatial distance of 61 μm. The grating, which operates at a wavelength of 10.6 μm, is composed of non-resonant, progressively modified "I-beam" metamaterial elements and approximates a linear phase shift gradient using 61 distinguishable phase levels. The grating structure consists of four layers of lithographically patterned metallic I-beam elements separated by dielectric layers of SiO(2). The index gradient is confirmed by comparing the measured magnitudes of the -1, 0 and +1 diffracted orders to those obtained from full wave simulations incorporating all material properties of the metals and dielectrics of the structures. The large index gradient has the potential to enable compact infrared diffractive and gradient index optics, as well as more exotic transformation optical media. © 2011 Optical Society of America

Off-plane x-ray reflection grating fabrication

NASA Astrophysics Data System (ADS)

Peterson, Thomas J.; DeRoo, Casey T.; Marlowe, Hannah; McEntaffer, Randall L.; Miles, Drew M.; Tutt, James H.; Schultz, Ted B.

2015-09-01

Off-plane X-ray diffraction gratings with precision groove profiles at the submicron scale will be used in next generation X-ray spectrometers. Such gratings will be used on a current NASA suborbital rocket mission, the Off-plane Grating Rocket Experiment (OGRE), and have application for future grating missions. The fabrication of these gratings does not come without challenges. High performance off-plane gratings must be fabricated with precise radial grating patterns, optically at surfaces, and specific facet angles. Such gratings can be made using a series of common micro-fabrication techniques. The resulting process is highly customizable, making it useful for a variety of different mission architectures. In this paper, we detail the fabrication method used to produce high performance off-plane gratings and report the results of a preliminary qualification test of a grating fabricated in this manner. The grating was tested in the off-plane `Littrow' configuration, for which the grating is most efficient for a given diffraction order, and found to achieve 42% relative efficiency in the blaze order with respect to all diffracted light.

Diffraction effects in mechanically chopped laser pulses

NASA Astrophysics Data System (ADS)

Gambhir, Samridhi; Singh, Mandip

2018-06-01

A mechanical beam chopper consists of a rotating disc of regularly spaced wide slits which allow light to pass through them. A continuous light beam, after passing through the rotating disc, is switched-on and switched-off periodically, and a series of optical pulses are produced. The intensity of each pulse is expected to rise and fall smoothly with time. However, a careful study has revealed that the edges of mechanically chopped laser light pulses consist of periodic intensity undulations which can be detected with a photo detector. In this paper, it is shown that the intensity undulations in mechanically chopped laser pulses are produced by diffraction of light from the rotating disc, and a detailed explanation is given of the intensity undulations in mechanically chopped laser pulses. An experiment presented in this paper provides an efficient method to capture a one dimensional diffraction profile of light from a straight sharp-edge in the time domain. In addition, the experiment accurately measures wavelengths of three different laser beams from the undulations in mechanically chopped laser light pulses.

Nanofabrication and characterization of a grating-based condenser for uniform illumination with hard X-rays.

PubMed

Liu, Jianpeng; Li, Xin; Chen, Shuo; Zhang, Sichao; Xie, Shanshan; Xu, Chen; Chen, Yifang; Deng, Biao; Mao, Chenwen

2017-05-01

In the development of full-field transmission X-ray microscopy for basic study in science and technology, a condenser capable of providing intense illumination with high uniformity and stability on tested specimens in order to achieve high-quality images is essential. The latest design of a square-shaped condenser based on diffractive gratings has demonstrated promising uniformity in illumination. This paper describes in more detail the development of such a beam shaper for hard X-rays at 10 keV with regard to its design, manufacture and optical characterization. The effect of the grating profile on the diffracted intensity has been theoretically predicted by numerical simulation using the finite-difference time-domain method. Based on this, the limitations of the grating-based condenser are discussed.

Fabrication and characterization of high-efficiency double-sided blazed x-ray optics.

PubMed

Mohacsi, Istvan; Vartiainen, Ismo; Guizar-Sicairos, Manuel; Karvinen, Petri; Guzenko, Vitaliy A; Müller, Elisabeth; Kewish, Cameron M; Somogyi, Andrea; David, Christian

2016-01-15

The focusing efficiency of conventional diffractive x-ray lenses is fundamentally limited due to their symmetric binary structures and the corresponding symmetry of their focusing and defocusing diffraction orders. Fresnel zone plates with asymmetric structure profiles can break this limitation; yet existing implementations compromise either on resolution, ease of use, or stability. We present a new way for the fabrication of such blazed lenses by patterning two complementary binary Fresnel zone plates on the front and back sides of the same membrane chip to provide a compact, inherently stable, single-chip device. The presented blazed double-sided zone plates with 200 nm smallest half-pitch provide up to 54.7% focusing efficiency at 6.2 keV, which is clearly beyond the value obtainable by their binary counterparts.

Simulation of Forward and Inverse X-ray Scattering From Shocked Materials

NASA Astrophysics Data System (ADS)

Barber, John; Marksteiner, Quinn; Barnes, Cris

2012-02-01

The next generation of high-intensity, coherent light sources should generate sufficient brilliance to perform in-situ coherent x-ray diffraction imaging (CXDI) of shocked materials. In this work, we present beginning-to-end simulations of this process. This includes the calculation of the partially-coherent intensity profiles of self-amplified stimulated emission (SASE) x-ray free electron lasers (XFELs), as well as the use of simulated, shocked molecular-dynamics-based samples to predict the evolution of the resulting diffraction patterns. In addition, we will explore the corresponding inverse problem by performing iterative phase retrieval to generate reconstructed images of the simulated sample. The development of these methods in the context of materials under extreme conditions should provide crucial insights into the design and capabilities of shocked in-situ imaging experiments.

Multiphase computer-generated holograms for full-color image generation

NASA Astrophysics Data System (ADS)

Choi, Kyong S.; Choi, Byong S.; Choi, Yoon S.; Kim, Sun I.; Kim, Jong Man; Kim, Nam; Gil, Sang K.

2002-06-01

Multi-phase and binary-phase computer-generated holograms were designed and demonstrated for full-color image generation. Optimize a phase profile of the hologram that achieves each color image, we employed a simulated annealing method. The design binary phase hologram had the diffraction efficiency of 33.23 percent and the reconstruction error of 0.367 X 10-2. And eight phase hologram had the diffraction efficiency of 67.92 percent and the reconstruction error of 0.273 X 10-2. The designed BPH was fabricated by micro photolithographic technique with a minimum pixel width of 5micrometers . And the it was reconstructed using by two Ar-ion lasers and a He-Ne laser. In addition, the color dispersion characteristic of the fabricate grating and scaling problem of the reconstructed image were discussed.

Constraints for proton structure fluctuations from exclusive scattering

NASA Astrophysics Data System (ADS)

Mäntysaari, H.; Schenke, B.

2017-08-01

We constrain the average density profile of the proton and the amount of event-by-event fluctuations by simultaneously calculating the coherent and incoherent exclusive diffractive vector meson production cross section in deep inelastic scattering. Working within the Color Glass Condensate picture, we find that the gluonic density of the proton must have large geometric fluctuations in order to describe the experimentally measured large incoherent cross section.

Amorphous and liquid samples structure and density measurements at high pressure - high temperature using diffraction and imaging techniques

NASA Astrophysics Data System (ADS)

Guignot, N.; King, A.; Clark, A. N.; Perrillat, J. P.; Boulard, E.; Morard, G.; Deslandes, J. P.; Itié, J. P.; Ritter, X.; Sanchez-Valle, C.

2016-12-01

Determination of the density and structure of liquids such as iron alloys, silicates and carbonates is a key to understand deep Earth structure and dynamics. X-ray diffraction provided by large synchrotron facilities gives excellent results as long as the signal scattered from the sample can be isolated from its environment. Different techniques already exist; we present here the implementation and the first results given by the combined angle- and energy-dispersive structural analysis and refinement (CAESAR) technique introduced by Wang et al. in 2004, that has never been used in this context. It has several advantages in the study of liquids: 1/ the standard energy-dispersive technique (EDX), fast and compatible with large multi-anvil presses frames, is used for fast analysis free of signal pollution from the sample environment 2/ some limitations of the EDX technique (homogeneity of the sample, low resolution) are irrelevant in the case of liquid signals, others (wrong intensities, escape peaks artifacts, background subtraction) are solved by the CAESAR technique 3/ high Q data (up to 15 A-1 and more) can be obtained in a few hours (usually less than 2). We present here the facilities available on the PSICHE beamline (SOLEIL synchrotron, France) and a few results obtained using a Paris-Edinburgh (PE) press and a 1200 tons load capacity multi-anvil press with a (100) DIA compression module. X-ray microtomography, used in conjunction with a PE press featuring rotating anvils (RotoPEc, Philippe et al., 2013) is also very effective, by simply measuring the 3D volume of glass or liquid spheres at HPHT, thus providing density. This can be done in conjunction with the CAESAR technique and we illustrate this point. Finally, absorption profiles can be obtained via imaging techniques, providing another independent way to measure the density of these materials. References Y. Wang et al., A new technique for angle-dispersive powder diffraction using an energy-dispersive setup and synchrotron radiation (2004), J. Appl. Cryst. (2004). 37, 947-956 J. Philippe, Y. Le Godec, F. Bergame et M. Morand, Patent INPI 11 62335 (2013)

Direct observation of antisite defects in LiCoPO4 cathode materials by annular dark- and bright-field electron microscopy.

