Mittemeijer, E J
2013-01-01
The role of diffraction methods for the solid-state sciences has been pivotal to determining the (micro)structure of a material. Particularly, the expanding activities in materials science have led to the development of new methods for analysis by diffraction. This book offers an authoritative overview of the new developments in the field of analysis of matter by (in particular X-ray, electron and neutron) diffraction. It is composed of chapters written by leading experts on 'modern diffraction methods'. The focus in the various chapters of this book is on the current forefront of research on
The Diffraction Response Interpolation Method
Jespersen, Søren Kragh; Wilhjelm, Jens Erik; Pedersen, Peder C.
1998-01-01
medium, is presented. The DRIM is based on the velocity potential impulseresponse method, adapted to pulse-echo applications by the use of acoustical reciprocity. Specifically, the DRIM operates bydividing the reflector surface into planar elements, finding the diffraction response at the corners...... of the elements, calculating theresponse integrated over the surface element by time-domain convolutions with analytically determined filters, and summing theresponses from the individual surface elements. As the method is based on linearity, effects such as shadowing, higher-orderdiffraction, nonlinear...
Advances in structure research by diffraction methods
Hoppe, W
1974-01-01
Advances in Structure Research by Diffraction Methods: Volume 5 presents discussions on application of diffraction methods in structure research. The book provides the aspects of structure research using various diffraction methods. The text contains 2 chapters. Chapter 1 reviews the general theory and experimental methods used in the study of all types of amorphous solid, by both X-ray and neutron diffraction, and the detailed bibliography of work on inorganic glasses. The second chapter discusses electron diffraction, one of the major methods of determining the structures of molecules in the
Advances in structure research by diffraction methods
Brill, R
1970-01-01
Advances in Structure Research by Diffraction Methods reviews advances in the use of diffraction methods in structure research. Topics covered include the dynamical theory of X-ray diffraction, with emphasis on Ewald waves in theory and experiment; dynamical theory of electron diffraction; small angle scattering; and molecular packing. This book is comprised of four chapters and begins with an overview of the dynamical theory of X-ray diffraction, especially in terms of how it explains all the absorption and propagation properties of X-rays at the Bragg setting in a perfect crystal. The next
Diffraction method of vocal chord oscillation sensing
Kuzmin, Sergey Y.; Tuchin, Valery V.
1996-04-01
A method of small-amplitude biovibrations detection is presented in the paper. The method uses a dependence of properties of speckle-structures formed by focused coherent light field diffraction from rough surfaces on the statistics and movement parameters of the surface. With the help of computer modeling the different components of skin surface vibration were analyzed and their influence on speckles dynamics was studied. Human vocal chord oscillations spectrum was monitored using the developed technique.
2010 Diffraction Methods in Structural Biology
Dr. Ana Gonzalez
2011-03-10
Advances in basic methodologies have played a major role in the dramatic progress in macromolecular crystallography over the past decade, both in terms of overall productivity and in the increasing complexity of the systems being successfully tackled. The 2010 Gordon Research Conference on Diffraction Methods in Structural Biology will, as in the past, focus on the most recent developments in methodology, covering all aspects of the process from crystallization to model building and refinement, complemented by examples of structural highlights and complementary methods. Extensive discussion will be encouraged and it is hoped that all attendees will participate by giving oral or poster presentations, the latter using the excellent poster display area available at Bates College. The relatively small size and informal atmosphere of the meeting provides an excellent opportunity for all participants, especially younger scientists, to meet and exchange ideas with leading methods developers.
A pseudospectral collocation time-domain method for diffractive optics
Dinesen, P.G.; Hesthaven, J.S.; Lynov, Jens-Peter
2000-01-01
We present a pseudospectral method for the analysis of diffractive optical elements. The method computes a direct time-domain solution of Maxwell's equations and is applied to solving wave propagation in 2D diffractive optical elements. (C) 2000 IMACS. Published by Elsevier Science B.V. All rights...
Introduction of acoustical diffraction in the radiative transfer method
Reboul, Emeline; Le Bot, Alain; Perret-Liaudet, Joël
2004-07-01
This Note presents an original approach to include diffraction in the radiative transfer method when applied to acoustics. This approach leads to a better spatial description of the acoustical energy. An energetic diffraction coefficient and some diffraction sources are introduced to model the diffraction phenomena. The amplitudes of these sources are determined by solving a linear sytem of equations resulting from the power balance between all acoustical sources. The approach is applied on bidimensional examples and gives good results except at geometrical boundaries. To cite this article: E. Reboul et al., C. R. Mecanique 332 (2004).
Sparse diffraction imaging method using an adaptive reweighting homotopy algorithm
Yu, Caixia; Zhao, Jingtao; Wang, Yanfei; Qiu, Zhen
2017-02-01
Seismic diffractions carry valuable information from subsurface small-scale geologic discontinuities, such as faults, cavities and other features associated with hydrocarbon reservoirs. However, seismic imaging methods mainly use reflection theory for constructing imaging models, which means a smooth constraint on imaging conditions. In fact, diffractors occupy a small account of distributions in an imaging model and possess discontinuous characteristics. In mathematics, this kind of phenomena can be described by the sparse optimization theory. Therefore, we propose a diffraction imaging method based on a sparsity-constraint model for studying diffractors. A reweighted L 2-norm and L 1-norm minimization model is investigated, where the L 2 term requests a least-square error between modeled diffractions and observed diffractions and the L 1 term imposes sparsity on the solution. In order to efficiently solve this model, we use an adaptive reweighting homotopy algorithm that updates the solutions by tracking a path along inexpensive homotopy steps. Numerical examples and field data application demonstrate the feasibility of the proposed method and show its significance for detecting small-scale discontinuities in a seismic section. The proposed method has an advantage in improving the focusing ability of diffractions and reducing the migration artifacts.
Application of optical diffraction method in designing phase plates
Lei, Ze-Min; Sun, Xiao-Yan; Lv, Feng-Nian; Zhang, Zhen; Lu, Xing-Qiang
2016-11-01
Continuous phase plate (CPP), which has a function of beam shaping in laser systems, is one kind of important diffractive optics. Based on the Fourier transform of the Gerchberg-Saxton (G-S) algorithm for designing CPP, we proposed an optical diffraction method according to the real system conditions. A thin lens can complete the Fourier transform of the input signal and the inverse propagation of light can be implemented in a program. Using both of the two functions can realize the iteration process to calculate the near-field distribution of light and the far-field repeatedly, which is similar to the G-S algorithm. The results show that using the optical diffraction method can design a CPP for a complicated laser system, and make the CPP have abilities of beam shaping and phase compensation for the phase aberration of the system. The method can improve the adaptation of the phase plate in systems with phase aberrations.
Diffraction as a Method of Critical Policy Analysis
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…
Optical method for inspecting LSI patterns using reflected diffraction waves.
Kimura, S; Suda, K; Hase, S; Munakata, C
1988-03-15
An optical inspection method has been developed for finding defects in LSI lithographic patterns. A focused He-Ne laser beam scans the patterns on a wafer. The reflected diffraction waves around the wafer are observed. These diffraction waves indicate whether the patterns contain defects. To implement this judgment rapidly, signals of the waves characterizing the patterns are input directly into the address lines of random access memories. The system can detect a defect of ~0.8-microm diameter and inspect a 1-cm(2) chip in 9 s.
Comparison between powder and slices diffraction methods in teeth samples
Colaco, Marcos V.; Barroso, Regina C. [Universidade do Estado do Rio de Janeiro (IF/UERJ), RJ (Brazil). Inst. de Fisica. Dept. de Fisica Aplicada; Porto, Isabel M. [Universidade Estadual de Campinas (FOP/UNICAMP), Piracicaba, SP (Brazil). Fac. de Odontologia. Dept. de Morfologia; Gerlach, Raquel F. [Universidade de Sao Paulo (FORP/USP), Rieirao Preto, SP (Brazil). Fac. de Odontologia. Dept. de Morfologia, Estomatologia e Fisiologia; Costa, Fanny N. [Coordenacao dos Programas de Pos-Graduacao de Engenharia (LIN/COPPE/UFRJ), RJ (Brazil). Lab. de Instrumentacao Nuclear
2011-07-01
Propose different methods to obtain crystallographic information about biological materials are important since powder method is a nondestructive method. Slices are an approximation of what would be an in vivo analysis. Effects of samples preparation cause differences in scattering profiles compared with powder method. The main inorganic component of bones and teeth is a calcium phosphate mineral whose structure closely resembles hydroxyapatite (HAp). The hexagonal symmetry, however, seems to work well with the powder diffraction data, and the crystal structure of HAp is usually described in space group P63/m. Were analyzed ten third molar teeth. Five teeth were separated in enamel, detin and circumpulpal detin powder and five in slices. All the scattering profile measurements were carried out at the X-ray diffraction beamline (XRD1) at the National Synchrotron Light Laboratory - LNLS, Campinas, Brazil. The LNLS synchrotron light source is composed of a 1.37 GeV electron storage ring, delivering approximately 4x10{sup -1}0 photons/s at 8 keV. A double-crystal Si(111) pre-monochromator, upstream of the beamline, was used to select a small energy bandwidth at 11 keV . Scattering signatures were obtained at intervals of 0.04 deg for angles from 24 deg to 52 deg. The human enamel experimental crystallite size obtained in this work were 30(3)nm (112 reflection) and 30(3)nm (300 reflection). These values were obtained from measurements of powdered enamel. When comparing the slice obtained 58(8)nm (112 reflection) and 37(7)nm (300 reflection) enamel diffraction patterns with those generated by the powder specimens, a few differences emerge. This work shows differences between powder and slices methods, separating characteristics of sample of the method's influence. (author)
New methods for indexing multi-lattice diffraction data.
Gildea, Richard J; Waterman, David G; Parkhurst, James M; Axford, Danny; Sutton, Geoff; Stuart, David I; Sauter, Nicholas K; Evans, Gwyndaf; Winter, Graeme
2014-10-01
A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from crystals of ∼1 µm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1° wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling.
Orientation sampling for dictionary-based diffraction pattern indexing methods
Singh, S.; De Graef, M.
2016-12-01
A general framework for dictionary-based indexing of diffraction patterns is presented. A uniform sampling method of orientation space using the cubochoric representation is introduced and used to derive an empirical relation between the average disorientation between neighboring sampling points and the number of grid points sampled along the semi-edge of the cubochoric cube. A method to uniformly sample misorientation iso-surfaces is also presented. This method is used to show that the dot product serves as a proxy for misorientation. Furthermore, it is shown that misorientation iso-surfaces in Rodrigues space are quadractic surfaces. Finally, using the concept of Riesz energies, it is shown that the sampling method results in a near optimal covering of orientation space.
New methods for indexing multi-lattice diffraction data
Gildea, Richard J. [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Waterman, David G. [STFC Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); CCP4, Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot OX11 0FA (United Kingdom); Parkhurst, James M.; Axford, Danny [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Sutton, Geoff [University of Oxford, Oxford OX3 7BN (United Kingdom); Stuart, David I. [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); University of Oxford, Oxford OX3 7BN (United Kingdom); Sauter, Nicholas K. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Evans, Gwyndaf; Winter, Graeme, E-mail: graeme.winter@diamond.ac.uk [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom)
2014-10-01
A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of data. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from microcrystals of ∼1 µm in size. A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from crystals of ∼1 µm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1° wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling.
TANG Lin; GU Chun; CHEN Bo; WANG Pei; MING Hai; XIE Jian-Ping
2005-01-01
@@ The boundary diffraction wave theory is introduced to analyse a near-field diffraction (NFD) pattern of a metallic probe tip of apertureless scanning near-field microscopy. This method is simple and can give a clear physical picture. The polarization effect of the incident light and the different shapes of the metallic probe tip are simulated. The results show that the NFD pattern of the metallic probe tip is directly related to those factors.
Phase retrieval methods for surface x-ray diffraction
Saldin, D.K.; Harder, R.J.; Shneerson, V.L. [Department of Physics, University of Wisconsin-Milwaukee, Milwaukee, WI (United States); Moritz, W. [Institute of Crystallography and Applied Mineralogy, University of Munich, Munich (Germany)
2001-11-26
We develop an iterative input-output feedback method for the phasing of surface x-ray diffraction (SXRD) amplitudes that relies on successive operations in real and reciprocal space. We demonstrate its use for the recovery of the real and positive electron density of a surface unit cell from simulated SXRD intensities. We have successfully recovered the entire surface electron density in a case where the two-dimensional surface unit cell is the same as that of the bulk and also in one where the surface unit cell is four times larger than that of the bulk. We show that the exponential modelling algorithm for structure completion derived earlier from maximum entropy theory may be regarded as a special case of an input-output phasing algorithm with a particular form of object-domain operations. (author)
The rotating-crystal method in femtosecond X-ray diffraction.
Freyer, B; Stingl, J; Zamponi, F; Woerner, M; Elsaesser, T
2011-08-01
We report the first implementation of the rotating-crystal method in femtosecond X-ray diffraction. Applying a pump-probe scheme with 100 fs hard X-ray probe pulses from a laser-driven plasma source, the novel technique is demonstrated by mapping structural dynamics of a photoexcited bismuth crystal via changes of the diffracted intensity on a multitude of Bragg reflections. The method is compared to femtosecond powder diffraction and to Bragg diffraction from a crystal with stationary orientation.
A Practical Method of Simulating X-Ray Diffraction
Brisse, F.; Sundararajan, P. R.
1975-01-01
Describes an experiment in which the beam of X-rays is simulated through the use of a laser as a monochromatic light source and the crystal is replaced by photographically prepared masks. A strong diffraction pattern as large as 20 cm. can be obtained. (GS)
A Practical Method of Simulating X-Ray Diffraction
Brisse, F.; Sundararajan, P. R.
1975-01-01
Describes an experiment in which the beam of X-rays is simulated through the use of a laser as a monochromatic light source and the crystal is replaced by photographically prepared masks. A strong diffraction pattern as large as 20 cm. can be obtained. (GS)
Sergio Vázquez-Montiel
2010-01-01
Full Text Available We propose an alternative method to design diffractive lenses free of spherical aberration for monochromatic light. Our method allows us to design diffractive lenses with the diffraction structure recorded on the last surface; this surface can be flat or curved with rotation symmetry. The equations that we propose calculate the diffraction profiles for any substratum, for any f-number, and for any position of the object. We use the lens phase coefficients to compensate the spherical aberration. To calculate these coefficients, we use an analytic-numerical method. The calculations are exact, and the optimization process is not required.
Genetic algorithm-based design method for multilevel anisotropic diffraction gratings
Okamoto, Hiroyuki; Noda, Kohei; Sakamoto, Moritsugu; Sasaki, Tomoyuki; Wada, Yasuhiro; Kawatsuki, Nobuhiro; Ono, Hiroshi
2017-08-01
We developed a method for the design of multilevel anisotropic diffraction gratings based on a genetic algorithm. The method is used to design the multilevel anisotropic diffraction gratings based on input data that represent the output from the required grating. The validity of the proposed method was evaluated by designing a multilevel anisotropic diffraction grating using the outputs from an orthogonal circular polarization grating. The design results corresponded to the orthogonal circular polarization grating structures that were used to provide outputs to act as the input data for the process. Comparison with existing design methods shows that the proposed method can reduce the number of human processes that are required to design multilevel anisotropic diffraction gratings. Additionally, the method will be able to design complex structures without any requirement for subsequent examination by a human designer. The method can contribute to the development of optical elements by designing multilevel anisotropic diffraction gratings.
Application of the method of auxiliary sources in optical diffraction microscopy
Karamehmedovic, Mirza; Sørensen, Mads Peter; Hansen, Poul-Erik
2010-01-01
The Method of Auxiliary Sources is used for characterisation of grating defects. Grating profiles are characterised by best fit matching of a library of diffraction efficiencies with numerical simulated diffraction efficiencies with defects. It is shown that the presented method can solve...