PubMed

Truong, Quang Duc; Devaraju, Murukanahally Kempaiah; Tomai, Takaaki; Honma, Itaru

2013-10-23

LiCoPO4 cathode materials have been synthesized by a sol-gel route. X-ray diffraction analysis confirmed that LiCoPO4 was well-crystallized in an orthorhombic structure in the Pmna space group. From the high-resolution transmission electron microscopy (HR-TEM) image, the lattice fringes of {001} and {100} are well-resolved. The HR-TEM image and selected area electron diffraction pattern reveal the highly crystalline nature of LiCoPO4 having an ordered olivine structure. The atom-by-atom structure of LiCoPO4 olivine has been observed, for the first time, using high-angle annular dark-field (HAADF) and annual bright-field scanning transmission electron microscopy. We observed the bright contrast in Li columns in the HAADF images and strong contrast in the ABF images, directly indicating the antisite exchange defects in which Co atoms partly occupy the Li sites. The LiCoPO4 cathode materials delivered an initial discharge capacity of 117 mAh/g at a C/10 rate with moderate cyclic performance. The discharge profile of LiCoPO4 shows a plateau at 4.75 V, revealing its importance as a potentially high-voltage cathode. The direct visualization of atom-by-atom structure in this work represents important information for the understanding of the structure of the active cathode materials for Li-ion batteries.

Heat-Stable Dry Powder Oxytocin Formulations for Delivery by Oral Inhalation.

PubMed

Fabio, Karine; Curley, Kieran; Guarneri, Joseph; Adamo, Benoit; Laurenzi, Brendan; Grant, Marshall; Offord, Robin; Kraft, Kelly; Leone-Bay, Andrea

2015-12-01

In this work, heat stable dry powders of oxytocin (OT) suitable for delivery by oral inhalation were prepared. The OT dry powders were prepared by spray drying using excipients chosen to promote OT stability including trehalose, isoleucine, polyvinylpyrrolidone, citrate (sodium citrate and citric acid), and zinc salts (zinc chloride and zinc citrate). Characterization by laser diffraction indicated that the OT dry powders had a median particle size of 2 μm, making them suitable for delivery by inhalation. Aerodynamic performance upon discharge from proprietary dry powder inhalers was evaluated by Andersen cascade impaction (ACI) and in an anatomically correct airway (ACA) model, and confirmed that the powders had excellent aerodynamic performance, with respirable fractions up to 77% (ACI, 30 L/min). Physicochemical characterization demonstrated that the powders were amorphous (X-ray diffraction) with high glass transition temperature (modulated differential scanning calorimetry, MDSC), suggesting the potential for stabilization of the OT in a glassy amorphous matrix. OT assay and impurity profile were conducted by reverse phase HPLC and liquid chromatography-mass spectrometry (LC-MS) after storage up to 32 weeks at 40°C/75%RH. Analysis demonstrated that OT dry powders containing a mixture of citrate and zinc salts retained more than 90% of initial assay after 32 weeks storage and showed significant reduction in dimers and trisulfide formation (up to threefold reduction compared to control).

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Augustyniak, Bolesław, E-mail: bolek@mif.pg.gda.pl; Piotrowski, Leszek; Maciakowski, Paweł

2014-05-07

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

Formation of mixed-layer structures in smectites intercalated with tryptone

NASA Astrophysics Data System (ADS)

Block, K. A.; Trusiak, A.; Steiner, J. C.; Katz, A.; Gottlieb, P.; Alimova, A.

2012-12-01

Stable clay-protein complexes are fundamental to studies of the critical zone, terrestrial ecosystems, pharmacology, and industrial applications such as bioremediation. Two sets of montmorillonite clays were purified and made homoionic for Na and Mg. Mg-montmorillonite and Na-montmorillonite were mixed with tryptone (casein digest) in a 9:1 and 18:1 clay:tryptone ratio, resulting in the formation of reversible intercalated structures. X-ray diffraction analysis of the protein-clay complexes produced profiles consisting of two peaks associated with the smectite 001 reflection and a related tryptone-packet peak similar to that produced by a mixed layer clay structure. Shifts in the 002, 003, and 004 diffraction maxima are attributed to disorder caused by the interaction with the protein. Line broadening in the smectite-tryptone XRD spectra is interpreted to be the result of interlayer absorption. Adsorption produces coherent crystalline packets of regularly interbedded tryptone and smectite platelets. SEM images reveal clay platelets with upwardly rolled edges that tend toward cylindrical structures with the production of occasional tubes in the smaller platelet size range as noted for organic compound-kaolinite intercalation reported by Fenoll Hach-Ali and Weiss (1969). Reference: Fenoll Hach-Ali, P.F., Weiss, A., 1969. Estudio de la reaccion de caolinita y N-metilform- amida. Quimica LXV, 769-790. Scanning electron micrograph of tryptone-intercalated clay platelets exhibiting rolled edge structure.

Data processing software suite SITENNO for coherent X-ray diffraction imaging using the X-ray free-electron laser SACLA.

PubMed

Sekiguchi, Yuki; Oroguchi, Tomotaka; Takayama, Yuki; Nakasako, Masayoshi

2014-05-01

Coherent X-ray diffraction imaging is a promising technique for visualizing the structures of non-crystalline particles with dimensions of micrometers to sub-micrometers. Recently, X-ray free-electron laser sources have enabled efficient experiments in the `diffraction before destruction' scheme. Diffraction experiments have been conducted at SPring-8 Angstrom Compact free-electron LAser (SACLA) using the custom-made diffraction apparatus KOTOBUKI-1 and two multiport CCD detectors. In the experiments, ten thousands of single-shot diffraction patterns can be collected within several hours. Then, diffraction patterns with significant levels of intensity suitable for structural analysis must be found, direct-beam positions in diffraction patterns determined, diffraction patterns from the two CCD detectors merged, and phase-retrieval calculations for structural analyses performed. A software suite named SITENNO has been developed to semi-automatically apply the four-step processing to a huge number of diffraction data. Here, details of the algorithm used in the suite are described and the performance for approximately 9000 diffraction patterns collected from cuboid-shaped copper oxide particles reported. Using the SITENNO suite, it is possible to conduct experiments with data processing immediately after the data collection, and to characterize the size distribution and internal structures of the non-crystalline particles.

Data processing software suite SITENNO for coherent X-ray diffraction imaging using the X-ray free-electron laser SACLA

PubMed Central

Sekiguchi, Yuki; Oroguchi, Tomotaka; Takayama, Yuki; Nakasako, Masayoshi

2014-01-01

Coherent X-ray diffraction imaging is a promising technique for visualizing the structures of non-crystalline particles with dimensions of micrometers to sub-micrometers. Recently, X-ray free-electron laser sources have enabled efficient experiments in the ‘diffraction before destruction’ scheme. Diffraction experiments have been conducted at SPring-8 Angstrom Compact free-electron LAser (SACLA) using the custom-made diffraction apparatus KOTOBUKI-1 and two multiport CCD detectors. In the experiments, ten thousands of single-shot diffraction patterns can be collected within several hours. Then, diffraction patterns with significant levels of intensity suitable for structural analysis must be found, direct-beam positions in diffraction patterns determined, diffraction patterns from the two CCD detectors merged, and phase-retrieval calculations for structural analyses performed. A software suite named SITENNO has been developed to semi-automatically apply the four-step processing to a huge number of diffraction data. Here, details of the algorithm used in the suite are described and the performance for approximately 9000 diffraction patterns collected from cuboid-shaped copper oxide particles reported. Using the SITENNO suite, it is possible to conduct experiments with data processing immediately after the data collection, and to characterize the size distribution and internal structures of the non-crystalline particles. PMID:24763651

Resolving power of diffraction imaging with an objective: a numerical study.

PubMed

Wang, Wenjin; Liu, Jing; Lu, Jun Qing; Ding, Junhua; Hu, Xin-Hua

2017-05-01

Diffraction imaging in the far-field can detect 3D morphological features of an object for its coherent nature. We describe methods for accurate calculation and analysis of diffraction images of scatterers of single and double spheres by an imaging unit based on microscope objective at non-conjugate positions. A quantitative study of the calculated diffraction imaging in spectral domain has been performed to assess the resolving power of diffraction imaging. It has been shown numerically that with coherent illumination of 532 nm in wavelength the imaging unit can resolve single spheres of 2 μm or larger in diameters and double spheres separated by less than 300 nm between their centers.

Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data

PubMed Central

Barty, Anton; Kirian, Richard A.; Maia, Filipe R. N. C.; Hantke, Max; Yoon, Chun Hong; White, Thomas A.; Chapman, Henry

2014-01-01

The emerging technique of serial X-ray diffraction, in which diffraction data are collected from samples flowing across a pulsed X-ray source at repetition rates of 100 Hz or higher, has necessitated the development of new software in order to handle the large data volumes produced. Sorting of data according to different criteria and rapid filtering of events to retain only diffraction patterns of interest results in significant reductions in data volume, thereby simplifying subsequent data analysis and management tasks. Meanwhile the generation of reduced data in the form of virtual powder patterns, radial stacks, histograms and other meta data creates data set summaries for analysis and overall experiment evaluation. Rapid data reduction early in the analysis pipeline is proving to be an essential first step in serial imaging experiments, prompting the authors to make the tool described in this article available to the general community. Originally developed for experiments at X-ray free-electron lasers, the software is based on a modular facility-independent library to promote portability between different experiments and is available under version 3 or later of the GNU General Public License. PMID:24904246

Rigorous coupled wave analysis of acousto-optics with relativistic considerations.

PubMed

Xia, Guoqiang; Zheng, Weijian; Lei, Zhenggang; Zhang, Ruolan

2015-09-01

A relativistic analysis of acousto-optics is presented, and a rigorous coupled wave analysis is generalized for the diffraction of the acousto-optical effect. An acoustic wave generates a grating with temporally and spatially modulated permittivity, hindering direct applications of the rigorous coupled wave analysis for the acousto-optical effect. In a reference frame which moves with the acoustic wave, the grating is static, the medium moves, and the coupled wave equations for the static grating may be derived. Floquet's theorem is then applied to cast these equations into an eigenproblem. Using a Lorentz transformation, the electromagnetic fields in the grating region are transformed to the lab frame where the medium is at rest, and relativistic Doppler frequency shifts are introduced into various diffraction orders. In the lab frame, the boundary conditions are considered and the diffraction efficiencies of various orders are determined. This method is rigorous and general, and the plane waves in the resulting expansion satisfy the dispersion relation of the medium and are propagation modes. Properties of various Bragg diffractions are results, rather than preconditions, of this method. Simulations of an acousto-optical tunable filter made by paratellurite, TeO(2), are given as examples.

Macromolecular Topography Leaps into the Digital Age

NASA Technical Reports Server (NTRS)

Lovelace, J.; Bellamy, H.; Snell, E. H.; Borgstahl, G.

2003-01-01

A low-cost, real-time digital topography system is under development which will replace x-ray film and nuclear emulsion plates. The imaging system is based on an inexpensive surveillance camera that offers a 1000x1000 array of 8 im square pixels, anti-blooming circuitry, and very quick read out. Currently, the system directly converts x-rays to an image with no phosphor. The system is small and light and can be easily adapted to work with other crystallographic equipment. Preliminary images have been acquired of cubic insulin at the NSLS x26c beam line. NSLS x26c was configured for unfocused monochromatic radiation. Six reflections were collected with stills spaced from 0.002 to 0.001 degrees apart across the entire oscillation range that the reflections were in diffracting condition. All of the reflections were rotated to the vertical to reduce Lorentz and beam related effects. This particular CCD is designed for short exposure applications (much less than 1 sec) and so has a relatively high dark current leading to noisy raw images. The images are processed to remove background and other system noise with a multi-step approach including the use of wavelets, histogram, and mean window filtering. After processing, animations were constructed with the corresponding reflection profile to show the diffraction of the crystal volume vs. the oscillation angle as well as composite images showing the parts of the crystal with the strongest diffraction for each reflection. The final goal is to correlate features seen in reflection profiles captured with fine phi slicing to those seen in the topography images. With this development macromolecular topography finally comes into the digital age.

Lateral Downflows in Sunspot Penumbral Filaments and their Temporal Evolution

NASA Astrophysics Data System (ADS)

Esteban Pozuelo, S.; Bellot Rubio, L. R.; de la Cruz Rodríguez, J.

2015-04-01

We study the temporal evolution of downflows observed at the lateral edges of penumbral filaments in a sunspot located very close to the disk center. Our analysis is based on a sequence of nearly diffraction-limited scans of the Fe i 617.3 nm line taken with the CRisp Imaging Spectro-Polarimeter instrument at the Swedish 1 m Solar Telescope. We compute Dopplergrams from the observed intensity profiles using line bisectors and filter the resulting velocity maps for subsonic oscillations. Lateral downflows appear everywhere in the center-side penumbra as small, weak patches of redshifts next to or along the edges of blueshifted flow channels. These patches have an intermittent life and undergo mergings and fragmentations quite frequently. The lateral downflows move together with the hosting filaments and react to their shape variations, very much resembling the evolution of granular convection in the quiet Sun. There is a good relation between brightness and velocity in the center-side penumbra, with downflows being darker than upflows on average, which is again reminiscent of quiet Sun convection. These results point to the existence of overturning convection in sunspot penumbrae, with elongated cells forming filaments where the flow is upward but very inclined, and weak lateral downward flows. In general, the circular polarization profiles emerging from the lateral downflows do not show sign reversals, although sometimes we detect three-lobed profiles that are suggestive of opposite magnetic polarities in the pixel.

Hardness depth profile of lattice strained cemented carbide modified by high-energy boron ion implantation

NASA Astrophysics Data System (ADS)

Yoshida, Y.; Matsumura, A.; Higeta, K.; Inoue, T.; Shimizu, S.; Motonami, Y.; Sato, M.; Sadahiro, T.; Fujii, K.

1991-07-01

The hardness depth profiles of cemented carbides which were implanted with high-energy B + ions have been estimated using a dynamic microhardness tester. The B + implantations into (16% Co)-cemented WC alloys were carried out under conditions where the implantation energies were 1-3 MeV and the fluences 1 × 10 17-1 × 10 18ions/cm 2. The profiles show that the implanted layer becomes harder as fluences are chosen at higher values and there is a peak at a certain depth which depends on the implantation energy. In X-ray diffraction (XRD) studies of the implanted surface the broadened refraction peaks of only WC and Co are detected and the increments of lattice strain and of residual stress in the near-surface region are observed. It is supposed that the hardening effect should be induced by an increase in residual stress produced by lattice strain. The hardness depth profile in successive implantation of ions with different energies agrees with the compounded profile of each one of the implantations. It is concluded that the hardness depth profile can be controlled under adequate conditions of implantation.

The use of analytical surface tools in the fundamental study of wear. [atomic nature of wear

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1977-01-01

Various techniques and surface tools available for the study of the atomic nature of the wear of materials are reviewed These include chemical etching, x-ray diffraction, electron diffraction, scanning electron microscopy, low-energy electron diffraction, Auger emission spectroscopy analysis, electron spectroscopy for chemical analysis, field ion microscopy, and the atom probe. Properties of the surface and wear surface regions which affect wear, such as surface energy, crystal structure, crystallographic orientation, mode of dislocation behavior, and cohesive binding, are discussed. A number of mechanisms involved in the generation of wear particles are identified with the aid of the aforementioned tools.

Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.

2003-01-01

Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

Liquid contrabands classification based on energy dispersive X-ray diffraction and hybrid discriminant analysis

NASA Astrophysics Data System (ADS)

YangDai, Tianyi; Zhang, Li

2016-02-01

Energy dispersive X-ray diffraction (EDXRD) combined with hybrid discriminant analysis (HDA) has been utilized for classifying the liquid materials for the first time. The XRD spectra of 37 kinds of liquid contrabands and daily supplies were obtained using an EDXRD test bed facility. The unique spectra of different samples reveal XRD's capability to distinguish liquid contrabands from daily supplies. In order to create a system to detect liquid contrabands, the diffraction spectra were subjected to HDA which is the combination of principal components analysis (PCA) and linear discriminant analysis (LDA). Experiments based on the leave-one-out method demonstrate that HDA is a practical method with higher classification accuracy and lower noise sensitivity than the other methods in this application. The study shows the great capability and potential of the combination of XRD and HDA for liquid contrabands classification.

Femtosecond X-ray Diffraction From Two-Dimensional Protein Crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frank, Matthias; Carlson, David B.; Hunter, Mark

2014-02-28

Here we present femtosecond x-ray diffraction patterns from two-dimensional (2-D) protein crystals using an x-ray free electron laser (XFEL). To date it has not been possible to acquire x-ray diffraction from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permits a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy methodology at the Linac Coherent Light Source, we observed Bragg diffraction to better than 8.5 Å resolution for two different 2-D protein crystal samples that were maintained at room temperature. These proof-of-principle results show promisemore » 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.« less

Kinetic and geometric isotope effects originating from different adsorption potential energy surfaces: cyclohexane on Rh(111).

PubMed

Koitaya, Takanori; Shimizu, Sumera; Mukai, Kozo; Yoshimoto, Shinya; Yoshinobu, Jun

2012-06-07

Novel isotope effects were observed in desorption kinetics and adsorption geometry of cyclohexane on Rh(111) by the use of infrared reflection absorption spectroscopy, temperature programmed desorption, photoelectron spectroscopy, and spot-profile-analysis low energy electron diffraction. The desorption energy of deuterated cyclohexane (C(6)D(12)) is lower than that of C(6)H(12). In addition, the work function change by adsorbed C(6)D(12) is smaller than that by adsorbed C(6)H(12). These results indicate that C(6)D(12) has a shallower adsorption potential than C(6)H(12) (vertical geometric isotope effect). The lateral geometric isotope effect was also observed in the two-dimensional cyclohexane superstructures as a result of the different repulsive interaction between interfacial dipoles. The observed isotope effects should be ascribed to the quantum nature of hydrogen involved in the C-H···metal interaction.

Investigation of Carrageenan Aerogel Microparticles as a Potential Drug Carrier.

PubMed

Obaidat, Rana M; Alnaief, Mohammad; Mashaqbeh, Hadeia

2018-05-07

Carrageenan is an anionic polysaccharide offering many advantages to be used in drug delivery applications. These include availability, thermo-stability, low toxicity, and encapsulating properties. Combination of these properties with aerogel properties like large surface area and porosity make them an ideal candidate for drug adsorption and delivery applications. Emulsion-gelation technique was used to prepare carrageenan gel microparticles with supercritical CO 2 for drying and loading purposes. Ibuprofen has been selected as a model drug for drug loading inside. The prepared microparticles were characterized using particle size analysis, X-ray diffraction, differential scanning calorimetry, Fourier transform infrared spectroscopy, density measurements, surface area, and porosity measurements. Finally, dissolution was applied to the loaded preparations to test in vitro drug release. Ibuprofen was successfully loaded in the amorphous form inside the prepared microparticles with a significant enhancement in the drug release profile. In conclusion, prepared carrageenan aerogel microparticles showed an excellent potential for use as a drug carrier.

Physicochemical and mechanical properties of paracetamol cocrystal with 5-nitroisophthalic acid.