Large Rapidity Gap Method to Select Soft Diffraction Dissociation at the LHC
Emily Nurse
2016-01-01
Full Text Available In proton-proton (pp collisions, any process involves exchanging the vacuum quantum numbers is known as diffractive process. A diffractive process with no large Q2 is called soft diffractive process. The diffractive processes are important for understanding nonperturbative QCD effects and they also constitute a significant fraction of the total pp cross section. The diffractive events are typically characterized by a region of the detector without particles, known as a rapidity gap. In order to observe diffractive events in this way, we consider the pseudorapidity acceptance in the forward region of the ATLAS and CMS detectors at the Large Hadron Collider (LHC and discuss the methods to select soft diffractive dissociation for pp collisions at s=7 TeV. It is shown that, in the limited detector rapidity acceptance, it is possible to select diffractive dissociation events by requiring a rapidity gap in the event; however, without using forward detectors, it seems not possible to fully separate single and double diffractive dissociation events. The Zero Degree Calorimeters can be used to distinguish the type of the diffractive processes up to a certain extent.
Simulating multiple diffraction in imaging systems using a path integration method.
Mout, Marco; Wick, Michael; Bociort, Florian; Petschulat, Jörg; Urbach, Paul
2016-05-10
We present a method for simulating multiple diffraction in imaging systems based on the Huygens-Fresnel principle. The method accounts for the effects of both aberrations and diffraction and is entirely performed using Monte Carlo ray tracing. We compare the results of this method to those of reference simulations for field propagation through optical systems and for the calculation of point spread functions. The method can accurately model a wide variety of optical systems beyond the exit pupil approximation.
Investigation of kidney stones by X-ray diffraction method
Muakthong, D.
2005-01-01
Full Text Available An investigation of 39 male kidney stone samples and 11 female kidney stone samples obtained from Songklanakarind Hospital, Hat Yai, Songkhla was carried out. Most samples were obtained from patients ages over 40 years. By means of X-ray diffraction (XRD, kidney stones can be classified according to their structure and composition into 3 groups is 1. uric acid (C5H4N4O3 and ammonium acid urate (C5H7N5O3 2. oxalates; whewelite (C2CaO4!H2O CaC2O4!H2O and weddellite (C2CaO4!2H2O 3. phosphates; struvite (NH4MgPO4!6H2O and calcium phosphate hydrate (Ca3(PO42!xH2O. External and internal environments such as occupation, dietary habits, lack of water-drinking etc. are the major factors for kidney stone formation. Results from this study are very useful for the patients to prevent recrystallization of kidney stones by avoiding some elements or some organic compounds which are main components of kidney stones formed in the human urinary system.
Yu, Caixia; Wang, Yanfei; Zhao, Jingtao
2017-10-01
Seismic diffractions play a vital role in identifying discontinuous geological structures, such as tiny faults and cavities which are important because of their close relationship with the reservoir properties of oil and gas. In this paper, we focus on an extraction method for separation of seismic diffractions. The energy of reflection is usually much stronger than that of the diffraction, thus, removing reflection becomes a key problem for diffraction applications. In order to extract seismic diffractions accurately and stably, we propose an optimised regularisation method based on the local plane-wave equation. By considering two constraints arising from the Sobolev penalty function and the difference operator, we build a stable minimisation model for determining seismic slopes. In computation, an iterative method based on projection onto a convex set for solving the nonlinear minimisation is developed, which can provide fast and accurate solutions. Subtracting the predicted reflections from the seismic image, we can extract the seismic diffractions. Numerical experiments illustrate the effectiveness of the diffraction extraction method in separating tiny faults, scatterers and cavities. Finally, a carbonate reservoir field example is provided to demonstrate the high-resolution capability of the method in revealing small-scale discontinuous geological features.
A design method based on photonic crystal theory for Bragg concave diffraction grating
Du, Bingzheng; Zhu, Jingping; Mao, Yuzheng; Li, Bao; Zhang, Yunyao; Hou, Xun
2017-02-01
A design method based on one-dimensional photonic crystal theory (1-D PC theory) is presented to design Bragg concave diffraction grating (Bragg-CDG) for the demultiplexer. With this design method, the reflection condition calculated by the 1-D PC theory can be matched perfectly with the diffraction condition. As a result, the shift of central wavelength of diffraction spectra can be improved, while keeping high diffraction efficiency. Performances of Bragg-CDG for TE and TM-mode are investigated, and the simulation results are consistent with the 1-D PC theory. This design method is expected to be applied to improve the accuracy and efficiency of Bragg-CDG after further research.
Zhang, C M
2007-01-01
The stationary phase point (SPP) method in one-dimensional case is introduced to treat the diffractive scintillation. From weak scattering, where the SPP number N=1, to strong scattering (N$\\gg$1), via transitional scattering regime (N$\\sim$2,3), we find that the modulation index of intensity experiences the monotonically increasing from 0 to 1 with the scattering strength, characterized by the ratio of Fresnel scale $\\rf$ to diffractive scale $\\rdiff$.
WEI Tingcun
2002-01-01
The effect of diffraction on the ultrasonic velocity measured by the pulse interference method has been investigated in VHF range theoretically and experimentally. Two silicate glasses are taken as the specimens, their frequency dependences of longitudinal velocities are measured in the frequency range of 50-350 MHz, and the phase advances of ultrasonic signals caused by diffraction effect are calculated using A. O. Williams' theoretical expression. For the velocity error due to diffraction effect, the experimental results are in good agreement with the theoretical prediction. It has been shown that the velocity error due to diffraction effect is directly proportional to d θ21 (f)/df, where θ21 (f) is the phase advances difference between the two partial reflection signals used in velocity measurement and f is the ultrasonic frequency.
MULTI-PEAK MATCH INTENSITY RATIO METHOD OF QUANTITATIVE X-RAY DIFFRACTION PHASE ANALYSIS
G. Chu; Y.F. Cong; H.J. You
2003-01-01
A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample by using all diffraction peak data in the mixture sample X-ray diffraction spectrum and combining the relative intensity distribution data of each phase standard peak in JCPDS card to carry on the least square method regression analysis. It is benefit to improve the precision of quantitative phase analysis that the given single line ratio which is usually adopted is taken the place of the multi-peak match intensity ratio and is used in X-ray diffraction quantitative phase analysis of the mixture sample. By analyzing four-group mixture sample, adopting multi-peak match intensity ratio and X-ray diffraction quantitative phase analysis principle of combining the adiabatic and matrix flushing method, it is tested that the experimental results are identical with theory.
Interative-phase method for diffractively levelling the Gauss beam intensity
Golub, М.; Doskolovich, L.; Kotlyar, V.; Nikolsky, I.; Soifer, V.
1993-01-01
The phase diffractive optical element that transforms the Gaussian collimated beam into the uniformly illuminated rectangle has been calculated. In computing the phase function we have employed an adaptive iterative algorithm which is generalization of the Gerchberg-Saxton method. The smooth phase function derived using geometrical optical methods has been used as an initial approximation.
Modeling laser beam diffraction and propagation by the mode-expansion method.
Snyder, James J
2007-08-01
In the mode-expansion method for modeling propagation of a diffracted beam, the beam at the aperture can be expanded as a weighted set of orthogonal modes. The parameters of the expansion modes are chosen to maximize the weighting coefficient of the lowest-order mode. As the beam propagates, its field distribution can be reconstructed from the set of weighting coefficients and the Gouy phase of the lowest-order mode. We have developed a simple procedure to implement the mode-expansion method for propagation through an arbitrary ABCD matrix, and we have demonstrated that it is accurate in comparison with direct calculations of diffraction integrals and much faster.
An efficient and accurate method for calculating nonlinear diffraction beam fields
Jeong, Hyun Jo; Cho, Sung Jong; Nam, Ki Woong; Lee, Jang Hyun [Division of Mechanical and Automotive Engineering, Wonkwang University, Iksan (Korea, Republic of)
2016-04-15
This study develops an efficient and accurate method for calculating nonlinear diffraction beam fields propagating in fluids or solids. The Westervelt equation and quasilinear theory, from which the integral solutions for the fundamental and second harmonics can be obtained, are first considered. A computationally efficient method is then developed using a multi-Gaussian beam (MGB) model that easily separates the diffraction effects from the plane wave solution. The MGB models provide accurate beam fields when compared with the integral solutions for a number of transmitter-receiver geometries. These models can also serve as fast, powerful modeling tools for many nonlinear acoustics applications, especially in making diffraction corrections for the nonlinearity parameter determination, because of their computational efficiency and accuracy.
2012-01-01
Source: US2012008736A An X-ray diffraction contrast tomography system (DCT) comprising a laboratory X-ray source (2), a staging device (5) rotating a polycrystalline material sample in the direct path of the X-ray beam, a first X-ray detector (6) detecting the direct X-ray beam being transmitted...... through the crystalline material sample, a second X-ray detector (7) positioned between the staging device and the first X-ray detector for detecting diffracted X-ray beams, and a processing device (15) for analysing detected values. The crystallographic grain orientation of the individual grain...
Nonlinear generalized source method for modeling second-harmonic generation in diffraction gratings
Weismann, Martin; Panoiu, Nicolae C
2015-01-01
We introduce a versatile numerical method for modeling light diffraction in periodically patterned photonic structures containing quadratically nonlinear non-centrosymmetric optical materials. Our approach extends the generalized source method to nonlinear optical interactions by incorporating the contribution of nonlinear polarization sources to the diffracted field in the algorithm. We derive the mathematical formalism underlying the numerical method and introduce the Fourier-factorization suitable for nonlinear calculations. The numerical efficiency and runtime characteristics of the method are investigated in a set of benchmark calculations: the results corresponding to the fundamental frequency are compared to those obtained from a reference method and the beneficial effects of the modified Fourier-factorization rule on the accuracy of the nonlinear computations is demonstrated. In order to illustrate the capabilities of our method, we employ it to demonstrate strong enhancement of second-harmonic genera...
A greedy method for reconstructing polycrystals from three-dimensional X-ray diffraction data
Kulshreshth, Arun Kumar; Alpers, Andreas; Herman, Gabor T.
2009-01-01
An iterative search method is proposed for obtaining orientation maps inside polycrystals from three-dimensional X-ray diffraction (3DXRD) data. In each step, detector pixel intensities are calculated by a forward model based on the current estimate of the orientation map. The pixel at which the ...
Robust diffraction correction method for high-frequency ultrasonic tissue characterization
Raju, Balasundar
2001-05-01
The computation of quantitative ultrasonic parameters such as the attenuation or backscatter coefficient requires compensation for diffraction effects. In this work a simple and accurate diffraction correction method for skin characterization requiring only a single focal zone is developed. The advantage of this method is that the transducer need not be mechanically repositioned to collect data from several focal zones, thereby reducing the time of imaging and preventing motion artifacts. Data were first collected under controlled conditions from skin of volunteers using a high-frequency system (center frequency=33 MHz, BW=28 MHz) at 19 focal zones through axial translation. Using these data, mean backscatter power spectra were computed as a function of the distance between the transducer and the tissue, which then served as empirical diffraction correction curves for subsequent data. The method was demonstrated on patients patch-tested for contact dermatitis. The computed attenuation coefficient slope was significantly (p<0.05) lower at the affected site (0.13+/-0.02 dB/mm/MHz) compared to nearby normal skin (0.2+/-0.05 dB/mm/MHz). The mean backscatter level was also significantly lower at the affected site (6.7+/-2.1 in arbitrary units) compared to normal skin (11.3+/-3.2). These results show diffraction corrected ultrasonic parameters can differentiate normal from affected skin tissues.
An x-ray diffraction method for semiquantitative mineralogical analysis of chilean nitrate ore
John, C.; George, J.; Ericksen, E.
1997-01-01
Computer analysis of X-ray diffraction (XRD) data provides a simple method for determining the semiquantitative mineralogical composition of naturally occurring mixtures of saline minerals. The method herein described was adapted from a computer program for the study of mixtures of naturally occurring clay minerals. The program evaluates the relative intensities of selected diagnostic peaks for the minerals in a given mixture, and then calculates the relative concentrations of these minerals. The method requires precise calibration of XRD data for the minerals to be studied and selection of diffraction peaks that minimize inter-compound interferences. The calculated relative abundances are sufficiently accurate for direct comparison with bulk chemical analyses of naturally occurring saline mineral assemblages.
2012-01-01
Source: US2012008736A An X-ray diffraction contrast tomography system (DCT) comprising a laboratory X-ray source (2), a staging device (5) rotating a polycrystalline material sample in the direct path of the X-ray beam, a first X-ray detector (6) detecting the direct X-ray beam being transmitted ...... in the polycrystalline sample is determined based on the two-dimensional position of extinction spots and the associated angular position of the sample for a set of extinction spots pertaining to the individual grain....
Gong, Ning-Bo; Lü, Li-Juan; Liu, Chao; Ma, Lin; Chen, Ruo-Yun; Lü, Yang
2010-05-01
The powder X-ray diffraction Fourier fingerprint pattern technique was used to develop a new quantitation method for the analysis of andrographolide and dehydroandrographolide. And the high performance liquid chromatography method was used to evaluate the quantity of andrographolide and dehydroandrographolide. The relationship of diffraction peak intensity and content of andrographolide and dehydroandrographolide was investigated. The powder X-ray diffraction Fourier fingerprint pattern analysis technique can be used to evaluate the quantity of andrographolide and dehydroandrographolide in the herb simultaneously.
X-Ray Diffraction Wafer Mapping Method for Rhombohedral Super-Hetero-Epitaxy
Park, Yoonjoon; Choi, Sang Hyouk; King, Glen C.; Elliott, James R.; Dimarcantonio, Albert L.
2010-01-01
A new X-ray diffraction (XRD) method is provided to acquire XY mapping of the distribution of single crystals, poly-crystals, and twin defects across an entire wafer of rhombohedral super-hetero-epitaxial semiconductor material. In one embodiment, the method is performed with a point or line X-ray source with an X-ray incidence angle approximating a normal angle close to 90 deg, and in which the beam mask is preferably replaced with a crossed slit. While the wafer moves in the X and Y direction, a narrowly defined X-ray source illuminates the sample and the diffracted X-ray beam is monitored by the detector at a predefined angle. Preferably, the untilted, asymmetric scans are of {440} peaks, for twin defect characterization.
A Fourier transform method for powder diffraction based on the Debye scattering equation.
Thomas, Noel William
2011-11-01
A fast Fourier transform algorithm is introduced into the method recently defined for calculating powder diffraction patterns by means of the Debye scattering equation (DSE) [Thomas (2010). Acta Cryst. A66, 64-77]. For this purpose, conventionally used histograms of interatomic distances are replaced by compound transmittance functions. These may be Fourier transformed to partial diffraction patterns, which sum to give the complete diffraction pattern. They also lead to an alternative analytical expression for the DSE sum, which reveals its convergence behaviour. A means of embedding the DSE approach within the reciprocal-lattice-structure-factor method is indicated, with interpolation methods for deriving the peak profiles of nanocrystalline materials outlined. Efficient calculation of transmittance functions for larger crystallites requires the Patterson group symmetry of the crystals to be taken into account, as shown for α- and β-quartz. The capability of the transmittance functions to accommodate stacking disorder is demonstrated by reference to kaolinite, with a fully analytical treatment of disorder described. Areas of future work brought about by these developments are discussed, specifically the handling of anisotropic atomic displacement parameters, inverse Fourier transformation and the incorporation of instrumental (diffractometer) parameters.
Three-dimensional analysis by electron diffraction methods of nanocrystalline materials.