PubMed

Hiendrawan, Stevanus; Veriansyah, Bambang; Widjojokusumo, Edward; Soewandhi, Sundani Nurono; Wikarsa, Saleh; Tjandrawinata, Raymond R

2016-01-30

We report novel pharmaceutical cocrystal of a popular antipyretic drug paracetamol (PCA) with coformer 5-nitroisophhthalic acid (5NIP) to improve its tabletability. The cocrystal (PCA-5NIP at molar ratio of 1:1) was synthesized by solvent evaporation technique using methanol as solvent. The physicochemical properties of cocrystal were characterized by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), thermogravimetry analysis (TGA), fourier transform infrared spectroscopy (FTIR), hot stage polarized microscopy (HSPM) and scanning electron microscopy (SEM). Stability of the cocrystal was assessed by storing them at 40°C/75% RH for one month. Compared to PCA, the cocrystal displayed superior tableting performance. PCA-5NIP cocrystal showed a similar dissolution profile as compared to PCA and exhibited good stability. This study showed the utility of PCA-5NIP cocrystal for improving mechanical properties of PCA. Copyright © 2015 Elsevier B.V. All rights reserved.

Unified beam splitter of fused silica grating under the second Bragg incidence.

PubMed

Sun, Zhumei; Zhou, Changhe; Cao, Hongchao; Wu, Jun

2015-11-01

A unified design for a 1×2 beam splitter of dielectric rectangular transmission gratings under the second Bragg incidence is theoretically investigated for TE- and TM-polarized light. The empirical equations of the relative grating parameters (ratio of the absolute one to incidence wavelength) for this design are also obtained with the simplified modal method (SMM). The influences of polarization of incident light and relative grating parameters on the performance of the beam splitter are thoroughly studied based on the SMM and rigorous coupled-wave analysis. Two specific gratings are demonstrated with an even split and high diffraction efficiency (>94% for TE polarization and >97% for the TM counterpart). The unified profiles of the 1×2 beam splitter are independent from the incidence wavelength since the refractive index of fused silica is roughly a constant over a wide range of wavelengths, which should be promising for future applications.

Shear-Coupled Grain Growth and Texture Development in a Nanocrystalline Ni-Fe Alloy during Cold Rolling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Li; Ungár, Tamás; Toth, Laszlo S.

The evolution of texture, grain size, grain shape, dislocation and twin density has been determined by synchrotron X-ray diffraction and line profile analysis in a nanocrystalline Ni- Fe alloy after cold rolling along different directions related to the initial fiber and the long axis of grains. The texture evolution has been simulated by the Taylor-type relaxed constraints viscoplastic polycrystal model. The simulations were based on the activity of partial dislocations in correlation with the experimental results of dislocation density determination. The concept of stress-induced shear-coupling is supported and strengthened by both the texture simulations and the experimentally determined evolution ofmore » the microstructure parameters. Grain-growth and texture evolution are shown to proceed by the shear-coupling mechanism supported by dislocation activity as long as the grain size is not smaller than about 20 nm.« less

Lead-resistant Providencia alcalifaciens strain 2EA bioprecipitates Pb+2 as lead phosphate.

PubMed

Naik, M M; Khanolkar, D; Dubey, S K

2013-02-01

A lead-resistant bacteria isolated from soil contaminated with car battery waste were identified as Providencia alcalifaciens based on biochemical characteristics, FAME profile and 16S rRNA sequencing and designated as strain 2EA. It resists lead nitrate up to 0·0014 mol l(-1) by precipitating soluble lead as insoluble light brown solid. Scanning electron microscopy coupled with energy-dispersive X-ray spectrometric analysis (SEM-EDX) and X-ray diffraction spectroscopy (XRD) revealed extracellular light brown precipitate as lead orthophosphate mineral, that is, Pb(9) (PO(4))(6) catalysed by phosphatase enzyme. This lead-resistant bacterial strain also demonstrated tolerance to high levels of cadmium and mercury along with multiple antibiotic resistance. Providencia alcalifaciens strain 2EA could be used for bioremediation of lead-contaminated environmental sites, as it can efficiently precipitate lead as lead phosphate. © 2012 The Society for Applied Microbiology.

Structural and magnetic properties of ytterbium substituted spinel ferrites

NASA Astrophysics Data System (ADS)

Alonizan, Norah H.; Qindeel, Rabia

2018-06-01

Chemical co-precipitation route adopted to synthesize the magnetic materials. In the present work, iron is replaced by ytterbium ion in manganese-based spinel ferrites. The yield chemically represented by MnYb x Fe2- x O4 ( x = 0.00, 0.025, 0.05, 0.075, 0.10) and its structural, magnetic and electrical properties were observed. The cubic structure of spinel ferrites was confirmed by X-ray diffraction analysis. Spherically shaped grains were perceived in SEM pictures and size lessened with the growth of ytterbium concentration. SEM profile also shows little irregularity in spherical particles. The substitution of ytterbium (Yb) results in the enhancement of electrical resistivity. The resistivity was reduced with the gradual increase in temperature from 303 to 693 K. The trend of activation energy was found to be similar to that of room temperature resistivity. The coercivity of samples was raised with Yb-ion substitution while saturation magnetization and remanence reduced.

On focusing of a ring ripple on a Gaussian electromagnetic beam in a plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Misra, Shikha; Mishra, S. K.

In this communication the authors have investigated the focusing of a ring ripple on a Gaussian electromagnetic beam propagating in a plasma, considering each of the three kinds of basic nonlinearities, namely, ponderomotive, collisional, and relativistic. In this analysis, the electric field profile of the propagating beam is assumed to be composed of the radial electric field distribution of the Gaussian beam as well as that of the ring ripple; a paraxial like approach has been adopted to analyze the characteristics of the propagation. Thus, one considers a unique dielectric function for the beam propagation and a radial field sensitivemore » diffraction term, appropriate to the vicinity of the maximum of the irradiance distribution of the ring ripple. Further, the variation of the phase associated with the beam on account of the r independent terms in the eikonal has also been accounted for.« less

Invited Article: Refined analysis of synchrotron radiation for NIST's SURF III facility

NASA Astrophysics Data System (ADS)

Shirley, Eric L.; Furst, Mitchell; Arp, Uwe

2018-04-01

We have developed a new method for the exact calculation of synchrotron radiation for the National Institute of Standards and Technology Synchrotron Ultraviolet Radiation Facility, SURF III. Instead of using the Schwinger formula, which is only an approximation, we develop formulae based on Graf's addition theorem for Bessel functions and accurate asymptotic expansions for Hankel functions and Bessel functions. By measuring the radiation intensity profile at two distances from the storage ring, we also confirm an apparent vertical emittance that is consistent with the vertical betatron oscillations that are intentionally introduced to extend beam lifetime by spreading the electron beam spatially. Finally, we determine how much diffraction by beamline apertures enhances the spectral irradiance at an integrating sphere entrance port at the end station. This should eliminate small but treatable components of the uncertainty budget that one should consider when using SURF III or similar synchrotrons as standard, calculable sources of ultraviolet and other radiation.

Defect structure in electrodeposited nanocrystalline Ni layers with different Mo concentrations

NASA Astrophysics Data System (ADS)

Kapoor, Garima; Péter, László; Fekete, Éva; Gubicza, Jenő

2018-05-01

The effect of molybdenum (Mo) alloying on the lattice defect structure in electrodeposited nanocrystalline nickel (Ni) films was studied. The electrodeposited layers were prepared on copper substrate at room temperature, with a constant current density and pH value. The chemical composition of these layers was determined by EDS. In addition, X-ray diffraction line profile analysis was carried out to study the microstructural parameters such as the crystallite size, the dislocation density and the stacking fault probability. It was found that the higher Mo content yielded more than one order of magnitude larger dislocation density while the crystallite size was only slightly smaller. In addition, the twin boundary formation activity during deposition increased with increasing Mo concentration. The results obtained on electrodeposited layers were compared with previous research carried out on bulk nanocrystalline Ni-Mo materials with similar compositions but processed by severe plastic deformation.

Development of a New Aprepitant Liquisolid Formulation with the Aid of Artificial Neural Networks and Genetic Programming.

PubMed

Barmpalexis, Panagiotis; Grypioti, Agni; Eleftheriadis, Georgios K; Fatouros, Dimitris G

2018-02-01

In the present study, liquisolid formulations were developed for improving dissolution profile of aprepitant (APT) in a solid dosage form. Experimental studies were complemented with artificial neural networks and genetic programming. Specifically, the type and concentration of liquid vehicle was evaluated through saturation-solubility studies, while the effect of the amount of viscosity increasing agent (HPMC), the type of wetting (Soluplus® vs. PVP) and solubilizing (Poloxamer®407 vs. Kolliphor®ELP) agents, and the ratio of solid coating (microcrystalline cellulose) to carrier (colloidal silicon dioxide) were evaluated based on in vitro drug release studies. The optimum liquisolid formulation exhibited improved dissolution characteristics compared to the marketed product Emend®. X-ray diffraction (XRD), scanning electron microscopy (SEM) and a novel method combining particle size analysis by dynamic light scattering (DLS) and HPLC, revealed that the increase in dissolution rate of APT in the optimum liquisolid formulation was due to the formation of stable APT nanocrystals. Differential scanning calorimetry (DSC) and attenuated total reflection FTIR spectroscopy (ATR-FTIR) revealed the presence of intermolecular interactions between APT and liquisolid formulation excipients. Multilinear regression analysis (MLR), artificial neural networks (ANNs), and genetic programming (GP) were used to correlate several formulation variables with dissolution profile parameters (Y 15min and Y 30min ) using a full factorial experimental design. Results showed increased correlation efficacy for ANNs and GP (RMSE of 0.151 and 0.273, respectively) compared to MLR (RMSE = 0.413).

Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Stelmakh, S.; Gierlotka, S.; Weber, H.-P.; Proffen, T.; Palosz, W.

2002-01-01

The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

Thermal analysis, X-ray powder diffraction and electron microscopy data related with the production of 1:1 Caffeine:Glutaric Acid cocrystals.

PubMed

Duarte, Íris; Andrade, Rita; Pinto, João F; Temtem, Márcio

2016-09-01

The data presented in this article are related to the production of 1:1 Caffeine:Glutaric Acid cocrystals as part of the research article entitled "Green production of cocrystals using a new solvent-free approach by spray congealing" (Duarte et al., 2016) [1]. More specifically, here we present the thermal analysis and the X-ray powder diffraction data for pure Glutaric Acid, used as a raw material in [1]. We also include the X-ray powder diffraction and electron microscopy data obtained for the 1:1 Caffeine:Glutaric Acid cocrystal (form II) produced using the cooling crystallization method reported in "Operating Regions in Cooling Cocrystallization of Caffeine and Glutaric Acid in Acetonitrile" (Yu et al., 2010) [2]. Lastly, we show the X-ray powder diffraction data obtained for assessing the purity of the 1:1 Caffeine:Glutaric cocrystals produced in [1].

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

PubMed

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.

Application of holographic sub-wavelength diffraction gratings for monitoring of kinetics of bioprocesses

NASA Astrophysics Data System (ADS)

Tamulevičius, Tomas; Šeperys, Rimas; Andrulevičius, Mindaugas; Kopustinskas, Vitoldas; Meškinis, Šarūnas; Tamulevičius, Sigitas; Mikalayeva, Valeryia; Daugelavičius, Rimantas

2012-09-01

In this work we present a refractive index (RI) sensor based on a sub-wavelength holographic diffraction grating. The sensor chip was fabricated by dry etching of the finely spaced (d = 428 nm) diffraction grating in SiOx doped diamond like carbon (DLC) film. It is shown that employing a fabricated sensor chip, and using the proposed method of analysis of data, one can inspect kinetics of processes in liquids occurring in the vicinity of the grating surface. The method is based on the spectral composition analysis of polarized polychromatic light reflected from the sub-wavelength diffraction grating. The RI measurement system was tested with different model liquid analytes including 25 wt.%, 50 wt.% sugar water solutions, 10 °C, 50 °C distilled water, also Gram-positive bacteria Bacillus subtilis interaction with ion-permeable channels forming antibiotic gramicidin D and a murolytic enzyme lysozyme. Analysis of the data set of specular reflection spectra enabled us to follow the kinetics of the RI changes in the analyte with millisecond resolution. Detectable changes in the effective RI were not worse than Δn = 10-4.

Synthesis and Characterization of YVO4-Based Phosphor Doped with Eu3+ Ions for Display Devices

NASA Astrophysics Data System (ADS)

Thakur, Shashi; Gathania, Arvind K.

2015-10-01

YVO4:Eu nanophosphor has been synthesized by the sol-gel method. Samples were characterized by x-ray diffraction (XRD), energy-dispersive x-ray spectroscopy, Fourier-transform infrared spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, photoluminescence, and Raman spectroscopy. The XRD profile confirms the tetragonal phase of the Eu3+-doped YVO4 nanophosphor. The efficiency of the prepared phosphor was analyzed by means of its emission spectral profile. We also observed rich red emission from the prepared phosphor on excitation by an ultraviolet source. The calculated Commission International de l'Éclairage coordinates reveal excellent color purity efficiency. Such luminescent powder is useful as red phosphor in display device applications.

A uniform GTD analysis of the EM diffraction by a thin dielectric/ferrite half-plane and related configurations

NASA Technical Reports Server (NTRS)

Rojas, Roberto G.

1985-01-01

A uniform geometrical theory of diffraction (UTD) solution is developed for the problem of the diffraction by a thin dielectric/ferrite half plane when it is excited by a plane, cylindrical, or surface wave field. Both transverse electric and transverse magnetic cases are considered. The solution of this problem is synthesized from the solutions to the related problems of EM diffraction by configurations involving perfectly conducting electric and magnetic walls covered by a dielectric/ferrite half-plane of one half the thickness of the original half-plane.

Development and calibration of mirrors and gratings for the Soft X-ray materials science beamline at the Linac Coherent Light Source free-electron laser

DOE PAGES

Soufli, Regina; Fernandez-Perea, Monica; Baker, Sherry L.; ...

2012-04-18

This article discusses the development and calibration of the x-ray reflective and diffractive elements for the Soft X-ray Materials Science (SXR) beamline of the Linac Coherent Light Source (LCLS) free-electron laser (FEL), designed for operation in the 500 – 2000 eV region. The surface topography of three Si mirror substrates and two Si diffraction grating substrates was examined by atomic force microscopy (AFM) and optical profilometry. The figure of the mirror substrates was also verified via surface slope measurements with a long trace profiler. A boron carbide (B 4C) coating especially optimized for the LCLS FEL conditions was deposited onmore » all SXR mirrors and gratings. Coating thickness uniformity of 0.14 nm root mean square (rms) across clear apertures extending to 205 mm length was demonstrated for all elements, as required to preserve the coherent wavefront of the LCLS source. The reflective performance of the mirrors and the diffraction efficiency of the gratings were calibrated at beamline 6.3.2 at the Advanced Light Source synchrotron. To verify the integrity of the nanometer-scale grating structure, the grating topography was examined by AFM before and after coating. This is to our knowledge the first time B 4C-coated diffraction gratings are demonstrated for operation in the soft x-ray region.« less

Structure analysis of the single-domain Si(111)4 × 1-In surface by μ-probe Auger electron diffraction and μ-probe reflection high energy electron diffraction

NASA Astrophysics Data System (ADS)

Nakamura, N.; Anno, K.; Kono, S.

1991-10-01

A single-domain Si(111)4 × 1-In surface has been studied by μ-probe reflection high-energy electron diffraction (RHEED) to elucidate the symmetry of the 4 × 1 surface. Azimuthal diffraction patterns of In MNN Auger electron have been obtained by a μ-probe Auger electron diffraction (AED) apparatus from the single-domain Si(111)4 × 1-In surface. On the basis of information from scanning tunneling microscopy [J. Microsc. 152 (1988) 727] and under the assumption that the 4 × 1 surface is composed of In-overlayers, the μ-probe AED patterns were kinematically analyzed to reach a concrete model of indium arrangement.

Three-dimensional distribution of polymorphs and magnesium in a calcified underwater attachment system by diffraction tomography

PubMed Central

Leemreize, Hanna; Almer, Jonathan D.; Stock, Stuart R.; Birkedal, Henrik

2013-01-01

Biological materials display complicated three-dimensional hierarchical structures. Determining these structures is essential in understanding the link between material design and properties. Herein, we show how diffraction tomography can be used to determine the relative placement of the calcium carbonate polymorphs calcite and aragonite in the highly mineralized holdfast system of the bivalve Anomia simplex. In addition to high fidelity and non-destructive mapping of polymorphs, we use detailed analysis of X-ray diffraction peak positions in reconstructed powder diffraction data to determine the local degree of Mg substitution in the calcite phase. These data show how diffraction tomography can provide detailed multi-length scale information on complex materials in general and of biomineralized tissues in particular. PMID:23804437

Publications - GMC 42 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 42 Publication Details Title: X-ray diffraction clay mineralogy analysis of the J.W. Dalton #1 for more information. Bibliographic Reference Unknown, 1984, X-ray diffraction clay mineralogy

Deep eutectic solvent approach towards nickel/nickel nitride nanocomposites

DOE PAGES

Gage, Samuel H.; Ruddy, Daniel A.; Pylypenko, Svitlana; ...

2016-12-15

Nickel nitride is an attractive material for a broad range of applications including catalysis. However preparations and especially those targeting nanoscale particles remain a major challenge. Herein, we report a wet-chemical approach to produce nickel/nickel nitride nanocomposites using deep eutectic solvents. A choline chloride/urea deep eutectic solvent was used as a reaction medium to form gels containing nickel acetate tetrahydrate. Heat treatment of the gel in inert atmosphere forms nanoparticles embedded within a nitrogen-doped carbon matrix. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) were used to understand the decomposition profile of the precursors and to select pyrolysis temperatures locatedmore » in regions of thermal stability. X-ray diffraction (XRD) confirmed the presence of metallic nickel, whereas X-ray photoelectron spectroscopy (XPS) suggested the existence of a nickel nitride surface layer. According to transmission electron microscopy (TEM) analysis these mixed phase, possibly core-shell type nanoparticles, have very defined facets. Furthermore, these materials represent a unique opportunity to tune catalytic properties of nickel-based catalysts through control of their composition, surface structure, and morphology; in addition to employing potential benefits of a nitrogen-doped carbon support.« less

A liquid diffraction analysis of sarcoplasmic reticulum. I. Compositional variation.