Gammer, Christoph; Mangler, Clemens; Karnthaler, Hans-Peter; Rentenberger, Christian
2011-12-01
To analyze nanocrystalline structures quantitatively in 3D, a novel method is presented based on electron diffraction. It allows determination of the average size and morphology of the coherently scattering domains (CSD) in a straightforward way without the need to prepare multiple sections. The method is applicable to all kinds of bulk nanocrystalline materials. As an example, the average size of the CSD in nanocrystalline FeAl made by severe plastic deformation is determined in 3D. Assuming ellipsoidal CSD, it is deduced that the CSD have a width of 19 ± 2 nm, a length of 18 ± 1 nm, and a height of 10 ± 1 nm.
Ma, Xichao; Xiao, Wen; Pan, Feng
2017-07-01
We present a reconstruction method for samples containing localized refractive index (RI) discontinuities in optical diffraction tomography. Abrupt RI changes induce regional phase perturbations and random spikes, which will be expanded and strengthened by existing tomographic algorithms, resulting in contaminated reconstructions. This method avoids the disturbance by recognition and separation of the discontinuous regions, and recombination of individually reconstructed data. Three-dimensional RI distributions of two fusion spliced optical fibers with different typical discontinuities are demonstrated, showing distinctly detailed structures of the samples as well as the positions and estimated shapes of the discontinuities.
Nonuniform fast Fourier transform method for numerical diffraction simulation on tilted planes.
Xiao, Yu; Tang, Xiahui; Qin, Yingxiong; Peng, Hao; Wang, Wei; Zhong, Lijing
2016-10-01
The method, based on the rotation of the angular spectrum in the frequency domain, is generally used for the diffraction simulation between the tilted planes. Due to the rotation of the angular spectrum, the interval between the sampling points in the Fourier domain is not even. For the conventional fast Fourier transform (FFT)-based methods, a spectrum interpolation is needed to get the approximate sampling value on the equidistant sampling points. However, due to the numerical error caused by the spectrum interpolation, the calculation accuracy degrades very quickly as the rotation angle increases. Here, the diffraction propagation between the tilted planes is transformed into a problem about the discrete Fourier transform on the uneven sampling points, which can be evaluated effectively and precisely through the nonuniform fast Fourier transform method (NUFFT). The most important advantage of this method is that the conventional spectrum interpolation is avoided and the high calculation accuracy can be guaranteed for different rotation angles, even when the rotation angle is close to π/2. Also, its calculation efficiency is comparable with that of the conventional FFT-based methods. Numerical examples as well as a discussion about the calculation accuracy and the sampling method are presented.
Quantitative firing transformations of a triaxial ceramic by X-ray diffraction methods
Conconi, M.S.; Gauna, M.R.; Serra, M.F. [Centro de Tecnologia de Recursos Minerales y Ceramica (CETMIC), Buenos Aires (Argentina); Suarez, G.; Aglietti, E.F.; Rendtorff, N.M., E-mail: rendtorff@cetmic.unlp.edu.ar [Universidad Nacional de La Plata (UNLP), Buenos Aires (Argentina). Fac. de Ciencias Exactas. Dept. de Quimica
2014-10-15
The firing transformations of traditional (clay based) ceramics are of technological and archaeological interest, and are usually reported qualitatively or semi quantitatively. These kinds of systems present an important complexity, especially for X-ray diffraction techniques, due to the presence of fully crystalline, low crystalline and amorphous phases. In this article we present the results of a qualitative and quantitative X-ray diffraction Rietveld analysis of the fully crystalline (kaolinite, quartz, cristobalite, feldspars and/or mullite), the low crystalline (metakaolinite and/or spinel type pre-mullite) and glassy phases evolution of a triaxial (clay-quartz-feldspar) ceramic fired in a wide temperature range between 900 and 1300 deg C. The employed methodology to determine low crystalline and glassy phase abundances is based in a combination of the internal standard method and the use of a nanocrystalline model where the long-range order is lost, respectively. A preliminary sintering characterization was carried out by contraction, density and porosity evolution with the firing temperature. Simultaneous thermo-gravimetric and differential thermal analysis was carried out to elucidate the actual temperature at which the chemical changes occur. Finally, the quantitative analysis based on the Rietveld refinement of the X-ray diffraction patterns was performed. The kaolinite decomposition into metakaolinite was determined quantitatively; the intermediate (980 deg C) spinel type alumino-silicate formation was also quantified; the incongruent fusion of the potash feldspar was observed and quantified together with the final mullitization and the amorphous (glassy) phase formation.The methodology used to analyze the X-ray diffraction patterns proved to be suitable to evaluate quantitatively the thermal transformations that occur in a complex system like the triaxial ceramics. The evaluated phases can be easily correlated with the processing variables and materials
Quantitative firing transformations of a triaxial ceramic by X-ray diffraction methods
M. S. Conconi
2014-12-01
Full Text Available The firing transformations of traditional (clay based ceramics are of technological and archeological interest, and are usually reported qualitatively or semiquantitatively. These kinds of systems present an important complexity, especially for X-ray diffraction techniques, due to the presence of fully crystalline, low crystalline and amorphous phases. In this article we present the results of a qualitative and quantitative X-ray diffraction Rietveld analysis of the fully crystalline (kaolinite, quartz, cristobalite, feldspars and/or mullite, the low crystalline (metakaolinite and/or spinel type pre-mullite and glassy phases evolution of a triaxial (clay-quartz-feldspar ceramic fired in a wide temperature range between 900 and 1300 ºC. The employed methodology to determine low crystalline and glassy phase abundances is based in a combination of the internal standard method and the use of a nanocrystalline model where the long-range order is lost, respectively. A preliminary sintering characterization was carried out by contraction, density and porosity evolution with the firing temperature. Simultaneous thermo-gravimetric and differential thermal analysis was carried out to elucidate the actual temperature at which the chemical changes occur. Finally, the quantitative analysis based on the Rietveld refinement of the X-ray diffraction patterns was performed. The kaolinite decomposition into metakaolinite was determined quantitatively; the intermediate (980 ºC spinel type alumino-silicate formation was also quantified; the incongruent fusion of the potash feldspar was observed and quantified together with the final mullitization and the amorphous (glassy phase formation.The methodology used to analyze the X-ray diffraction patterns proved to be suitable to evaluate quantitatively the thermal transformations that occur in a complex system like the triaxial ceramics. The evaluated phases can be easily correlated with the processing variables and
Second-Order Wave Diffraction Around 3-D Bodies by A Time-Domain Method
柏威; 滕斌
2001-01-01
A time-domain method is applied to simulate nonlinear wave diffraction around a surface piercing 3-D arbitrary body. The method involves the application of Taylor series expansions and the use of perturbation procedure to establish the corresponding boundary value problems with respect to a time-independent fluid domain. A boundary element method based on B-spline expansion is used to calculate the wave field at each time step, and the free surface boundary condition is satisfied to the second order of wave steepness by a numerical integration in time. An artificial damping layer is adopted on the free surface for the removal of wave reflection from the outer boundary. As an illustration, the method is used to compute the second-order wave forces and run-up on a surface-piercing circular cylinder. The present method is found to be accurate, computationally efficient, and numerically stable.
Hirose, Makoto; Shimomura, Kei; Suzuki, Akihiro; Burdet, Nicolas; Takahashi, Yukio
2016-05-30
The sample size must be less than the diffraction-limited focal spot size of the incident beam in single-shot coherent X-ray diffraction imaging (CXDI) based on a diffract-before-destruction scheme using X-ray free electron lasers (XFELs). This is currently a major limitation preventing its wider applications. We here propose multiple defocused CXDI, in which isolated objects are sequentially illuminated with a divergent beam larger than the objects and the coherent diffraction pattern of each object is recorded. This method can simultaneously reconstruct both objects and a probe from the coherent X-ray diffraction patterns without any a priori knowledge. We performed a computer simulation of the prposed method and then successfully demonstrated it in a proof-of-principle experiment at SPring-8. The prposed method allows us to not only observe broad samples but also characterize focused XFEL beams.
Sæther, Mathias; Ersland, Geir
2016-01-01
Acoustic material parameters of gas hydrate bearing porous rocks are important for evaluation of methods to exploit the vast methane gas resources present in the earth's subsurface, potentially combined with CO2 injection. A solid buffer method for measuring changes of the compressional wave velocity in porous rocks with changing methane hydrate contents under high-pressure hydrate-forming conditions, is tested and evaluated with respect to effects influencing on the measurement accuracy. The limited space available in the pressure chamber represents a challenge for the measurement method. Several effects affect the measured compressional wave velocity, such as interference from sidewall reflections, diffraction effects, the amount of torque (force) used to achieve acoustic coupling, and water draining of the watersaturated rock specimen. Test measurements using the solid buffer method in the pressure chamber at atmospheric conditions are compared to independent measurements using a water-bath immersion measu...
A novel method for extracting acoustic nonlinearity parameters with diffraction corrections
Jeong, Hyunjo [Wonkwang University, Iksan (Korea, Republic of); Zhang, Shuzeng; Li, Xiongbing [Central South University, Changsha (China)
2016-02-15
A new method for determining the acoustic nonlinearity parameter using a nonlinear data fitting method is proposed. Based on the quasilinear theory of Westervelt's equation, the fundamental and second harmonic beam fields are expressed as a multi-Gaussian beam model that separates the attenuation and diffraction correction terms from the propagating plane waves. A nonlinear least squares curve fitting method is developed to extract the nonlinearity parameter without knowing the attenuation coefficients of the material being tested. The nonlinearity parameter of water is determined using the proposed method, and the result agrees well with the literature value. The attenuation coefficients of the fundamental and the second harmonic are also extracted and discussed.
Carretero, Luis; Acebal, Pablo; Blaya, Salvador
2013-04-01
We present a complete electromagnetic study, which includes electric, magnetic, and Poynting vector fields of diffracted convergent spherical waves under all possible polarization states compatible with Maxwell's equations. Exit pupil boundary conditions for these polarizations were obtained by means of Hertz potentials. Using these boundary conditions, two-dimensional Luneburg diffraction integrals for the three components of electric and magnetic fields were formulated, and after some approximations, we showed that the complete electromagnetic description of the inhomogeneous polarization states of spherical waves is reduced to the knowledge of seven one-dimensional integrals. The consistency of the method was tested by comparison with other previously reported methods for linearly polarized (LP), TE, and TM polarizations, while the versatility of the method was showed with the study of nonstandard polarization states, for example, that resulting from the superposition of TE and TM dephased spherical waves, which shows a helicoidal behavior of the Poynting vector at the focalization region, or the inhomogeneous LP state that exhibits a ring structure for the Poynting vector at the focal plane.
Scanning coherent diffractive imaging methods for actinic extreme ultraviolet mask metrology
Helfenstein, Patrick; Mohacsi, Istvan; Rajeev, Rajendran; Ekinci, Yasin
2016-07-01
For the successful implementation of extreme ultraviolet (EUV) lithography in the upcoming technology nodes, a major challenge to overcome is the stable and reliable detection and characterization of mask defects. We have recently presented a reflective mode EUV mask scanning lensless imaging tool (RESCAN) which was installed at the XIL-II beamline of the swiss light source and showed reconstructed aerial images of test patterns on EUV masks. RESCAN uses scanning coherent diffractive imaging (SCDI) methods to obtain actinic aerial images of EUV photomasks and was designed for 80 nm onmask resolution. Our SCDI algorithm reconstructs the measured sample by iteratively solving the phase problem using overdetermined diffraction data gathered by scanning across the specimen with a finite illumination. It provides the phase and amplitude aerial images of EUV photomasks with high resolution without the need to use high numerical aperture (NA) lenses. Contrary to scanning microscopy and full-field microscopy, where the resolution is limited by the spot size or NA of the lens, the achievable resolution with our method depends on the detector noise and NA of the detector. To increase the resolution of our tool, we upgraded RESCAN with a detector and algorithms. Here, we present the results obtained with the tool that is capable of up to 40-nm onmask resolution. We believe that the realization of our prototype marks a significant step toward overcoming the limitations imposed by methods relying on imaging optics and shows a viable solution for actinic mask metrology.
CHARACTERIZATION OF POLYCRYSTALLINE GRADIENT THIN FILM BY X-RAY DIFFRACTION METHOD
LI BIN; TAO KUN; LIU XING-TAO; MIAO WEI; FENG TAO; YANG NING; LIU BAI-XIN
2000-01-01
A direct method is proposed to quantitatively characterize the structural depth profiles emerged in the polycrystalline thin films based on the information obtained by X-ray diffraction (XRD) with various incident angles and treated by a numerical procedure known as the constrained linear inversion. It should be noted that the proposed method was neither sensitive to the random noise appearing in experiment nor to the error originated from the measured thickness of the specimen. To testify the validity of the method, XRD measurements were carried out on a specially designed Pd/Ag bilayer sample, which was annealed at 490 ℃ for 20min, and the depth profiles were accordingly calculated through resolving the obtained XRD patterns. The elemental concentration depth profile of the Pd/Ag bilayer sample was in turn calculated from the resolved patterns, which was in good agreement with those obtained by Auger electron analysis on the annealed sample.
Novel method for determining stacking disorder degree in hexagonal graphite by X-ray diffraction
LI Hui; YANG ChuanZheng; LIU Fang
2009-01-01
The broadening effect of stacking disorder in hexagonal graphite is found experimentally by XRD to be identical to that of stacking faults in hexagonal-closed-packing (HCP) structure, which has obvious selective broadening effect. The Langford's method for dealing with the twofold broadening effects of the crystallite-faults in hexagonal ZnO has been extended in this paper, and then applied to the deter-mination of stacking disorder in 2H-graphite, which indicates that our extension method is convenient to both the experiments and data process, and may be generalized further. Two stacking disorder model in 2H-graphite and data processing method have been proposed in this study. The two disorder degrees of PAB and PABC can be computed when the two reliable FWHMs of 101 and 102 diffraction peaks were obtained.
Novel method for determining stacking disorder degree in hexagonal graphite by X-ray diffraction
无
2009-01-01
The broadening effect of stacking disorder in hexagonal graphite is found experimentally by XRD to be identical to that of stacking faults in hexagonal-closed-packing(HCP) structure,which has obvious selective broadening effect.The Langford’s method for dealing with the twofold broadening effects of the crystallite-faults in hexagonal ZnO has been extended in this paper,and then applied to the deter-mination of stacking disorder in 2H-graphite,which indicates that our extension method is convenient to both the experiments and data process,and may be generalized further.Two stacking disorder model in 2H-graphite and data processing method have been proposed in this study.The two disorder degrees of PAB and PABC can be computed when the two reliable FWHMs of 101 and 102 diffraction peaks were obtained.
An Improved X-ray Diffraction Method For Cellulose Crystallinity Measurement
Ju, Xiaohui; Bowden, Mark E.; Brown, Elvie E.; Zhang, Xiao
2015-06-01
We show in this work a modified X-ray diffraction method to determine cellulose crystallinity index (CrI). Nanocrystalline cellulose (NCC) dervided from bleached wood pulp was used as a model substrate. Rietveld refinement was applied with consideration of March-Dollase preferred orientation at the (001) plane. In contrast to most previous methods, three distinct amorphous peaks identified from new model samples which are used to calculate CrI. A 2 theta range from 10° to 75° was found to be more suitable to determine CrI and crystallite structural parameters such as d-spacing and crystallite size. This method enables a more reliable measurement of CrI of cellulose and may be applicable to other types of cellulose polymorphs.
An improved X-ray diffraction method for cellulose crystallinity measurement.