PubMed Central

Brady, G W; Fein, D B; Harder, M E; Spehr, R; Meissner, G

1981-01-01

Intensities of x-ray scattering from a series of fragmented rabbit muscle sarcoplasmic reticulum (SR) samples have been measured over the range x = 0.05 to s = 0.25. By varying the relative concentrations of lipid and protein (chiefly the Mg++-dependent, Ca++- stimulated ATPase) in the membranes of this series, and by employing methods of analysis appropriate to the scattering from binary liquid mixtures, we have identified the separable contributions of protein and lipid, and the protein-lipid interaction contributions to the total scattering profiles. The shape of the protein term is consistent with scattering from a cylindrical ATPase particle 142 A in length and 35 A in diameter. These data imply that the dominant ATPase species is monomeric. The protein-lipid interaction term has been analyzed by a novel treatment based on a determination of the pair correlation function between the electrons of the protein molecule with the electrons of the lipid bilayer in terms of the asymmetry of the transbilayer disposition of the protein. Applied to our results, the analysis indicates a fully asymmetric disposition of ATPase, in which one end of the molecule is contiguous with either the lumenal or cytoplasmic surface of the bilayer. PMID:6111360

Insertion of Guest Molecules into a Mixed Ligand Metal-Organic Framework via Single-Crystal-to-Single Crystal Guest Exchange

DTIC Science & Technology

2014-07-01

powder x-ray diffraction (PXRD), thermogravimentric analysis (TGA), and Fourier transform infrared (FTIR). 15. SUBJECT TERMS Metal organic frame work...the inclusion by using a variety of analytical techniques, such as powder x-ray diffraction (PXRD), thermo-gravimetric analysis (TGA), Fourier...Characterizations Analysis of the MOF and the complexes with the MOF and the guest molecules was performed using an Agilent GC-MS (Model 6890N GC and Model 5973N

Predicting the Mobility and Burial of Underwater Unexploded Ordnance (UXO) Using the UXO Mobility Model (ESTCP) 200417

DTIC Science & Technology

2009-11-01

Abbreviations and Acronyms Acronym Definition ADCP Acoustic Doppler Current Profiler AGD Applications Guidance Document ARAMS Army Risk Assessment Modeling...Center iv NESDI Navy Environmental Sustainability Development to Integration NOS National Ocean Service NS Naval Station NWS Naval Weapons...Plan QAS Quality Assurance Specialist RAC Risk Assessment Code REF/DIF Refraction/Diffraction ROI Return on Investment SAJ Dr. Scott A. Jenkins

Properties of Chirped Grating Lenses in Optical Waveguides.

DTIC Science & Technology

1984-10-01

the design, the materials and the fabrication q process. In this report, we will summarize the research results obtained at UCSD on the fundamental...limitations of their performance in efficiency, angular field of view and F-number caused by diffraction, materials properties and fabrication techniques... material index, the grating groove pattern in both the transverse and the longitudinal direction and the profile of the grooves can all be varied, while in

Metasurface holograms reaching 80% efficiency.

PubMed

Zheng, Guoxing; Mühlenbernd, Holger; Kenney, Mitchell; Li, Guixin; Zentgraf, Thomas; Zhang, Shuang

2015-04-01

Surfaces covered by ultrathin plasmonic structures--so-called metasurfaces--have recently been shown to be capable of completely controlling the phase of light, representing a new paradigm for the design of innovative optical elements such as ultrathin flat lenses, directional couplers for surface plasmon polaritons and wave plate vortex beam generation. Among the various types of metasurfaces, geometric metasurfaces, which consist of an array of plasmonic nanorods with spatially varying orientations, have shown superior phase control due to the geometric nature of their phase profile. Metasurfaces have recently been used to make computer-generated holograms, but the hologram efficiency remained too low at visible wavelengths for practical purposes. Here, we report the design and realization of a geometric metasurface hologram reaching diffraction efficiencies of 80% at 825 nm and a broad bandwidth between 630 nm and 1,050 nm. The 16-level-phase computer-generated hologram demonstrated here combines the advantages of a geometric metasurface for the superior control of the phase profile and of reflectarrays for achieving high polarization conversion efficiency. Specifically, the design of the hologram integrates a ground metal plane with a geometric metasurface that enhances the conversion efficiency between the two circular polarization states, leading to high diffraction efficiency without complicating the fabrication process. Because of these advantages, our strategy could be viable for various practical holographic applications.

High spatial resolution with zoomable saw-tooth refractive lenses?

NASA Astrophysics Data System (ADS)

Jark, Werner

2011-09-01

Refractive x-ray lenses can be assembled from two opposing saw-tooth structures, when they are inclined with respect to each other and almost touch at one end. An incident plane wave will then traverse a varying number of triangular prisms, which direct the beam towards the optical axis and focus it. Optically speaking the plane wave traverses a parabolic lens profile, which is approximated by trapezoidal segments. The parabolic profile will focus ideally, when a lens can be discussed in the "thin lens" approximation. Now the saw-tooth refractive lens is found to be too "thick". The residual aberrations limit the focusing capability to just submicrometer focusing, significantly above the limit in diffraction limited focusing. It is shown that the aberrations can be removed by introducing a variation into the originally constant saw-tooth angle. After this modification the lens can be operated in the diffraction limited regime. Spot sizes even below 0.1 micrometer are then feasible. This performance in terms of spatial resolution is found to be limited to focusing to microspots and is not available, when the saw-tooth refractive lens is used in an imaging setup. In this case the spatial resolution deteriorates rapidly with increasing off axis distance of the object to be imaged.

Structure of gel phase DMPC determined by X-ray diffraction.

PubMed Central

Tristram-Nagle, Stephanie; Liu, Yufeng; Legleiter, Justin; Nagle, John F

2002-01-01

The structure of fully hydrated gel phase dimyristoylphosphatidylcholine lipid bilayers was obtained at 10 degrees C. Oriented lipid multilayers were used to obtain high signal-to-noise intensity data. The chain tilt angle and an estimate of the methylene electron density were obtained from wide angle reflections. The chain tilt angle is measured to be 32.3 +/- 0.6 degrees near full hydration, and it does not change as the sample is mildly dehydrated from a repeat spacing of D = 59.9 A to D = 56.5 A. Low angle diffraction peaks were obtained up to the tenth order for 17 samples with variable D and prepared by three different methods with different geometries. In addition to the usual Fourier reconstructions of the electron density profiles, model electron density profiles were fit to all the low angle data simultaneously while constraining the model to include the wide-angle data and the measured lipid volume. Results are obtained for area/lipid (A = 47.2 +/- 0.5 A(2)), the compressibility modulus (K(A) = 500 +/- 100 dyn/cm), various thicknesses, such as the hydrocarbon thickness (2D(C) = 30.3 +/- 0.2 A), and the head-to-head spacing (D(HH) = 40.1 +/- 0.1 A). PMID:12496100

Color characterization of coatings with diffraction pigments.

PubMed

Ferrero, A; Bernad, B; Campos, J; Perales, E; Velázquez, J L; Martínez-Verdú, F M

2016-10-01

Coatings with diffraction pigments present high iridescence, which needs to be characterized in order to describe their appearance. The spectral bidirectional reflectance distribution functions (BRDFs) of six coatings with SpectraFlair diffraction pigments were measured using the robot-arm-based goniospectrophotometer GEFE, designed and developed at CSIC. Principal component analysis has been applied to study the coatings of BRDF data. From data evaluation and based on theoretical considerations, we propose a relevant geometric factor to study the spectral reflectance and color gamut variation of coatings with diffraction pigments. At fixed values of this geometric factor, the spectral BRDF component due to diffraction is almost constant. Commercially available portable goniospectrophotometers, extensively used in several industries (automotive and others), should be provided with more aspecular measurement angles to characterize the complex reflectance of goniochromatic coatings based on diffraction pigments, but they would not require either more than one irradiation angle or additional out-of-plane geometries.

Complex amplitude reconstruction for dynamic beam quality M² factor measurement with self-referencing interferometer wavefront sensor.

PubMed

Du, Yongzhao; Fu, Yuqing; Zheng, Lixin

2016-12-20

A real-time complex amplitude reconstruction method for determining the dynamic beam quality M² factor based on a Mach-Zehnder self-referencing interferometer wavefront sensor is developed. By using the proposed complex amplitude reconstruction method, full characterization of the laser beam, including amplitude (intensity profile) and phase information, can be reconstructed from a single interference pattern with the Fourier fringe pattern analysis method in a one-shot measurement. With the reconstructed complex amplitude, the beam fields at any position z along its propagation direction can be obtained by first utilizing the diffraction integral theory. Then the beam quality M² factor of the dynamic beam is calculated according to the specified method of the Standard ISO11146. The feasibility of the proposed method is demonstrated with the theoretical analysis and experiment, including the static and dynamic beam process. The experimental method is simple, fast, and operates without movable parts and is allowed in order to investigate the laser beam in inaccessible conditions using existing methods.

Dacarbazine.

PubMed

Al-Badr, Abdullah A; Alodhaib, Mansour M

2016-01-01

Dacarbazine is a cell cycle nonspecific antineoplastic alkylating agent used in the treatment of metastatic malignant melanoma. This chapter contains the descriptions of the drug: nomenclature, formulae, chemical structure, elemental composition, and appearance. The uses and applications of dacarbazine and the methods that were used for its preparation are reported. The methods which were used for the physical characterization of the drug are ionization constant, solubility, X-ray powder diffraction pattern, crystal structure, melting point, and differential scanning calorimetry. The profile contains the spectra of the drug: ultraviolet spectrum, vibrational spectrum, nuclear magnetic resonance spectra, and mass spectrum. The compendial methods of analysis for dacarbazine include the United States Pharmacopeia methods, British Pharmacopeia methods, and International Pharmacopeia methods. Other reported methods that are used for the analysis of the drug are high-performance liquid chromatography, high-performance liquid chromatography-mass spectrometry, and polarography. Metabolism, pharmacokinetics, and stability studies on dacarbazine are also included. Reviews of some analytical methods and physicochemical properties of the drug as well as the most important enzymes that are involved in the prodrug activation are provided. Sixty-four references are listed at the end of this monograph. © 2016 Elsevier Inc. All rights reserved.

Immobilization of kojic acid in ZnAl-hydrotalcite like compounds

NASA Astrophysics Data System (ADS)

Ambrogi, Valeria; Perioli, Luana; Nocchetti, Morena; Latterini, Loredana; Pagano, Cinzia; Massetti, Elena; Rossi, Carlo

2012-01-01

Kojic acid (KOJ) is a melanin synthesis inhibitor widely used as skin lightening agent in topical preparations. Unfortunately it is easily susceptible to photo-oxidation, phenomenon responsible for chemical and organoleptic modifications. The aim of this work was the intercalation of KOJ in hydrotalcite-like compounds (HTlc) in order to stabilize KOJ and to reduce its photolability. Hydrotalcite containing Zn and Al (ZnAl-HTlc) was used as host to obtain the final compound ZnAl-HTlc-KOJ. The intercalation was carried out, after many attempts, by ionic exchange mechanism by means of the strong base EtO- in anhydrous ethanol/dimethylsulfoxide (DMSO) mixture as solvent in order to generate KOJ- anions. The final product was characterized by the X-ray powder diffraction (XRPD), FT-IR spectroscopy, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and elemental analysis. The intercalated compound was formulated in a siliconic water free self-emulsifying ointment and the in vitro release profile was evaluated. All samples (intercalation compound and its formulation) were submitted also to spectrophotometric assays in order to evaluate the matrix protective effect towards ultraviolet rays.