Ju, Xiaohui; Bowden, Mark; Brown, Elvie E; Zhang, Xiao
2015-06-05
We show in this work a modified X-ray diffraction method to determine cellulose crystallinity index (CrI). Nanocrystalline cellulose (NCC) derived from bleached wood pulp was used as a model substrate. Rietveld refinement was applied with consideration of March-Dollase preferred orientation at the (001) plane. In contrast to most previous methods, three distinct amorphous peaks identified from new model samples which used to calculate CrI. A 2 theta range from 10° to 75° was found to be more suitable to determine CrI and crystallite structural parameters such as d-spacing and crystallite size. This method enables a more reliable measurement of CrI of cellulose and may be applicable to other types of cellulose polymorphs.
The Laue diffraction method to search for a neutron EDM. Experimental test of the sensitivity
Fedorov, V.V. E-mail: vfedorov@mail.pnpi.spb.ru; Lapin, E.G.; Lelievre-Berna, E.; Nesvizhevsky, V.V.; Petoukhov, A.K.; Semenikhin, S.Yu.; Soldner, T.; Tasset, F.; Voronin, V.V
2005-01-01
The feasibility of an experiment to search for the neutron electric dipole moment (EDM) by Laue diffraction in crystals without a center of symmetry was tested. At the PF1A beam of the ILL reactor a record time delay of {tau}{approx}2 ms for the passage of neutrons through a quartz crystal was reached for the (1 1 0) plane and diffraction angles equal to 88.5 degrees. That corresponds to an effective neutron velocity in the crystal of 20 m/s, while the velocity of the incident neutron was 800 m/s. It was shown experimentally that the value {tau}N{sup 1/2}, determining the method's sensitivity, has a maximum for the Bragg angle equal to 86 deg. The results allow us to estimate the statistical sensitivity of the method for the neutron EDM. For the PF1B beam of the ILL reactor the sensitivity can reach {approx}6x10{sup -25} e cm per day for the available quartz crystal.
Munshi, Parthapratim; Madsen, Anders Ø; Spackman, Mark A;
2008-01-01
Anisotropic displacement parameters (ADPs) are compared for H atoms estimated using three recently described procedures, both among themselves and with neutron diffraction results. The results convincingly demonstrate that all methods are capable of giving excellent results for several benchmark...
Residual stresses in LENS[reg] components using neutron diffraction and contour method
Rangaswamy, P. [Los Alamos National Laboratory, Materials Science and Technology, Los Alamos, NM 87545 (United States)]. E-mail: partha@lanl.gov; Griffith, M.L. [Sandia National Laboratories, Albuquerque, NM 87185 (United States); Prime, M.B. [Los Alamos National Laboratory, Materials Science and Technology, Los Alamos, NM 87545 (United States); Holden, T.M. [Los Alamos National Laboratory, Materials Science and Technology, Los Alamos, NM 87545 (United States); Rogge, R.B. [National Research Council of Canada, Chalk River Laboratories Chalk River, Ont., K0J 1J0 (Canada); Edwards, J.M. [Los Alamos National Laboratory, Materials Science and Technology, Los Alamos, NM 87545 (United States); Sebring, R.J. [Los Alamos National Laboratory, Materials Science and Technology, Los Alamos, NM 87545 (United States)
2005-06-15
During manufacturing of components by laser engineered net shaping (LENS[reg]), a solid freeform fabrication process, the introduction of residual stresses causes deformation or in the worst case, cracking. The origin is attributed to thermal transients encountered during solidification. In the absence of reliable predictive models for the residual stresses, measurements are necessary. Residual stresses were measured in LENS[reg] samples of 316 stainless steel and Inconel 718 having simple geometrical shapes by both neutron diffraction and the contour methods. The results by the two methods are compared and discussed in the context of the growth direction during the LENS[reg] process. Surprisingly, the residual stresses are practically uni-axial, with high stresses in the growth direction.
Dantz, D; Reimers, W
1999-01-01
The residual stress state in microwave sintered metal-ceramic functionally graded materials (FGM) consisting of 8Y-ZrO/sub 2//Ni and 8Y-ZrO/sub 2//NiCr8020, respectively, was analysed by non- destructive diffraction methods. In $9 order to get knowledge of the complete residual stress state in the near surface region as well as in the interior of the material, complementary methods were applied. Whereas the surface was characterised by X-ray techniques using $9 conventional sources, the stresses within the bulk of the material were investigated by means of high energy synchrotron radiation. The stress state was found to obey the differences in the coefficients of thermal expansion $9 (micro-stresses) on the one hand and the inhomogeneous cooling conditions (macrostresses) on the other hand. (7 refs).
Tamari, V F
2003-01-01
De-diffraction (DD), a new procedure to totally cancel diffraction effects from wave-fields is presented, whereby the full field from an aperture is utilized and a truncated geometrical field is obtained, allowing infinitely sharp focusing and non-diverging beams. This is done by reversing a diffracted wave-fields' direction. The method is derived from the wave equation and demonstrated in the case of Kirchhoff's integral. An elementary bow-wavelet is described and the DD process is related to quantum and relativity theories.
Tóth, Gergely
2007-08-22
A large part of statistical mechanics is concerned with the determination of condensed matter structure on the basis of known microscopic interactions. An increasing emphasis has been put on the opposite situation in the last decades as well, where structural data, e.g. pair-distance statistics, are known from diffraction experiments, and one looks for the corresponding interaction functions. The solution of this inverse problem was searched for within the integral equation theories of condensed matter in the early investigations, but before long computer simulation assisted methods were suggested. The interest in this field showed an increasing trend after some attempts appeared in the late 1980s. Several methods were published in the 1990s, and one-two methods appear annually nowadays. In this paper a comprehensive and historical overview is given on the solution of the inverse problem with simulation assisted methods. Emphasis is put on the theoretical grounds of the methods, on the choice of possible input structural functions, on the numerically local or global schemes of the potential modifications, on some advantages and limits of the different methods and on the scientific impact of the methods.
Search for a Light Higgs Boson in Central Exclusive Diffraction: Method and Detectors
Kalliopuska, Juha
By detecting leading protons produced in the Central Exclusive Diffractive process, p+p → p+X+p, one can measure the missing mass, and scan for possible new particle states such as the Higgs boson. This process augments - in a model independent way - the standard methods for new particle searches at the Large Hadron Collider (LHC) and will allow detailed analyses of the produced central system, such as the spin-parity properties of the Higgs boson. The exclusive central diffractive process makes possible precision studies of gluons at the LHC and complements the physics scenarios foreseen at the next e+e− linear collider. This thesis first presents the conclusions of the first systematic analysis of the expected precision measurement of the leading proton momentum and the accuracy of the reconstructed missing mass. In this initial analysis, the scattered protons are tracked along the LHC beam line and the uncertainties expected in beam transport and detection of the scattered leading protons are accounte...
Development of next-generation nanolithography methods to break the optical diffraction limit
Luo, Huiwen; Wang, Liang; Qin, Jin; Ding, Li
2016-10-01
Photolithography has been one of the most important technologies in modern society, especially in semiconductor industry. However, due to the limitation of optical diffraction, this technique becomes more and more complex and expensive. In this paper, we experimentally study two promising techniques, near-field scanning optical lithography and nanoimprint lithography, which both have been proved to be alternatives to photolithography, and achieve sub-wavelength resolution. Taking advantage of bowtie apertures, near-field scanning optical lithography can achieve high resolution beyond the Rayleigh diffractive limit. Here, we report a novel method to fabricate bowtie aperture with sub-15 nm gap, producing highly confined electric near-field by localized surface plasmon (LSP) excitation and nanofocusing of the closely tapered gap, and obtain lithography results with 21 nm resolution (FWHM).We also develop a new plate-to-roll nanoimprint lithography (P2RNIL). Compared with plate-to-plate nanoimprint lithography (P2PNIL) and roll-to-plate nanoimprint lithography (R2PNIL), it avoids cylinder template fabrication in P2RNIL and significantly improves the productivity in P2PNIL. Our P2RNIL system can realize large-area nanoimprint continuously with high resolution and high speed.
ZHANG Hongfang; YU Li; ZHANG Lihua; MO Zhishen; MU Zhongchen
1995-01-01
Pure X-ray diffraction profiles have been analysed for polyamide 1010 and PA1010-BMI system by means of multipeak fitting resolution of X-ray diffraction. The methods of variance and fourth moment have been applied to determine the particle size and strain values for the paracrystalline materials. The results indicated that both variance and fourth moment of X-ray diffraction line profile yielded approximately the same values of the particle size and the strain. The particle sizes of (100) reflection have been found to decrease with increasing BMI content, whereas the strain values increased.
Study of carbon steel corrosion layer by X-ray diffraction and absorption methods
Malinovschi, V. [University of Pitesti, Research Center for Advanced Materials, Targul din Vale Street, No.1, 110040 Pitesti, Arges (Romania)]. E-mail: malinov@electra.upit.ro; Ducu, C. [University of Pitesti, Research Center for Advanced Materials, Targul din Vale Street, No.1, 110040 Pitesti, Arges (Romania); Aldea, N. [National Institutes for Research and Development for Isotopic and Molecular Technologies, P.O. Box 700, 3400 Cluj-Napoca (Romania); Fulger, M. [Institutes for Nuclear Research, P.O. Box 0402, 0300 Pitesti (Romania)
2006-06-30
To predict the behavior of structural metallic materials into the CANDU nuclear reactor, the oxide films on the surface were growth in a controlled manner using an autoclave simulating the environment specific to the nuclear reactor. In order to establish the structural changes of the oxide films, the X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectrometry (EDX) and extended X-ray absorption fine structure spectroscopy (EXAFS) analysis were used. Analysis performed showed differences in morphology of the oxide films from carbon steel samples exposed under different conditions corresponding to primary and secondary circuits in CANDU nuclear reactor. The oxide phases were identified and the thicknesses of the films were calculated. The agreement between results obtained by these methods was discussed according to the microstructure of the samples.
An iterative Rankine boundary element method for wave diffraction of a ship with forward speed
何广华
2014-01-01
A 3-D time-domain seakeeping analysis tool has been newly developed by using a higher-order boundary element method with the Rankine source as the kernel function. An iterative time-marching scheme for updating both kinematic and dynamic free-surface boundary conditions is adopted for achieving numerical accuracy and stability. A rectangular computational domain moving with the mean speed of ship is introduced. A damping beach at the outer portion of the truncated free surface is installed for satisfying the radiation condition. After numerical convergence checked, the diffraction unsteady problem of a Wigley hull traveling with a constant forward speed in waves is studied. Extensive results including wave exciting forces, wave patterns and pressure distributions on the hull are presented to validate the efficiency and accuracy of the proposed 3-D time-domain iterative Rankine BEM approach. Computed results are compared to be in good agreement with the corresponding experimental data and other published numerical solutions.
Kotov, V. M.; Averin, S. V.; Kuznetsov, P. I.; Kotov, E. V.
2017-07-01
A method is proposed for two-dimensional spatial frequency filtration based on acousto-optic (AO) diffraction of two eigenmodes of a crystal on a single acoustic wave. It is shown that AO filters, based on the use of such diffraction, ensure the enhancement of the two-dimensional image edge during its optical Fourier processing. The main theoretical conclusions are experimentally confirmed using an AO paratellurite filter.
Study of cell classification with a diffraction imaging flow cytometer method
Dong, Ke; Jacobs, Kenneth M.; Sa, Yu; Feng, Yuanming; Lu, Jun Q.; Hu, Xin-Hua
2011-02-01
With a diffraction imaging flow cytometer, we have acquired and analyzed the diffraction imaging data from 5 types of cultured cells. A gray level co-occurrence matrix (GLCM) algorithm was applied to extract the interference fringe related textures from the diffraction image data. Six GLCM parameters were chosen and imported into a support vector machine algorithm for automated classification of about 20 cells for each of the 5 cell types. We found that the GLCM based algorithm has the capacity for rapid processing of diffraction images and yield feature parameters for subsequent cell classification except the T- and B-lymphocytes.
Combining the multilevel fast multipole method with the uniform geometrical theory of diffraction
A. Tzoulis
2005-01-01
Full Text Available The presence of arbitrarily shaped and electrically large objects in the same environment leads to hybridization of the Method of Moments (MoM with the Uniform Geometrical Theory of Diffraction (UTD. The computation and memory complexity of the MoM solution is improved with the Multilevel Fast Multipole Method (MLFMM. By expanding the k-space integrals in spherical harmonics, further considerable amount of memory can be saved without compromising accuracy and numerical speed. However, until now MoM-UTD hybrid methods are restricted to conventional MoM formulations only with Electric Field Integral Equation (EFIE. In this contribution, a MLFMM-UTD hybridization for Combined Field Integral Equation (CFIE is proposed and applied within a hybrid Finite Element - Boundary Integral (FEBI technique. The MLFMM-UTD hybridization is performed at the translation procedure on the various levels of the MLFMM, using a far-field approximation of the corresponding translation operator. The formulation of this new hybrid technique is presented, as well as numerical results.
Petrov, Nikolay V; Pavlov, Pavel V; Malov, A N
2013-06-30
Using the equations of scalar diffraction theory we consider the formation of an optical vortex on a diffractive optical element. The algorithms are proposed for simulating the processes of propagation of spiral wavefronts in free space and their reflections from surfaces with different roughness parameters. The given approach is illustrated by the results of numerical simulations. (propagation of wave fronts)
The method of the generalised eikonal new approaches in the diffraction theory
Vesnik, Michael V
2015-01-01
The diffraction theory describes scattering mechanism for waves of various physical nature, scattered on objects of different shapes and composed of different materials. Using the diffraction theory, one can study a number of important effects connected with wave propagation, and create objects with given properties.
Moss, Grant; Feil, Dirk
1981-01-01
Electrostatic interaction is often an important part of the total interaction between molecules. It depends on the electron density distribution in the participating molecules, which can, in principle, be determined by X-ray diffraction methods. A method is described to calculate the electrostatic i
Heger, G. [Rheinisch-Westfaelische Technische Hochschule Aachen, Inst. fuer Kristallographie, Aachen (Germany)
1996-12-31
X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (author) 15 figs., 1 tab., 10 refs.
Keshri, S.; Murphy, K.; Toal, V.; Naydenova, I.; Martin, S.
2017-05-01
A volume cylindrical holographic lens is fabricated in a photopolymer material to obtain a simple, lightweight and inexpensive lens which can collimate a diverging light beam. For a collimated beam, it is necessary to have uniform intensity across the beam diameter and to achieve equal diffraction efficiency for different regions of the cylindrical holographic lens, two methods are discussed. In the first method, the diffraction efficiency is improved by modifying the recording geometry in order to operate at a range of spatial frequencies for which the photopolymer provides higher diffraction efficiency. In the second method, the recording has been carried out with varying laser power and exposure time while keeping the exposure energy constant, in order to improve the material's performance at the lower spatial frequencies. The second approach increases the uniformity of diffraction efficiency across the Holographic optical elements (HOEs) even when low spatial frequency components are present. The results obtained provide cylindrical holographic lenses with overall higher and uniform diffraction efficiency. This type of lens has the potential to be used in combination with LED sources and different lighting applications.
Woodruff, D.P. [Physics Department, University of Warwick, Coventry (United Kingdom); Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin (Germany); Baumgaertel, P.; Hoeft, J.T.; Kittel, M.; Polcik, M. [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin (Germany)
2001-11-26
As part of a programme of full quantitative adsorbate structure determinations on surfaces using scanned-energy-mode photoelectron diffraction (PhD) combined with multiple-scattering simulations, direct data-inversion methods based on Fourier transforms and the so-called projection method have been tested on experimental data from more than 30 adsorbate/substrate systems. The results highlight both strengths and weaknesses, many of which are likely to be generic in the use of direct methods. The most obvious feature is the reduced value of the methods for systems involving low emitter site symmetry or multiple-site occupation, but some specific problems attributed to the elastic scattering cross-section 'signatures' of different elemental species and cases in which multiple scattering proves to be especially important are also discussed. A combination of these problems in a particular system can lead to complete failure, although even in these cases the results are unlikely to be actively misleading as regards the correct structure. (author)
Rius, Jordi
2011-01-01
A new type of direct methods (DM) called Patterson-function DM are presented that directly explore the Patterson instead of the modulus function. Since they work with the experimental intensities, they are particularly well suited for handling powder diffraction data. These methods are based on the maximization of the sum function S(P) ∝ ∑H(I(H)-)G(-H)(Φ) in terms of the Φ phases of the structure factors. The quantity accessible from the experiment is I(H), the equidistributed multiplet intensity of reflection H, and is the average intensity taken over all non-systematically absent reflections. G(-H)(Φ) is the calculated structure-factor amplitude of the squared structure that includes the positivity and the atomicity of the density function in its definition. The S(P) sum function can be optimized with the Patterson-function tangent formula (TF) using a variant of the S-FFT algorithm [Rius et al. (2007), Acta Cryst. A63, 131-134]. It is important that overlapped reflections also participate in the phase refinement, so that not only the resolved reflections but the whole pattern contribute decisively to the refinement. The increase in effective data resolution minimizes Fourier series termination effects and improves the accuracy of G(Φ). The Patterson-function TF has been applied to synchrotron powder data of various organic compounds. In all cases the molecules were easily identified in the respective Fourier maps. By way of illustration the method is applied to synchrotron powder data of a dimer formed by 30 symmetry-independent non-H atoms. Since single-crystal data may be regarded as overlap-free powder data, it is clear that Patterson-function DM can cope with powder and single-crystal data.
Structural refinement of artificial superlattices by the X-ray diffraction method
Ishibashi, Y; Tsurumi, T
1999-01-01
This paper reports a structural refinement of BaTiO sub 3 (BTO)/SrTiO sub 3 (STO) artificially superstructured thin films. The refinement was achieved by taking into account the effect of interdiffusion between BTO and STO. The samples were prepared by a molecular-beam epitaxy method on SrTiO sub 3 (001) substrate at 600 .deg. C. The phonon model was employed to simulate the X-ray diffraction (XRD) profiles. A discrepancy was observed in the intensities of the satellite peaks when the effect of the interdiffusion between BTO and STO was not incorporated in the simulation. In successive simulations, the concentration profile due to the interdiffusion was first calculated according to Fick's second law, and then the coefficients of the Fourier series describing the lattice distortion and the modulation of the structure factor were determined. The XRD profiles thus simulated almost completely agreed with those observed. This indicates that XRD analysis with the calculation process proposed in this study will ena...
Xia, Donghui [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China); Huang, Mei [Southwestern Institute of Physics, 610041 Chengdu (China); Wang, Zhijiang, E-mail: wangzj@hust.edu.cn [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China); Zhang, Feng [Southwestern Institute of Physics, 610041 Chengdu (China); Zhuang, Ge [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China)
2016-10-15
Highlights: • The integral staggered point-matching method for design of polarizers on the ECH systems is presented. • The availability of the integral staggered point-matching method is checked by numerical calculations. • Two polarizers are designed with the integral staggered point-matching method and the experimental results are given. - Abstract: The reflective diffraction gratings are widely used in the high power electron cyclotron heating systems for polarization strategy. This paper presents a method which we call “the integral staggered point-matching method” for design of reflective diffraction gratings. This method is based on the integral point-matching method. However, it effectively removes the convergence problems and tedious calculations of the integral point-matching method, making it easier to be used for a beginner. A code is developed based on this method. The calculation results of the integral staggered point-matching method are compared with the integral point-matching method, the coordinate transformation method and the low power measurement results. It indicates that the integral staggered point-matching method can be used as an optional method for the design of reflective diffraction gratings in electron cyclotron heating systems.
Zhao, Sipei; Qiu, Xiaojun; Cheng, Jianchun
2015-09-01
This paper proposes a different method for calculating a sound field diffracted by a rigid barrier based on the integral equation method, where a virtual boundary is assumed above the rigid barrier to divide the whole space into two subspaces. Based on the Kirchhoff-Helmholtz equation, the sound field in each subspace is determined with the source inside and the boundary conditions on the surface, and then the diffracted sound field is obtained by using the continuation conditions on the virtual boundary. Simulations are carried out to verify the feasibility of the proposed method. Compared to the MacDonald method and other existing methods, the proposed method is a rigorous solution for whole space and is also much easier to understand.
Solution of Ge(111)-(4x4)-Ag structure using direct methods applied to X-ray diffraction data
Collazo-Davila, C.; Grozea, D.; Marks, L.D.
1998-01-01
A structure model for the Ge(111)-(4 x 4)-Ag surface is proposed. The model was derived by applying direct methods to surface X-ray diffraction data. It is a missing top layer reconstruction with six Ag atoms placed on Ge substitutional sites in one triangular subunit of the surface unit cell...
Silva, R. P.; Ambrósio, M. F. S.; Epprecht, E. K.; Avillez, R. R.; Achete, C. A.; Kuznetsov, A.; Visentin, L. C.
2016-07-01
In this study, different structural and microstructural models applied to X-ray analysis of powder diffraction data of polymorphic mixtures of known concentrations of Tibolone were investigated. The X-ray data obtained in different diffraction instruments were analysed via Rietveld method using the same analytical models. The results of quantitative phase analysis show that regardless of the instrument used, the values of the calculated concentrations follow the same systematics with respect to the final errors. The strategy to select a specific analytical model that leads to lower measurement errors is here presented.
A method of rapidly obtaining concentration-depth profiles from X-ray diffraction
Wiedemann, K. E.; Unnam, J.
1985-01-01
A broadened diffraction peak, or intensity band, is observed in the case diffraction from a nonhomogeneous phase in which the variations in compositions result in a range of lattice spacings. An intriguing aspect regarding the relationship between the X-ray diffraction band and the composition-depth profile is the hypersensitivity of the intensity band to the shape of the profile. A number of investigators have sought to use this sensitivity to construct high-precision profiles. Difficulties encountered are related to complications due to intensity broadening, and prohibitive computational requirements. Simulation techniques have provided the most accurate interpretation of the intensity band. However, the involved calculations have been prohibitively long. The present study discusses a technique which has simple computational requirements and is as accurate and flexible as the simulation techniques.
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.
Fung, R; Shneerson, V L; Lyman, P F; Parihar, S S; Johnson-Steigelman, H T; Saldin, D K
2007-05-01
The discovery that the phase problem of diffraction from non-periodic objects may be solved by oversampling the diffraction intensities in reciprocal space with respect to a Nyquist criterion has opened up new vistas for structure determination by diffraction methods. A similar principle may be applied to the problem of surface X-ray diffraction (SXRD), where, owing to the breaking of a crystal periodicity normal to its surface, diffraction data consist of a set of superstructure rods (SRs) due to scattering from the parts of the surface whose structure is different from that of the truncated bulk and of crystal truncation rods (CTRs), formed by interfering contributions from the surface and the bulk. A phase and amplitude recovery and diffraction image generation method (PARADIGM) is described that provides a prescription for finding the unmeasured amplitudes and phases of the surface contributions to the CTRs in addition to the phases of the SRs, directly from the diffraction data. The resulting ;diffraction image' is the basis of a determination of the previously unknown multidomain structure of Sb/Au(110)-radical3xradical3R54.7 degrees.
Fung,R.; Shneerson, V.; Lyman, P.; Parihar, S.; Johnson-Steigelman, H.; Saldin, D.
2007-01-01
The discovery that the phase problem of diffraction from non-periodic objects may be solved by oversampling the diffraction intensities in reciprocal space with respect to a Nyquist criterion has opened up new vistas for structure determination by diffraction methods. A similar principle may be applied to the problem of surface X-ray diffraction (SXRD), where, owing to the breaking of a crystal periodicity normal to its surface, diffraction data consist of a set of superstructure rods (SRs) due to scattering from the parts of the surface whose structure is different from that of the truncated bulk and of crystal truncation rods (CTRs), formed by interfering contributions from the surface and the bulk. A phase and amplitude recovery and diffraction image generation method (PARADIGM) is described that provides a prescription for finding the unmeasured amplitudes and phases of the surface contributions to the CTRs in addition to the phases of the SRs, directly from the diffraction data. The resulting 'diffraction image' is the basis of a determination of the previously unknown multidomain structure of Sb/Au(110)-{radical}3 x 3R54.7{sup o}.
American Society for Testing and Materials. Philadelphia
2010-01-01
1.1 This test method covers the preparation and use of a flat stress-free test specimen for the purpose of checking the systematic error caused by instrument misalignment or sample positioning in X-ray diffraction residual stress measurement, or both. 1.2 This test method is applicable to apparatus intended for X-ray diffraction macroscopic residual stress measurement in polycrystalline samples employing measurement of a diffraction peak position in the high-back reflection region, and in which the θ, 2θ, and ψ rotation axes can be made to coincide (see Fig. 1). 1.3 This test method describes the use of iron powder which has been investigated in round-robin studies for the purpose of verifying the alignment of instrumentation intended for stress measurement in ferritic or martensitic steels. To verify instrument alignment prior to stress measurement in other metallic alloys and ceramics, powder having the same or lower diffraction angle as the material to be measured should be prepared in similar fashion...
Li, Chufeng; Schmidt, Kevin; Spence, John C
2015-07-01
We compare three schemes for time-resolved X-ray diffraction from protein nanocrystals using an X-ray free-electron laser. We find expressions for the errors in structure factor measurement using the Monte Carlo pump-probe method of data analysis with a liquid jet, the fixed sample pump-probe (goniometer) method (both diffract-and-destroy, and below the safe damage dose), and a proposed two-color method. Here, an optical pump pulse arrives between X-ray pulses of slightly different energies which hit the same nanocrystal, using a weak first X-ray pulse which does not damage the sample. (Radiation damage is outrun in the other cases.) This two-color method, in which separated Bragg spots are impressed on the same detector readout, eliminates stochastic fluctuations in crystal size, shape, and orientation and is found to require two orders of magnitude fewer diffraction patterns than the currently used Monte Carlo liquid jet method, for 1% accuracy. Expressions are given for errors in structure factor measurement for the four approaches, and detailed simulations provided for cathepsin B and IC3 crystals. While the error is independent of the number of shots for the dose-limited goniometer method, it falls off inversely as the square root of the number of shots for the two-color and Monte Carlo methods, with a much smaller pre-factor for the two-color mode, when the first shot is below the damage threshold.
Yang, Xu; Feng, Yuanming; Liu, Yahui; Zhang, Ning; Lin, Wang; Sa, Yu; Hu, Xin-Hua
2014-07-01
A quantitative method for measurement of apoptosis in HL-60 cells based on polarization diffraction imaging flow cytometry technique is presented in this paper. Through comparative study with existing methods and the analysis of diffraction images by a gray level co-occurrence matrix algorithm (GLCM), we found 4 GLCM parameters of contrast (CON), cluster shade (CLS), correlation (COR) and dissimilarity (DIS) exhibit high sensitivities as the apoptotic rates. It was further demonstrated that the CLS parameter correlates significantly (R(2) = 0.899) with the degree of nuclear fragmentation and other three parameters showed a very good correlations (R(2) ranges from 0.69 to 0.90). These results demonstrated that the new method has the capability for rapid and accurate extraction of morphological features to quantify cellular apoptosis without the need for cell staining.
Method for improve x-ray diffraction determinations of residual stress in nickel-base alloys
Berman, Robert M.; Cohen, Isadore
1990-01-01
A process for improving the technique of measuring residual stress by x-ray diffraction in pieces of nickel-base alloys which comprises covering part of a predetermined area of the surface of a nickel-base alloy with a dispersion, exposing the covered and uncovered portions of the surface of the alloy to x-rays by way of an x-ray diffractometry apparatus, making x-ray diffraction determinations of the exposed surface, and measuring the residual stress in the alloy based on these determinations. The dispersion is opaque to x-rays and serves a dual purpose since it masks off unsatisfactory signals such that only a small portion of the surface is measured, and it supplies an internal standard by providing diffractogram peaks comparable to the peaks of the nickel alloy so that the alloy peaks can be very accurately located regardless of any sources of error external to the sample.
Method for improving x-ray diffraction determinations of residual stress in nickel-base alloys
Berman, R.M.; Cohen, I.
1988-04-26
A process for improving the technique of measuring residual stress by x-ray diffraction in pieces of nickel-base alloys is discussed. Part of a predetermined area of the surface of a nickel-base alloy is covered with a dispersion. This exposes the covered and uncovered portions of the surface of the alloy to x-rays by way of an x-ray diffractometry apparatus, making x-ray diffraction determinations of the exposed surface, and measuring the residual stress in the alloy based on these determinations. The dispersion is opaque to x-rays and serves a dual purpose, since it masks off unsatisfactory signals such that only a small portion of the surface is measured, and it supplies an internal standard by providing diffractogram peaks comparable to the peaks of the nickel alloy so that the alloy peaks can be very accurately located regardless of any sources of error external to the sample. 2 figs.
Mössbauer, magnetization and X-ray diffraction characterization methods for iron oxide nanoparticles
Gabbasov, Raul, E-mail: gabbasov-raul@yandex.ru [National Research Center “Kurchatov Institute”, Moscow (Russian Federation); Polikarpov, Michael; Cherepanov, Valery [National Research Center “Kurchatov Institute”, Moscow (Russian Federation); Chuev, Michael; Mischenko, Iliya; Lomov, Andrey [Institute of Physics and Technology, Russian Academy of Sciences, Moscow (Russian Federation); Wang, Andrew [Ocean NanoTech. Springdale, AR (United States); Panchenko, Vladislav [National Research Center “Kurchatov Institute”, Moscow (Russian Federation)
2015-04-15
Water soluble magnetite iron oxide nanoparticles with oleic polymer coating and average diameters in the range of 5–25 nm, previously determined by TEM, were characterized using Mössbauer, magnetization and X-ray diffraction measurements. Comparative analysis of the results demonstrated a large diversity of magnetic relaxation regimes. Analysis showed the presence of an additional impurity component in the 25 nm nanoparticles, with principally different magnetic nature at the magnetite core. In some cases, X-ray diffraction measurements were unable to estimate the size of the magnetic core and Mössbauer data were necessary for the correct interpretation of the experimental results. - Highlights: • KV parameter, obtained from Mössbauer spectra can be used for nanoparticle size characterization. • Mössbauer spectra of 10–25 nm nanoparticles can be effectively described by ferromagnetic model. • Surface impurities can cause incorrect nanoparticle size determination.
Design of tracking and detecting lens system by diffractive optical method
Yang, Jiang; Qi, Bo; Ren, Ge; Zhou, Jianwei
2016-10-01
Many target-tracking applications require an optical system to acquire the target for tracking and identification. This paper describes a new detecting optical system that can provide automatic flying object detecting, tracking and measuring in visible band. The main feature of the detecting lens system is the combination of diffractive optics with traditional lens design by a technique was invented by Schupmann. Diffractive lens has great potential for developing the larger aperture and lightweight lens. First, the optical system scheme was described. Then the Schupmann achromatic principle with diffractive lens and corrective optics is introduced. According to the technical features and requirements of the optical imaging system for detecting and tracking, we designed a lens system with flat surface Fresnel lens and cancels the optical system chromatic aberration by another flat surface Fresnel lens with effective focal length of 1980mm, an F-Number of F/9.9 and a field of view of 2ωω = 14.2', spatial resolution of 46 lp/mm and a working wavelength range of 0.6 0.85um. At last, the system is compact and easy to fabricate and assembly, the diffuse spot size and MTF function and other analysis provide good performance.