Plant-mediated synthesis of silver nanoparticles using parsley ( Petroselinum crispum) leaf extract: spectral analysis of the particles and antibacterial study

NASA Astrophysics Data System (ADS)

Roy, Kaushik; Sarkar, C. K.; Ghosh, C. K.

2015-12-01

Synthesis of nanomaterials may involve various routes including physical, chemical and biological approaches. Here, the biological green route was chosen to prepare silver nanoparticles from silver salts to avoid the requirement of costly instruments and involvement of hazardous chemicals as well. To make the process clean and green, leaf extract of parsley ( Petroselinum crispum) was used to synthesize Ag nanoparticles at room temperature. The formation of Ag-nanoparticles was monitored by UV-Vis spectroscopy. The presence of silver in the sample and its crystalline nature were verified by X-ray diffraction (XRD) analysis. The size distribution profile and particle size in the suspension were manipulated from dynamic light scattering (DLS) pattern. The shape, size and morphology of the biogenic nanoparticles were studied using high resolution transmission electron microscope (TEM). Fourier transform infra-red spectroscopy was used to detect the biomolecules responsible for reduction of silver ions. These biogenic Ag-nanoparticles showed appreciable antibacterial efficacy against three bacteria— Klebsiella pneumoniae, Escherichia coli and Staphylococcus aureus.

The α–ω phase transition in shock-loaded titanium

DOE PAGES

Jones, David R.; Morrow, Benjamin M.; Trujillo, Carl P.; ...

2017-07-28

Here, we present a series of experiments probing the martensitic α–ω (hexagonal close-packed to simple hexagonal) transition in titanium under shock-loading to peak stresses around 15 GPa. Gas-gun plate impact techniques were used to locate the α–ω transition stress with a laser-based velocimetry diagnostic. A change in the shock-wave profile at 10.1 GPa suggests the transition begins at this stress. A second experiment shock-loaded and then soft-recovered a similar titanium sample. We then analyzed this recovered material with electron-backscatter diffraction methods, revealing on average approximately 65% retained ω phase. Furthermore, based on careful analysis of the microstructure, we propose thatmore » the titanium never reached a full ω state, and that there was no observed phase-reversion from ω to α. Texture analysis suggests that any α titanium found in the recovered sample is the original α. The data show that both the α and ω phases are stable and can coexist even though the shock-wave presents as steady-state, at these stresses.« less

Host-guest interaction of ZnBDC-MOF + doxorubicin: A theoretical and experimental study

NASA Astrophysics Data System (ADS)

Vasconcelos, Iane B.; Wanderley, Kaline A.; Rodrigues, Nailton M.; da Costa, Nivan B.; Freire, Ricardo O.; Junior, Severino A.

2017-03-01

The incorporation of drugs in biodegradable polymeric particles is one of many processes that controllably and significantly increase their release and action. In this paper, we describe the synthesis and physicochemical characterization of ZnBDC-MOF + doxorubicin (DOXO@ZnBDC) and the system's effectiveness in the sustained release of the drug doxorubicin. An experimental and theoretical study is presented of the interaction between the [Zn(BDC)(H2O)2]n MOF and the drug doxorubicin (DOXO). The synthesis was characterized by elemental analysis and X-ray powder diffraction (XRPD). The experimental incorporation was accomplished and analyzed by Fourier transform infrared spectroscopy (FTIR), XRPD and UV-Vis (ultraviolet-visible) spectrophotometry. Based on an analysis of the doxorubicin release profile, our results suggest that the drug delivery system showed slower release than other systems under development. Studies of cytotoxicity by the MTT method showed good results for the system developed with antineoplastic doxorubicin, and together with the other results of this study, suggest the successful development of a MOF-based drug delivery system.

Non-destructive detection of cross-sectional strain and defect structure in an individual Ag five-fold twinned nanowire by 3D electron diffraction mapping.

PubMed

Fu, Xin; Yuan, Jun

2017-07-24

Coherent x-ray diffraction investigations on Ag five-fold twinned nanowires (FTNWs) have drawn controversial conclusions concerning whether the intrinsic 7.35° angular gap could be compensated homogeneously through phase transformation or inhomogeneously by forming disclination strain field. In those studies, the x-ray techniques only provided an ensemble average of the structural information from all the Ag nanowires. Here, using three-dimensional (3D) electron diffraction mapping approach, we non-destructively explore the cross-sectional strain and the related strain-relief defect structures of an individual Ag FTNW with diameter about 30 nm. The quantitative analysis of the fine structure of intensity distribution combining with kinematic electron diffraction simulation confirms that for such a Ag FTNW, the intrinsic 7.35° angular deficiency results in an inhomogeneous strain field within each single crystalline segment consistent with the disclination model of stress-relief. Moreover, the five crystalline segments are found to be strained differently. Modeling analysis in combination with system energy calculation further indicates that the elastic strain energy within some crystalline segments, could be partially relieved by the creation of stacking fault layers near the twin boundaries. Our study demonstrates that 3D electron diffraction mapping is a powerful tool for the cross-sectional strain analysis of complex 1D nanostructures.

Non-destructive Quantitative Phase Analysis and Microstructural Characterization of Zirconium Coated U-10Mo Fuel Foils via Neutron Diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cummins, Dustin Ray; Vogel, Sven C.; Hollis, Kendall Jon

2016-10-18

This report uses neutron diffraction to investigate the crystal phase composition of uranium-molybdenum alloy foils (U-10Mo) for the CONVERT MP-1 Reactor Conversion Project, and determines the effect on alpha-uranium contamination following the deposition of a Zr metal diffusion layer by various methods: plasma spray deposition of Zr powders at LANL and hot co-rolling with Zr foils at BWXT. In summary, there is minimal decomposition of the gamma phase U-10Mo foil to alpha phase contamination following both plasma spraying and hot co-rolling. The average unit cell volume, i.e. lattice spacing, of the Zr layer can be mathematically extracted from the diffractionmore » data; co-rolled Zr matches well with literature values of bulk Zr, while plasma sprayed Zr shows a slight increase in the lattice spacing, indicative of interstitial oxygen in the lattice. Neutron diffraction is a beneficial alternative to conventional methods of phase composition, i.e. x ray diffraction (XRD) and destructive metallography. XRD has minimal penetration depth in high atomic number materials, particularly uranium, and can only probe the first few microns of the fuel plate; neutrons pass completely through the foil, allowing for bulk analysis of the foil composition and no issues with addition of cladding layers, as in the final, aluminum-clad reactor fuel plates. Destructive metallography requires skilled technicians, cutting of the foil into small sections, hazardous etching conditions, long polishing and microscopy times, etc.; the neutron diffraction system has an automated sample loader and can fit larger foils, so there is minimal analysis preparation; the total spectrum acquisition time is ~ 1 hour per sample. The neutron diffraction results are limited by spectra refinement/calculation times and the availability of the neutron beam source. In the case of LANSCE at Los Alamos, the beam operates ~50% of the year. Following the lessons learned from these preliminary results, optimizations to the process and analysis can be made, and neutron diffraction can become a viable and efficient technique for gamma/alpha phase composition determination for nuclear fuels.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaufmann, Barbel; Plevka, Pavel; Kuhn, Richard J.

2010-05-25

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 {angstrom} using synchrotron radiation. A preliminary analysis of the diffraction images indicated that the crystals had unit-cell parameters a {approx_equal} b {approx_equal} 480 {angstrom}, {gamma} = 120{sup o}, suggesting a tight hexagonal packing of onemore » virus particle per unit cell.« less

Crystallization and preliminary X-ray diffraction analysis of a novel sphingomyelinase D from Loxosceles gaucho venom.

PubMed

Ullah, Anwar; Magalhães, Geraldo Santana; Masood, Rehana; Mariutti, Ricardo Barros; Coronado, Monika Aparecida; Murakami, Mário Tyago; Barbaro, Katia Cristina; Arni, Raghuvir Krishnaswamy

2014-10-01

Brown spider envenomation results in dermonecrosis, intravascular coagulation, haemolysis and renal failure, mainly owing to the action of sphingomyelinases D (SMases D), which catalyze the hydrolysis of sphingomyelin to produce ceramide 1-phosphate and choline or the hydrolysis of lysophosphatidylcholine to produce lysophosphatidic acid. Here, the heterologous expression, purification, crystallization and preliminary X-ray diffraction analysis of LgRec1, a novel SMase D from Loxosceles gaucho venom, are reported. The crystals belonged to space group P21212, with unit-cell parameters a = 52.98, b = 62.27, c = 84.84 Å and diffracted to a maximum resolution of 2.6 Å.