Hong, Xinguo; Chen, Zhiqiang; Duffy, Thomas S
2012-06-01
In this paper, we report a method of precise and fast absolute x-ray energy calibration over a wide energy range using an iterative x-ray diffraction based method. Although accurate x-ray energy calibration is indispensable for x-ray energy-sensitive scattering and diffraction experiments, there is still a lack of effective methods to precisely calibrate energy over a wide range, especially when normal transmission monitoring is not an option and complicated micro-focusing optics are fixed in place. It is found that by using an iterative algorithm the x-ray energy is only tied to the relative offset of sample-to-detector distance, which can be readily varied with high precision of the order of 10(-5) -10(-6) spatial resolution using gauge blocks. Even starting with arbitrary initial values of 0.1 Å, 0.3 Å, and 0.4 Å, the iteration process converges to a value within 3.5 eV for 31.122 keV x-rays after three iterations. Different common diffraction standards CeO(2), Au, and Si show an energy deviation of 14 eV. As an application, the proposed method has been applied to determine the energy-sensitive first sharp diffraction peak of network forming GeO(2) glass at high pressure, exhibiting a distinct behavior in the pressure range of 2-4 GPa. Another application presented is pair distribution function measurement using calibrated high-energy x-rays at 82.273 keV. Unlike the traditional x-ray absorption-based calibration method, the proposed approach does not rely on any edges of specific elements, and is applicable to the hard x-ray region where no appropriate absorption edge is available.
Investigation of InAs/GaSb-based superlattices by diffraction methods
Ashuach, Y.; Kauffmann, Y.; Lakin, E. [Department of Materials Engineering, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Zolotoyabko, E., E-mail: zloto@tx.technion.ac.i [Department of Materials Engineering, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Grossman, S.; Klin, O.; Weiss, E. [SCD, SemiConductor Devices, P. O. Box 2250, Haifa 31021 (Israel)
2010-02-15
We use high-resolution X-ray diffraction and high-resolution transmission electron microscopy in order to study the strain state, atomic intermixing and layer thicknesses in the MBE-grown GaSb/InSb/InAs/InSb superlattices. Simple and fast metrology procedure is developed, which allows us to obtain the most important technological parameters, such as the thicknesses of the GaSb, InAs and ultra-thin InSb sub-layers, the superlattice period and the fraction of atomic substitutions in the InSb sub-layers.
Gendreau, Keith (Inventor); Martins, Jose Vanderlei (Inventor); Arzoumanian, Zaven (Inventor)
2010-01-01
An X-ray diffraction and X-ray fluorescence instrument for analyzing samples having no sample preparation includes a X-ray source configured to output a collimated X-ray beam comprising a continuum spectrum of X-rays to a predetermined coordinate and a photon-counting X-ray imaging spectrometer disposed to receive X-rays output from an unprepared sample disposed at the predetermined coordinate upon exposure of the unprepared sample to the collimated X-ray beam. The X-ray source and the photon-counting X-ray imaging spectrometer are arranged in a reflection geometry relative to the predetermined coordinate.
Diffraction-based overlay measurement on dedicated mark using rigorous modeling method
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.
Shkryl, Vyacheslav M; Maxwell, Joshua T; Blatter, Lothar A
2012-03-01
Photoactivated probes have gained interest as experimental tools to study intracellular signalling pathways all the way to the molecular level. However technical limitations of the means to activate such compounds have put constraints on their use in spatially highly restricted subcellular areas. The Mosaic digital illumination system uses a high-speed array of individually addressable, tiltable micromirrors to direct continuous-wave laser light onto a specimen with diffraction-limited precision. The system, integrated into a Nikon A1R confocal microscope, was used to uncage Ca²⁺ or IP3 and conduct photobleaching experiments from multiple geometrically complex subcellular regions while simultaneously measuring [Ca²⁺]i with high-speed confocal imaging.
Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor); Elliott, James R. (Inventor)
2009-01-01
A method provides X-ray diffraction (XRD) data suitable for integral detection of a twin defect in a strained or lattice-matched epitaxial material made from components having crystal structures having symme try belonging to different space groups. The material is mounted in a n X-ray diffraction (XRD) system. In one embodiment, the XRD system's goniometer angle Omega is set equal to (Theta(sub B)-Beta) where The ta(sub B) is a Bragg angle for a designated crystal plane of the allo y that is disposed at a non-perpendicular orientation with respect to the {111) crystal plane, and Beta is the angle between the designate d crystal plane and a { 111 } crystal plane of one of the epitaxial components. The XRD system's detector angle is set equal to (Theta(su b B)+Beta). The material can be rotated through an angle of azimuthal rotation Phi about the axis aligned with the material. Using the det ector, the intensity of the X-ray diffraction is recorded at least at the angle at which the twin defect occurs.
Computer simulation tools for X-ray analysis scattering and diffraction methods
Morelhão, Sérgio Luiz
2016-01-01
The main goal of this book is to break down the huge barrier of difficulties faced by beginners from many fields (Engineering, Physics, Chemistry, Biology, Medicine, Material Science, etc.) in using X-rays as an analytical tool in their research. Besides fundamental concepts, MatLab routines are provided, showing how to test and implement the concepts. The major difficult in analyzing materials by X-ray techniques is that it strongly depends on simulation software. This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. It provides to a young student the knowledge that would take more than 20 years to acquire by working on X-rays and relying on the available textbooks. In this book, fundamental concepts in applied X-ray physics are demonstrated through available computer simulation tools. Using MatLab, more than eighty routines are developed for solving the proposed exercises, most of which can be directly used in experimental...
Hendaoui, Nordine; Mani, Aladin; Liu, Ning; Tofail, Syed M.; Silien, Christophe; Peremans, André
2017-01-01
A method is proposed to overcome the diffraction limit of spatial resolution in infrared microscopy. To achieve this, standing waves in an attenuated total reflection configuration were generated to spatially modulate the absorbance of adsorbate vibrational transitions. A numerical simulation was undertaken. It showed that chemical imaging with a spatial resolution of approximately 100 nm is achievable in the case of self-assembled patterns (ofoctdecyltrichlorosilane [CH3-(CH2)17-SiCl3]), when probing the methyl modes located near 3.5 micrometres.
Sirenko, Kostyantyn
2013-07-01
Exact absorbing and periodic boundary conditions allow to truncate grating problems\\' infinite physical domains without introducing any errors. This work presents exact absorbing boundary conditions for 3D diffraction gratings and describes their discretization within a high-order time-domain discontinuous Galerkin finite element method (TD-DG-FEM). The error introduced by the boundary condition discretization matches that of the TD-DG-FEM; this results in an optimal solver in terms of accuracy and computation time. Numerical results demonstrate the superiority of this solver over TD-DG-FEM with perfectly matched layers (PML)-based domain truncation. © 2013 IEEE.
Zichun Le; Kai Liu; Jingqiu Liang
2005-01-01
A method based on the diffraction theory for estimating the three-dimensional (3D) focusing performance of the compound refractive X-ray lenses is presented in this paper. As a special application, the 3D X-ray intensity distribution near the focus is derived for a plano-concave compound refractive X-ray lens.Moreover, the computer codes are developed and some results of 3D focusing performance for a compound refractive X-ray lens with Si material are shown and discussed.
Karamehmedovic, Mirza; Sørensen, Mads Peter; Hansen, Poul Erik
2010-01-01
We propose a method of numerical solution of a type of inverse scattering problem that arises in the optical characterisation/quality control of nanostructures. The underlying global, ill-posed, nonlinear optimisation problem is first localised by best-fit matching of library and measured...... the proposed method, we apply it in a concrete quantitative characterisation of a non-periodic, nano-scale grating defect, with numerically simulated measurements. It is shown that the presented procedure can solve the inverse problem with an accuracy usually thought to require rigorous electromagnetic...... diffraction efficiency patterns. The inverse problem is then solved using piecewise linear interpolation between the best far-field matches. Finally, the results are refined, on average, by solving an additional local optimisation problem formulated in terms of the method of auxiliary sources. To illustrate...
Palin, L
2005-03-15
We have shown in this work that X-ray diffraction on powder is a powerful tool to analyze crystal structure. The purpose of this thesis is the resolution of crystal structures by X-ray and neutrons diffraction on powder using global optimisation methods. We have studied 3 different topics. The first one is the order-disorder phenomena observed in some globular organic molecular solids. The second is the opiate family of neuropeptides. These neurotransmitters regulate sensory functions including pain and control of respiration in the central nervous system. The aim of our study was to try to determine the crystal structure of Leu-enkephalin and some of its sub-fragments. The determination of the crystal structures has been done performing Monte Carlo simulations. The third one is the location of benzene in a sodium-X zeolite. The zeolite framework was already known and the benzene has been localized by simulated annealing and by the use of maximum entropy maps.
Fiber diffraction without fibers.
Poon, H-C; Schwander, P; Uddin, M; Saldin, D K
2013-06-28
Postprocessing of diffraction patterns of completely randomly oriented helical particles, as measured, for example, in so-called "diffract-and-destroy" experiments with an x-ray free electron laser can yield "fiber diffraction" patterns expected of fibrous bundles of the particles. This will allow "single-axis alignment" to be performed computationally, thus obviating the need to do this by experimental means such as forming fibers and laser or flow alignment. The structure of such particles may then be found by either iterative phasing methods or standard methods of fiber diffraction.
A greedy method for reconstructing polycrystals from three-dimensional X-ray diffraction data
Kulshreshth, Arun Kumar; Alpers, Andreas; Herman, Gabor T.
2009-01-01
the experimentally measured value most exceeds the simulated one is identified. This difference can only be reduced by changing the current estimate at a location from a relatively small subset of all possible locations in the estimate and, at each such location, an increase at the identified pixel can only...... be achieved by changing the orientation in only a few possible ways. The method selects the location/orientation pair indicated as best by a function that measures data consistency combined with prior information on orientation maps. The superiority of the method to a previously published forward projection...
Bhakar, Ashok; Pandey, Adityanarayan H; Singh, M N; Upadhyay, Anuj; Sinha, A K; Gupta, S M; Ganguli, Tapas
2016-06-01
The room-temperature synchrotron powder X-ray diffraction pattern of the single phase perovskite lead magnesium niobate (PMN) has shown significant broadening in the q range ∼ 5-7 Å(-1) compared with standard LaB6 synchrotron powder X-ray diffraction data, taken under similar conditions. This broadening/asymmetry lies mainly towards the lower 2θ side of the Bragg peaks. Attempts to fit this data with the paraelectric cubic phase (Pm\\bar 3m) and the local rhombohedral phase (R3m) corresponding to polar nanoregions (PNRs) are made using the Rietveld method. Rietveld refinements show that neither cubic (Pm\\bar 3m) nor rhombohedral (R3m) symmetry can fit this XRD pattern satisfactorily. The two-phase refinement fits the experimental data satisfactorily and suggests that the weight percentage of the PNRs is approximately 12-16% at room temperature. The unit-cell volume of these rhombohedral PNRs is approximately 0.15% larger than that of the unit cell volume of the paraelectric cubic phase.
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.
Zheng, Huai-Li; Xie, Li-Guo; Gao, Chao-Yong; Sun, Xiu-Ping; Yang, You; Tang, Xue
2009-02-01
The hydrolytic stability of Fe(a), Fe(b) and Fe(c) in different pH values of poly-ferric-flocculants was studied by using Fe-ferron time by time complexation colorimetry. The research results showed that Fe(b) was unstable, and all Fe(b) was transformed to Fe(c) after 10-15 d placement. The content of Fe(c) tended towards stability after 10-15 d. Also, the content of Fe(a) tended towards stability after 10 d. The single crystal was synthesized by the method of direct crystallization in Fe(III)-SO4(2-) water solution at normal temperature and its structure characteristic was studied by single crystal X ray diffraction method and IR (infrared spectrophotometry). The research results showed that there was no group of Fe-OH-Fe, Fe-OH and binary ferric complexed with two hydroxyl groups in the single crystal synthesized from the ferric aqueous solution in low pH (pH was about 0.5). The form of Fe in single crystal was all Fe(III). The chemical formula of the single crystal was Fe(H2O)6 (SO4)2NH4 x 6H2O when the ammonia water was used as the alkalinizing agent. One reason was that with the evaporation of water, these single crystals were synthesized at pH 0. 5 despite of different initial pH and different initial alkalinizing agents. Another reason was that the hydrolysis distribution of ferric saline was unstable. Therefore, it was not easy to obtain the single crystal of Fe(III)-hydroxy complexes or Fe(III)-polymer at low pH value. The study showed that infrared spectrophotometry and single crystal X ray diffraction method have a good prospect in the research on hydrolysis distribution of flocculants.
Jeong, Cheol-Ho
2007-01-01
of the PBTM gives advantages in the binaural simulation. Particularity in the early part of the impulse response at mid frequency, the binaural simulation result shows an excellent correspondence with the measurement in the application of a conference room. The diffraction phenomenon was incorporated...... and consequently the guidelines were suggested for these parameters. The approximate angle‐dependent/independent reflection coefficients were tested. The angle dependent reflection coefficient can take the angle dependence of the incident wave into account as well as the size effect of the surface. Also, the merit...... of representing the negative real part was discussed. The PBTM result shows a good agreement with the measurement especially in the early part of impulse response and at mid frequency. The new method of ii binaural simulation for the PBTM was suggested. The peculiar feature of frequency domain calculation...
Test experiment to search for a neutron EDM by the Laue diffraction method
Fedorov, V V; Lelievre-Berna, E; Nesvizhevsky, V V; Petoukhov, A; Semenikhin, S Y; Soldner, T; Tasset, F; Voronin, V V
2005-01-01
A prototype experiment to measure the neutron electric dipole moment (nEDM) by spin-rotation in a non-centrosymmetric crystal in Laue geometry was carried out in order to investigate the statistical sensitivity and systematic effects of the method. The statistical sensitivity to the nEDM was about $6\\cdot 10^{-24}$ e$\\cdot $cm per day and can be improved by one order of magnitude for the full scale setup. Systematics was limited by the homogeneity of the magnetic field in the crystal region and by a new kind of spin rotation effect. We attribute this effect to a difference of the two Bloch waves amplitudes in the crystal, which is caused by the presence of a small crystal deformation due to a temperature gradient. In a revised scheme of the experiment, this effect could be exploited for a purposeful manipulation of the Bloch waves.
Principle of diffraction enhanced imaging(DEI) and computed tomography based on DEI method
无
2006-01-01
In the first part of this article a more general DEI equation was derived using simple concepts. Not only does the new DEI equation explain all the problems that can be done by the DEI equation proposed by Chapman, but also explains the problem that can not be explained with the old DEI equation, such as the noise background caused by the small angle scattering reflected by the analyzer. In the second part, a DEI-PI-CT formula has been proposed and the contour contrast caused by the extinction of refraction beam has been qualitatively explained, and then based on the work of Ando's group two formulae of refraction CT with DEI method has been proposed. Combining one refraction CT formula proposed by Dilmanian with the two refraction CT formulae proposed by us, the whole framework of CT algorithm can be made to reconstruct three components of the gradient of refractive index.
Kim, Wonbaek; Suh, Chang-Yul; Cho, Sung-Wook; Roh, Ki-Min; Kwon, Hanjung; Song, Kyungsun; Shon, In-Jin
2012-05-30
The electrical explosion of Fe wire in air produced nanoparticles containing the binary mixture of magnetite (Fe(3)O(4)) and maghemite (γ-Fe(2)O(3)). The phase identification of magnetite and maghemite by the conventional X-ray diffraction method is not a simple matter because both have the same cubic structure and their lattice parameters are almost identical. Here, we propose a convenient method to assess the presence of magnetite-maghemite mixture and to further quantify its phase composition using the conventional peak deconvolution technique. A careful step scan around the high-angle peaks as (511) and (440) revealed the clear doublets indicative of the mixture phases. The quantitative analysis of the mixture phase was carried out by constructing a calibration curve using the pure magnetite and maghemite powders commercially available. The correlation coefficients, R(2), for magnetite-maghemite mixture was 0.9941. According to the method, the iron oxide nanoparticles prepared by the wire explosion in this study was calculated to contain 55.8 wt.% maghemite and 44.2 wt.% magnetite. We believe that the proposed method would be a convenient tool for the study of the magnetite-maghemite mixture which otherwise requires highly sophisticated equipments and techniques.
Bougharraf, H.; Benallal, R.; Sahdane, T.; Mondieig, D.; Negrier, Ph.; Massip, S.; Elfaydy, M.; Lakhrissi, B.; Kabouchi, B.
2017-02-01
5-Azidomethyl-8-hydroxyquinoline has been synthesized and characterized using IR, 1H and 13C NMR spectroscopic methods. Thermal analysis revealed no solid-solid phase transitions. The crystal structure of this compound was refined by Rietveld method from powder X-ray diffraction data at 295 K. The single- crystal structure of the compound at 260 K was solved and refined using SHELX 97 program. According to the data obtained by both methods, the structure of the compound is monoclinic, space group P21/ c, with Z = 4 and Z' = 1. For the single crystal at 260 K, a = 12.2879 (9) Å, b = 4.8782 (3) Å, c = 15.7423 (12) Å, β=100.807(14)°. Mechanisms of deformation resulting from intra- and intermolecular interactions, such as hydrogen bonding, induced slight torsions in the crystal structure. The optimized molecular geometry of 5-azidomethyl-8-hydroxyquinoline in the ground state is calculated using density functional theory (B3LYP) and Hartree-Fock (HF) methods with the 6-311G( d,p) basis set. The calculated results show good agreement with experimental values. Energy gap of the molecule was found using HOMO and LUMO calculation which reveals that charge transfer occurs within the molecule.
Measurement of Inverse Pole Figure by Asymmetric X-Ray Diffraction Method%非对称衍射法测量反极图
周顺兵; 冯大军; 姚中海
2014-01-01
介绍了一种在X-射线衍射仪上采用非对称衍射方式测量反极图的方法。该方法的特点是：与对称衍射方式相比，非对称衍射方式测量的反极图中的极密度的大小既包含了在对称衍射方式下能产生衍射的晶粒对极密度的贡献，也包含了与对称衍射晶粒有一定取向差的晶粒对极密度的贡献，因而采用该方法测量反极图更科学，所测结果更接近真值。%A method for measuring the inverse pole figure with an asymmetric diffraction manner by X-ray diffractometer is introduced. Compared with the symmetric diffraction manner, the pole density of the inverse pole figure measured by asymmetric diffraction method contains the contribu-tions from both the crystal grains generating diffraction in the symmetric diffraction manner and the crystal grains having an orientation difference with the above mentioned symmetric diffraction grains. Through the method introduced in this paper, a more scientific inverse pole figure and more true results can be obtained.
Chen, Chien-Chun; Miao, Jianwei; Wang, C. W.; Lee, T. K.
2007-08-01
We have developed an algorithm that combines the concept of optimization with the conventional hybrid input-output (HIO) algorithm for phase retrieval of oversampled diffraction intensities. In particular, the optimization algorithm of guiding searching direction to locate the global minimum has been implemented. Compared with HIO, this guided HIO algorithm retrieves the lost phase information from diffraction intensities with much better accuracy.
Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)
2002-01-01
The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple
Structure from diffraction methods
Bruce, Duncan W; Walton, Richard I
2014-01-01
Inorganic materials show a diverse range of important properties that are desirable for many contemporary, real-world applications. Good examples include recyclable battery cathode materials for energy storage and transport, porous solids for capture and storage of gases and molecular complexes for use in electronic devices. An understanding of the function of these materials is necessary in order to optimise their behaviour for real applications, hence the importance of 'structure-property relationships'. The chapters presented in this volume deal with recent advances in the characterisatio
Coe, Ryan L; Sebiel, Eric J
2011-08-01
We present an alternative mixed-surface implementation of the Stratton-Chu vectorial diffraction integrals as a means to improve near-field calculations outside the computational domain of the finite-difference time-domain method. This approach, originally derived for far-field calculations, reduces the effect of phase errors and reduces storage costs compared to standard single-surface implementations performed using arithmetic and geometric means. All three methods are applied to a strongly forward-scattering sphere, which is the gold standard for similar simulations with a corresponding analytical Mie series solution. Additionally, the mixed surface is applied to an ensemble of theoretical flow cytometry calibration standards in optical gel. The near-field electromagnetic scattering produced by these or any arbitrary object, such as a cell, could be used to simulate images in a high-numerical-aperture microscope. The results show the mixed-surface implementation outperforms the standard techniques for calculating the near-field electromagnetic fields.
Hu, Jiarui; Chen, Y. L.; Chen, K. H.; Lee, Brian; Tsai, Frankie; Ke, C. M.; Liao, C. H.; Ngo, Desmond; Gosali, Benny; Tijssen, Robin; Huang, Vincent; Tu, Ward; Noot, Marc; Escalante Marun, Maryana; Leewis, Christian; Luijten, Carlo; Staals, Frank; Van Veen, Martijn; Furthner, Francois; Young, Stuart; Bhattacharyya, Kaustuve
2016-03-01
In advanced optical lithography the requirements of focus control continues to tighten. Usable depth of focus (DoF) is already quite low due to typical sources of focus errors, such as topography, wafer warpage and the thickness of photoresist. And now the usable DoF is further decreased by hotspots (design and imaging hotspots). All these have put extra challenges to improve focus metrology, scanner focus stability calibrations and on-product correction mechanisms. Asymmetric focus targets are developed to address robustness in focus measurements using diffraction-based focus (DBF and μDBF) metrology. A new layout specific calibration methodology is introduced for baseline focus setup and control in order to improve scanner focus uniformity and stability using the measurements of the above mentioned asymmetric targets. A similar metrology is also used for on product focus measurements. Moreover, a few novel alternative methods are also investigated for on-product focus measurements. Data shows good correlation between DBF and process on record (POR) method using traditional FEM. The new focus calibration demonstrated robustness, stability and speed. This technical publication will report the data from all the above activities including results from various product layers.
Soleimanian, V. [Shahrekord University, Department of Physics, Faculty of Sciences, P.O. Box 115, Shahrekord (Iran, Islamic Republic of); Shahrekord University, Nanotechnology Research Center, Shahrekord (Iran, Islamic Republic of); Mojtahedi, M. [Pooya Gharb Branch of University of Applied Science and Technology, Department of Materials Engineering, Kermanshah (Iran, Islamic Republic of)
2015-06-15
The microstructural characteristics of aluminum, copper and nickel powders are investigated using different X-ray diffraction line broadening analysis approaches. Prior to analysis, the powders were ball-milled to produce a nanocrystalline structure with high density of probable types of lattice defects. A variety of methods, including Scherrer, Williamson-Smallman, Williamson-Hall, Warren-Averbach, modified Williamson-Hall, modified Warren-Averbach, Rietveld refinement and whole powder pattern modeling (WPPM) approaches are applied. In this way, microstructural characteristics such as crystallite size, microstrain, dislocation density, effective outer cut-off radius of dislocations and the probability of twining and stacking faults are calculated. On the other hand, the results of conventional and advanced line broadening analysis methods are compared. It is revealed that the density of linear and planar defects in the mechanically deformed aluminum powder is significantly smaller than that of copper and nickel, as well as the level of anisotropic strain broadening. Moreover, the WPPM procedure provided a better profile fitting with more accurate results. (orig.)
Kern, Jan; Hattne, Johan; Tran, Rosalie; Alonso-Mori, Roberto; Laksmono, Hartawan; Gul, Sheraz; Sierra, Raymond G.; Rehanek, Jens; Erko, Alexei; Mitzner, Rolf; Wernet, Phillip; Bergmann, Uwe; Sauter, Nicholas K.; Yachandra, Vittal; Yano, Junko
2014-01-01
X-ray free-electron lasers (XFELs) open up new possibilities for X-ray crystallographic and spectroscopic studies of radiation-sensitive biological samples under close to physiological conditions. To facilitate these new X-ray sources, tailored experimental methods and data-processing protocols have to be developed. The highly radiation-sensitive photosystem II (PSII) protein complex is a prime target for XFEL experiments aiming to study the mechanism of light-induced water oxidation taking place at a Mn cluster in this complex. We developed a set of tools for the study of PSII at XFELs, including a new liquid jet based on electrofocusing, an energy dispersive von Hamos X-ray emission spectrometer for the hard X-ray range and a high-throughput soft X-ray spectrometer based on a reflection zone plate. While our immediate focus is on PSII, the methods we describe here are applicable to a wide range of metalloenzymes. These experimental developments were complemented by a new software suite, cctbx.xfel. This software suite allows for near-real-time monitoring of the experimental parameters and detector signals and the detailed analysis of the diffraction and spectroscopy data collected by us at the Linac Coherent Light Source, taking into account the specific characteristics of data measured at an XFEL. PMID:24914169
Andersen, Casper Welzel; Bremholm, Martin; Vennestrøm, Peter Nicolai Ravnborg; Blichfeld, Anders Bank; Lundegaard, Lars Fahl; Iversen, Bo Brummerstedt
2014-11-01
Accurate structural models of reaction centres in zeolite catalysts are a prerequisite for mechanistic studies and further improvements to the catalytic performance. The Rietveld/maximum entropy method is applied to synchrotron powder X-ray diffraction data on fully dehydrated CHA-type zeolites with and without loading of catalytically active Cu(2+) for the selective catalytic reduction of NO x with NH3. The method identifies the known Cu(2+) sites in the six-membered ring and a not previously observed site in the eight-membered ring. The sum of the refined Cu occupancies for these two sites matches the chemical analysis and thus all the Cu is accounted for. It is furthermore shown that approximately 80% of the Cu(2+) is located in the new 8-ring site for an industrially relevant CHA zeolite with Si/Al = 15.5 and Cu/Al = 0.45. Density functional theory calculations are used to corroborate the positions and identity of the two Cu sites, leading to the most complete structural description of dehydrated silicoaluminate CHA loaded with catalytically active Cu(2+) cations.
Zhu, Ning; Chapman, Dean; Cooper, David; Schreyer, David J; Chen, Xiongbiao
2011-11-01
Scaffold visualization is challenging yet essential to the success of various tissue engineering applications. The aim of this study was to explore the potential of X-ray diffraction enhanced imaging (DEI) as a novel method for the visualization of low density engineered scaffolds in soft tissue. Imaging of the scaffolds made from poly(L-lactide) (PLLA) and chitosan was conducted using synchrotron radiation-based radiography, in-line phase-contrast imaging (in-line PCI), and DEI techniques as well as laboratory-based radiography. Scaffolds were visualized in air, water, and rat muscle tissue. Compared with the images from X-ray radiography and in-line PCI techniques, DEI images more clearly show the structure of the low density scaffold in air and have enhanced image contrast. DEI was the only technique able to visualize scaffolds embedded in unstained muscle tissue; this method could also define the microstructure of muscle tissue in the boundary areas. At a photon energy of 20 KeV, DEI had the capacity to image PLLA/chitosan scaffolds in soft tissue with a sample thickness of up to 4 cm. The DEI technique can be applied at high X-ray energies, thus facilitating lower in vivo radiation doses to tissues during imaging as compared to conventional radiography.
McMillan, N. D.; Egan, J.; Denieffe, D.; Riedel, S.; Tiernan, K.; McMillan, D. G. E.; Farrell, G.; Kennedy, David; Doyle, Greg; McGowan, G.; Augousti, A.; Mason, J.
2005-06-01
For the first time the term data diffraction is introduced, with examples drawn from the algorithm known as phase coherent data-scatter (PCDS) that produces identifiable visual patterns for different types of signal degradation in optical telecommunications. The main signal degradation factors that affect the performance of optical fibers include attenuation, rise-times and dispersion. The theory behind data-scatter is introduced including comprehensive explanations of the theoretical conceptual components of this technique such as centroids, exchange operation, coherence, closeness and projection radius. The various issues of assessing the quality of digital signals are outlined using a simulation study. The authors for the study of optical telecommunications issues have extended the functionality of data-scatter. This approach shows considerable promise. The utility of the data-entropy based 'quality budget method' for optoelectronic system engineering is revisited using an information theory based approach for optical telecommunications. Proposals for the implementation of pattern recognition algorithms to analyse the repeatable patterns within data-scatter are discussed. The paper concludes with brief considerations into the advantages of linking the new data-scatter and data-entropy approaches in digital fiber systems for performance quantification and assessment.
Kuzmickas, L.; Andrade, F.R.D.; Szabo, G.A.J. [Universidade de Sao Paulo (IGc/USP), SP (Brazil). Inst. de Geociencias. Dept. de Mineralogia e Geotecnia; Motta, J.F.M.; Cabral Junior, M., E-mail: lukuzmickas@gmail.com, E-mail: dias@usp.br, E-mail: gajszabo@usp.b, E-mail: motta.jf@gmail.com, E-mail: marsis@ipt.br [Instituto de Pesquisas Tecnologicas (IPT), Sao Paulo, SP (Brazil). Secao de Recursos Minerais e Tecnologia Ceramica
2013-04-15
White ceramics were produced with raw mixtures prepared with varying proportions of diopside-rich rock (0 to 20 wt.%) and potassic feldspar (40 to 20 wt.%), and fixed proportions of kaolinite (40 wt.%) and quartz (20 wt.%), fired in a temperature range from 1170 to 1210 deg C. The phases identified in the experimental ceramics were quartz, anorthite, mullite and glass, and their relative mass proportions were determined by X-ray diffraction (Rietveld method). The addition of diopside as a partial substitute for potassic feldspar causes the formation of a calcium silicate, analogous of the natural anorthite (CaSi{sub 2}Al{sub 2}O{sub 8}) in the ceramics, with proportional reduction in its glass and mullite contents. Water absorption and porosity of the ceramic bodies clearly decrease with increasing firing temperature, while the effect of the raw mixture composition on the physical and mechanical properties of the ceramics is less evident. Diopside-rich rock has low iron content (1.5 wt.% Fe{sub 2}O{sub 3}) and, therefore, promotes white burning. (author)
Raulot, Victorien; Gérard, Philippe; Serio, Bruno; Flury, Manuel; Kress, Bernard; Meyrueis, Patrick
2010-08-16
A new rigorous vector-based design and analysis approach of diffractive lenses is presented. It combines the use of two methods: the Finite-Difference Time-Domain for the study in the near field, and the Radiation Spectrum Method for the propagation in the far field. This approach is proposed to design and optimize effective medium cylindrical diffractive lenses for high efficiency structured light illumination systems. These lenses are realised with binary subwavelength features that cannot be designed using the standard scalar theory. Furthermore, because of their finite and high frequencies characteristics, such devices prevent the use of coupled wave theory. The proposed approach is presented to determine the angular tolerance in the cases of binary subwavelength cylindrical lenses by calculating the diffraction efficiency as a function of the incidence angle.