Crystallization and preliminary X-ray diffraction analysis of a novel sphingomyelinase D from Loxosceles gaucho venom

PubMed Central

Ullah, Anwar; Magalhães, Geraldo Santana; Masood, Rehana; Mariutti, Ricardo Barros; Coronado, Monika Aparecida; Murakami, Mário Tyago; Barbaro, Katia Cristina; Arni, Raghuvir Krishnaswamy

2014-01-01

Brown spider envenomation results in dermonecrosis, intravascular coagulation, haemolysis and renal failure, mainly owing to the action of sphingomyelinases D (SMases D), which catalyze the hydrolysis of sphingomyelin to produce ceramide 1-phosphate and choline or the hydrolysis of lysophosphatidylcholine to produce lysophosphatidic acid. Here, the heterologous expression, purification, crystallization and preliminary X-ray diffraction analysis of LgRec1, a novel SMase D from Loxosceles gaucho venom, are reported. The crystals belonged to space group P21212, with unit-cell parameters a = 52.98, b = 62.27, c = 84.84 Å and diffracted to a maximum resolution of 2.6 Å. PMID:25286953

[Integration design and diffraction characteristics analysis of prism-grating-prism].

PubMed

He, Tian-Bo; Bayanheshig; Li, Wen-Hao; Kong, Peng; Tang, Yu-Guo

2014-01-01

Prism-grating-prism (PGP) module is the important dispersing component in the hyper spectral imager. In order to effectively predict the distribution of diffraction efficiency of the whole PGP component and its diffraction characteristics before fabrication, a method of the PGP integration design is proposed. From the point of view of the volume phase holographic grating (VPHG) design, combined with the restrictive correlation between the various parameters of prisms and grating, we compiled the analysis software for calculating the whole PGP's diffraction efficiency. Furthermore, the effects of the structure parameters of prisms and grating on the PGP's diffraction characteristics were researched in detail. In particular we discussed the Bragg wavelength shift behaviour of the grating and a broadband PGP spectral component with high diffraction efficiency was designed for the imaging spectrometers. The result of simulation indicated that the spectral bandwidth of the PGP becomes narrower with the dispersion coefficient of prism 1 material decreasing; Bragg wavelength shift characteristics broaden the bandwidth of VPHG both spectrally and angularly, higher angular selectivity is desirable for selection requirements of the prism 1 material, and it can be easily tuned to achieve spectral bandwidth suitable for imaging PGP spectrograph; the vertex angle of prism 1, the film thickness and relative permittivity modulation of the grating have a significant impact on the distribution of PGP's diffraction efficiency, so precision control is necessary when fabrication. The diffraction efficiency of the whole PGP component designed by this method is no less than 50% in the wavelength range from 400 to 1000 nm, the specific design parameters have been given in this paper that have a certain reference value for PGP fabrication.

ASTEROID SIZING BY RADIOGALAXY OCCULTATION AT 5 GHZ

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lehtinen, K.; Muinonen, K.; Poutanen, M.

Stellar occultations by asteroids observed at visual wavelengths have been an important tool for studying the size and shape of asteroids and for revising the orbital parameters of asteroids. At radio frequencies, a shadow of an asteroid on the Earth is dominated by diffraction effects. Here, we show, for the first time, that a single observation of an occultation of a compact radio source at a frequency of 5 GHz can be used to derive the effective size of the occulting object and to derive the distance between the observer and the center of the occultation path on the Earth.more » The derived diameter of the occulting object, asteroid (115) Thyra, is 75 ± 6 km. The observed occultation profile shows features that cannot be explained by diffraction of a single asteroid.« less

Structural Characterisation and Mechanical FE Analysis of Conventional and M-Wire Ni-Ti Alloys Used in Endodontic Rotary Instruments

PubMed Central

Montalvão, Diogo; Alçada, Francisca Sena; Braz Fernandes, Francisco Manuel; de Vilaverde-Correia, Sancho

2014-01-01

The purpose of this study is to understand how the M-Wire alloy conditions the mechanical flexibility of endodontic rotary files at body temperature.Two different rotary instruments, a Profile GT 20/.06 and a Profile GT Series X 20/.06, were selected due to their geometrical similarity and their different constituent alloy. GT series X files are made from M-Wire, a Ni-Ti alloy allegedly having higher flexibility at body temperature. Both files were analysed by X-Ray Diffraction and Differential Scanning Calorimetry to investigate phase transformations and the effects of working temperature on these different alloys. Mechanical behaviour was assessed by means of static bending and torsional Finite Element simulations, taking into account the nonlinear superelastic behaviour of Ni-Ti materials. It was found that GT files present austenitic phase at body temperature, whereas GT series X present R-phase at temperatures under 40°C with a potential for larger flexibility. For the same load conditions, simulations showed that the slight geometrical differences between the two files do not introduce great disagreement in the instruments' mechanical response. It was confirmed that M-Wire increases the instrument's flexibility, mainly due to the presence of R-phase at body temperature. PMID:24574937

Structural characterisation and mechanical FE analysis of conventional and M-Wire Ni-Ti alloys used in endodontic rotary instruments.

PubMed

Montalvão, Diogo; Alçada, Francisca Sena; Braz Fernandes, Francisco Manuel; de Vilaverde-Correia, Sancho

2014-01-01

The purpose of this study is to understand how the M-Wire alloy conditions the mechanical flexibility of endodontic rotary files at body temperature.Two different rotary instruments, a Profile GT 20/.06 and a Profile GT Series X 20/.06, were selected due to their geometrical similarity and their different constituent alloy. GT series X files are made from M-Wire, a Ni-Ti alloy allegedly having higher flexibility at body temperature. Both files were analysed by X-Ray Diffraction and Differential Scanning Calorimetry to investigate phase transformations and the effects of working temperature on these different alloys. Mechanical behaviour was assessed by means of static bending and torsional Finite Element simulations, taking into account the nonlinear superelastic behaviour of Ni-Ti materials. It was found that GT files present austenitic phase at body temperature, whereas GT series X present R-phase at temperatures under 40 °C with a potential for larger flexibility. For the same load conditions, simulations showed that the slight geometrical differences between the two files do not introduce great disagreement in the instruments' mechanical response. It was confirmed that M-Wire increases the instrument's flexibility, mainly due to the presence of R-phase at body temperature.

Spin Polarization and Quantum Spins in Au Nanoparticles

PubMed Central

Li, Chi-Yen; Karna, Sunil K.; Wang, Chin-Wei; Li, Wen-Hsien

2013-01-01

The present study focuses on investigating the magnetic properties and the critical particle size for developing sizable spontaneous magnetic moment of bare Au nanoparticles. Seven sets of bare Au nanoparticle assemblies, with diameters from 3.5 to 17.5 nm, were fabricated with the gas condensation method. Line profiles of the X-ray diffraction peaks were used to determine the mean particle diameters and size distributions of the nanoparticle assemblies. The magnetization curves M(Ha) reveal Langevin field profiles. Magnetic hysteresis was clearly revealed in the low field regime even at 300 K. Contributions to the magnetization from different size particles in the nanoparticle assemblies were considered when analyzing the M(Ha) curves. The results show that the maximum particle moment will appear in 2.4 nm Au particles. A similar result of the maximum saturation magnetization appearing in 2.3 nm Au particles is also concluded through analysis of the dependency of the saturation magnetization MP on particle size. The MP(d) curve departs significantly from the 1/d dependence, but can be described by a log-normal function. Magnetization can be barely detected for Au particles larger than 27 nm. Magnetic field induced Zeeman magnetization from the quantum confined Kubo gap opening appears in Au nanoparticles smaller than 9.5 nm in diameter. PMID:23989607

Green synthesis and characterisation of silver nanoparticles and their effects on antimicrobial efficacy and biochemical profiling in Citrus reticulata.

PubMed

Hussain, Mubashir; Raja, Naveed Iqbal; Mashwani, Zia-Ur-Rehman; Naz, Farah; Iqbal, Muhammad; Aslam, Sumaira

2018-06-01

The synthesis of nanoparticles by utilising plant extract has revolutionised the field of nanotechnology. In the present study, AgNPs were synthesised by utilising the leaves of Moringa oleifera as reducing and stabilising agent. UV-visible spectroscopy showed characteristic surface plasmon band in the range of 413-420 nm. Scanning electron microscopy (SEM) elucidated rectangular segments fused together. X-ray diffraction (XRD) analysis confirmed the crystalline nature of AgNPs and presence of metallic silver ions was confirmed by energy dispersive X-ray (EDX). The different concentrations (10, 20, 30 and 40 ppm) of AgNPs were exogenously applied on Citrus reticulata to record the disease incidence at different day intervals. The disease intensity was progressively increased in all the applied treatments with the passage of time. The 30 ppm concentration of AgNPs was found to be most suitable concentration for creating the resistance against brown spot disease. Moreover, the effects of AgNPs were also assessed for biochemical profiling in C. reticulata . The enhanced production of endogenous enzymes and non-enzymatic components was observed in response to 30 ppm concentration of AgNPs. The present work highlighted that green synthesised AgNPs can be as used as biological control of citrus diseases and the enhanced production of secondary metabolites antioxidants.

Growth mechanisms of MgO nanocrystals via a sol-gel synthesis using different complexing agents

PubMed Central

2014-01-01

In the preparation of nanostructured materials, it is important to optimize synthesis parameters in order to obtain the desired material. This work investigates the role of complexing agents, oxalic acid and tartaric acid, in the production of MgO nanocrystals. Results from simultaneous thermogravimetric analysis (STA) show that the two different synthesis routes yield precursors with different thermal profiles. It is found that the thermal profiles of the precursors can reveal the effects of crystal growth during thermal annealing. X-ray diffraction confirms that the final products are pure, single phase and of cubic shape. It is also found that complexing agents can affect the rate of crystal growth. The structures of the oxalic acid and tartaric acid as well as the complexation sites play very important roles in the formation of the nanocrystals. The complexing agents influence the rate of growth which affects the final crystallite size of the materials. Surprisingly, it is also found that oxalic acid and tartaric acid act as surfactants inhibiting crystal growth even at a high temperature of 950°C and a long annealing time of 36 h. The crystallite formation routes are proposed to be via linear and branched polymer networks due to the different structures of the complexing agents. PMID:24650322