Wragg, David S; Bleken, Francesca L; O'Brien, Matthew G; Di Michiel, Marco; Fjellvåg, Helmer; Olsbye, Unni
2013-06-14
The methanol to gasoline process over the zeolite catalyst ZSM-5 in a lab-sized reactor bed (4 mm diameter) has been studied in operando with high energy synchrotron X-ray diffraction. The fast z-scan method was used, scanning the reactor repeatedly and at speed through the X-ray beam. The X-ray diffraction data were processed using high throughput parametric Rietveld refinement to obtain real structural parameters. The diffraction data show only very subtle changes during the process and this allows us to demonstrate the combination of very large data volumes with parametric Rietveld methods to study weak features of the data. The different possible data treatment methodologies are discussed in detail and their effects on the results obtained are demonstrated. The trends in unit cell volume, zeolite channel occupancy and crystallite strain indicate that more or larger reaction intermediates are present close to the reactor outlet.
Balic Zunic, Tonci; Katerinopoulou, Anna; Edsberg, Anders
2011-01-01
The main strength of the Rietveld method as a tool for quantitative phase analysis lies in its ability to control and correct various parameters which influence powder diffraction patterns. The main sources of errors in this type of analysis are due to differences in properties of various constit...
Method of Identifying Clay Mineral by X-Ray Diffraction Analysis%用X射线衍射分析鉴定粘土矿物的方法
蒲海波
2011-01-01
Combined with the analysis executed by clay mineral in constructing material of dams of our institute , the principal of X-ray diffraction analysis, preparation of specimens and testing methods are introduced, and the graph of X-ray diffraction is interpreted and analyzed as well.%该文结合我院对筑坝材料中粘土矿物的分析,对X射线衍射分析的原理、样品制备及试验方法进行了介绍,对试验得到的衍射图谱进行了解译分析.
Medendorp, Joseph; Bric, John; Connelly, Greg; Tolton, Kelly; Warman, Martin
2015-08-10
The purpose of this manuscript is to present the intended use and long-term maintenance strategy of an online laser diffraction particle size method used for process control in a spray drying process. A Malvern Insitec was used for online particle size measurements and a Malvern Mastersizer was used for offline particle size measurements. The two methods were developed in parallel with the Mastersizer serving as the reference method. Despite extensive method development across a range of particle sizes, the two instruments demonstrated different sensitivities to material and process changes over the product lifecycle. This paper will describe the procedure used to ensure consistent alignment of the two methods, thus allowing for continued use of online real-time laser diffraction as a surrogate for the offline system over the product lifecycle. Copyright © 2015 Elsevier B.V. All rights reserved.
Tri Hardi Priyanto
2016-04-01
Full Text Available Austenitic steel is one type of stainless steel which is widely used in the industry. Many studies on austenitic stainless steel have been performed to determine the physicalproperties using various types of equipment and methods. In this study, the neutron diffraction method is used to characterize the materials which have been made from minerals extracted from the mines in Indonesia. The materials consist of a granular ferro-scrap, nickel, ferro-chrome, ferro-manganese, and ferro-silicon added with a little titanium. Characterization of the materials was carried out in threeprocesses, namely: machining, annealing, and rolling. Experimental results obtained from the machining process generally produces a texture in the 〈100〉direction. From the machining to annealing process, the texture index decreases from 3.0164 to 2.434.Texture strength in the machining process (BA2N sample is 8.13 mrd and it then decreases to 6.99 in the annealing process (A2DO sample. In the annealing process the three-component texture appears, cube-on-edge type texture{110}〈001〉, cube-type texture {001}〈100〉, and brass-type {110}〈112〉. The texture is very strong leading to the direction of orientation {100}〈001〉, while the {011}〈100〉is weaker than that of the {001}, and texture withorientation {110}〈112〉is weak. In the annealing process stress release occurred, and this was shown by more randomly pole compared to stress release by the machining process. In the rolling process a brass-type texture{110}〈112〉with a spread towards the goss-type texture {110}〈001〉 appeared, and the brass component is markedly reinforced compared to the undeformed state (before rolling. Moreover, the presence of an additional {110} component was observed at the center of the (110 pole figure. The pole density of three components increases withthe increasing degree of thickness reduction. By increasing degrees
In-situ synchrotron wide-angle X-ray diffraction as a rapid method for cocrystal/salt screening.
Dong, Pin; Lin, Ling; Li, Yongcheng; Huang, Zhengwei; Lang, Tianqun; Wu, Chuanbin; Lu, Ming
2015-12-30
The purpose of this work was to explore in-situ synchrotron wide-angle X-ray diffraction (WAXD) as a rapid and accurate tool to screen and monitor the formation of cocrystal/salts during heating. The active pharmaceutical ingredients (caffeine, carbamazepine and lamotrigine) were respectively mixed with the coformer (saccharin), and then heated by the hot stage. Real-time process monitoring was performed using synchrotron WAXD to assess cocrystal formation and subsequently compared to differential scanning calorimetry (DSC) measurements. The effect of heating rates and cocrystal growth behavior were investigated. Synchrotron WAXD was fast and sensitive to detect cocrystal formation with the appearance of characteristic diffraction rings, even at the heating rate of 30°C/min, while DSC curves showed overlapped peaks. Unlike the indirect characterization of DSC on endo/exothermic peaks, synchrotron WAXD can directly and qualitatively determine cocrystal by diffraction peaks. The diffraction intensity-temperature curves and the corresponding first-derivative curves clearly exhibited the growth behavior of cocrystal upon heating, providing useful information to optimize the process temperature of hot melt extrusion to continuously manufacture cocrystal. The study suggests that in-situ synchrotron WAXD could provide a one-step process to screen cocrystal at high efficiency and reveal the details of cocrystal/salts growth behavior.
Shneerson, V L; Ourmazd, A; Saldin, D K
2008-03-01
It is demonstrated that a common-line method can assemble a three-dimensional oversampled diffracted intensity distribution suitable for high-resolution structure solution from a set of measured two-dimensional diffraction patterns, as proposed in experiments with an X-ray free-electron laser (XFEL) [Neutze et al. (2000). Nature (London), 406, 752-757]. Even for a flat Ewald sphere, it is shown how the ambiguities due to Friedel's law may be overcome. The method breaks down for photon counts below about 10 per detector pixel, almost three orders of magnitude higher than expected for scattering by a 500 kDa protein with an XFEL beam focused to a 0.1 microm diameter spot. Even if 10(3) orientationally similar diffraction patterns could be identified and added to reach the requisite photon count per pixel, the need for about 10(6) orientational classes for high-resolution structure determination suggests that about 10(9) diffraction patterns must be recorded. Assuming pulse and readout rates of approximately 100 Hz, such measurements would require approximately 10(7) s, i.e. several months of continuous beam time.
Martin, A D; Khoze, V A; Krauss, F; Ryskin, M G; Zapp, K
2012-01-01
`Soft' high-energy interactions are clearly important in pp collisions. Indeed, these events are dominant by many orders of magnitude, and about 40% are of diffractive origin; that is, due to elastic scattering or proton dissociation. Moreover, soft interactions unavoidably give an underlying component to the rare `hard' events, from which we hope to extract new physics. Here, we discuss how to quantify this contamination. First we present a brief introduction to diffraction. We emphasize the different treatment required for proton dissociation into low- and high-mass systems; the former requiring a multichannel eikonal approach, and the latter the computation of triple-Pomeron diagrams with multi-Pomeron corrections. Then we give an overview of the Pomeron, and explain how the QCD (BFKL-type) Pomeron is the natural object to continue from the `hard' to the `soft' domain. In this way we can obtain a partonic description of soft interactions. We introduce the so-called KMR model, based on this partonic approac...
Christien, F; Telling, M T F; Knight, K S; Le Gall, R
2015-05-01
A method is proposed for the monitoring of metal recrystallization using neutron diffraction that is based on the measurement of stored energy. Experiments were performed using deformed metal specimens heated in-situ while mounted at the sample position of the High Resolution Powder Diffractometer, HRPD (ISIS Facility), UK. Monitoring the breadth of the resulting Bragg lines during heating not only allows the time-dependence (or temperature-dependence) of the stored energy to be determined but also the recrystallized fraction. The analysis method presented here was developed using pure nickel (Ni270) specimens with different deformation levels from 0.29 to 0.94. In situ temperature ramping as well as isothermal annealing was undertaken. The method developed in this work allows accurate and quantitative monitoring of the recrystallization process. The results from neutron diffraction are satisfactorily compared to data obtained from calorimetry and hardness measurements.
Christien, F., E-mail: frederic.christien@univ-nantes.fr; Le Gall, R. [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, Rue Christian Pauc, BP 50609, 44306 Nantes Cedex 3 (France); Telling, M. T. F. [ISIS Facility, Rutherford Appleton Laboratory, Chilton OX11 0QX (United Kingdom); Department of Materials, University of Oxford, Parks Road, Oxford (United Kingdom); Knight, K. S. [ISIS Facility, Rutherford Appleton Laboratory, Chilton OX11 0QX (United Kingdom); Department of Earth Sciences, The Natural History Museum, Cromwell Road, London (United Kingdom)
2015-05-15
A method is proposed for the monitoring of metal recrystallization using neutron diffraction that is based on the measurement of stored energy. Experiments were performed using deformed metal specimens heated in-situ while mounted at the sample position of the High Resolution Powder Diffractometer, HRPD (ISIS Facility), UK. Monitoring the breadth of the resulting Bragg lines during heating not only allows the time-dependence (or temperature-dependence) of the stored energy to be determined but also the recrystallized fraction. The analysis method presented here was developed using pure nickel (Ni270) specimens with different deformation levels from 0.29 to 0.94. In situ temperature ramping as well as isothermal annealing was undertaken. The method developed in this work allows accurate and quantitative monitoring of the recrystallization process. The results from neutron diffraction are satisfactorily compared to data obtained from calorimetry and hardness measurements.
Andreeva, M. A., E-mail: Mandreeva1@yandex.ru [Moscow State University (Russian Federation); Repchenko, Yu. L., E-mail: kent160@mail.ru [Voronezh State University (Russian Federation); Smekhova, A. G. [Moscow State University (Russian Federation); Dumesnil, K. [University of Lorraine, Institut Jean Lamour (UMR CNRS 7198) (France); Wilhelm, F.; Rogalev, A. [European Synchrotron Radiation Facility (France)
2015-06-15
The spectral dependence of the Bragg peak position under conditions of extremely asymmetric diffraction has been analyzed in the kinematical and dynamical approximations of the diffraction theory. Simulations have been performed for the L{sub 3} absorption edge of yttrium in a single-crystal YFe{sub 2} film; they have shown that the magneto-optical constants (or, equivalently, the dispersion corrections to the atomic scattering factor) for hard X-rays can be determined from this dependence. Comparison with the experimental data obtained for a Nb(4 nm)/YFe{sub 2}(40 nm〈110〉)/Fe(1.5 nm)/Nb(50 nm)/sapphire sample at the European Synchrotron Radiation Facility has been made.
Malifarge, Simon; Delobel, Bruno; Delacourt, Charles
2017-03-01
To answer the demand of increased autonomy in transportation applications, the energy density of battery electrode need to be enhanced. The porous electrode microstructure needs to be controlled to optimize battery performance and prevent electrode degradation (e.g., Li plating). Graphite negative electrodes generally consist of anisotropic particles that exhibit a preferred orientation. Graphite particles tend to stack perpendicular to ionic pathways which results in transport issues and reduces overall battery power capability. In this context, a method based on X-ray diffraction is described to quantify the preferred orientation of graphite particles in actual electrodes. A step orientation-distribution function is used to describe the pole-density profile of the diffracting graphite crystallites. A fraction of graphite particles oriented parallel to the electrode current collector within a tilt tolerance is derived from the step function. An application of this method is presented on a set of graphite electrodes that underwent different calendering conditions.
Sen, Ranjan, E-mail: ranjansen2001@gmail.co [Department of Metallurgical and Materials Engineering, Jadavpur University, Kolkata 700032 (India); Das, Gopes Chandra; Mukherjee, Siddhartha [Department of Metallurgical and Materials Engineering, Jadavpur University, Kolkata 700032 (India)
2010-02-04
Nano-sized cobalt particles in silica matrix have been synthesized by sol-gel method to reduce the oxidation of metallic cobalt. Different techniques of the X-ray diffraction line profile analysis (XRDLPA) have been used to determine the microstructural parameters of the nano-sized cobalt. The domain size, microstrain and lattice parameters have been estimated by the modified Rietveld technique and classical Williamson-Hall technique.
Webster, D.M.
1989-01-01
A semiquantitative X-ray diffraction procedure has been developed that can be used to acquire reproducible mineralogic data from geographically unrelated stream-sediment samples having similar mineralogy. Weight percentages for quartz, total-feldspar, and total-clay can be determined by direct comparison of intensities with standard-mineral mixtures of known weight percent. Matrix effects and mass-absorption differences are circumvented by taking the ratio of peak-intensity, in counts per second, for quartz relative to that of other minerals being quantified. Mineral percentages generally are reproducible to within 10 percent.
Nogueira, N.A.S. [Departamento de Engenharia Metalúrgica e de Materiais, Centro de Tecnologia, Campus do Pici, Universidade Federal do Ceará – UFC, 60455-760 Fortaleza, CE (Brazil); Utuni, V.H.S.; Silva, Y.C. [Departamento de Física, Universidade Federal do Ceará – UFC, Campus do Pici, 60440-970 Fortaleza, CE (Brazil); Kiyohara, P.K. [Instituto de Física, Universidade de São Paulo – USP, 05315-970 São Paulo, SP (Brazil); Vasconcelos, I.F. [Departamento de Engenharia Metalúrgica e de Materiais, Centro de Tecnologia, Campus do Pici, Universidade Federal do Ceará – UFC, 60455-760 Fortaleza, CE (Brazil); Miranda, M.A.R., E-mail: marcus.a.r.miranda@gmail.com [Departamento de Física, Universidade Federal do Ceará – UFC, Campus do Pici, 60440-970 Fortaleza, CE (Brazil); Sasaki, J.M. [Departamento de Física, Universidade Federal do Ceará – UFC, Campus do Pici, 60440-970 Fortaleza, CE (Brazil)
2015-08-01
Nickel ferrite (NiFe{sub 2}O{sub 4}) nanoparticles were synthesized by the proteic sol–gel method at synthesis temperature of 250 °C, 300 °C and 400 °C, with the objective of obtaining superparamagnetic nanoparticles. Thermogravimetric analysis (TGA) and temperature-programed oxidation (TPO) presented peaks around 290 °C indicating that nickel ferrite was forming at this temperature. X-ray powder diffraction (XRPD) confirmed that the polycrystalline sample was single phased NiFe{sub 2}O{sub 4} with space group Fd3m. Scherrer equation applied to the diffraction patterns and transmission electron microscopy (TEM) images showed that the size of the nanoparticles ranged from 9 nm to 13 nm. TEM images also revealed that the nanoparticles were agglomerated, which was supported by the low values of surface area provided by the Brunauer-Emmet-Teller (BET) method. Moessbauer spectroscopy presented spectra composed of a superposition of three components: a sextet, a doublet and a broad singlet pattern. The sample synthetized at 300 °C had the most pronounced doublet pattern characteristic of superparamagnetic nanoparticles. In conclusion, this method was partially successful in obtaining superparamagnetic nickel ferrite nanoparticles, in which the synthetized samples were a mixture of nanoparticles with blocking temperature above and below room temperature. Magnetization curves revealed a small hysteresis, supporting the Moessbauer results. The sample with the higher concentration of superparamagnetic nanoparticles being the one synthetized at 300 °C. - Highlights: • Superparamagnetic nickel ferrite nanoparticles were grown by the proteic sol–gel method. • The proteic sol–gel method provided superparamagnetic nickel ferrite nanoparticles with sizes in the range of 9–13 nm. • Nickel ferrite nanoparticles were prepared at temperatures as low as 250 °C. • The nickel ferrite nanoparticles were studied by x-ray diffraction and Moessbauer.
Parikin
2015-10-01
Full Text Available The determination of the residual stresses using X-ray powder diffraction in a series of cold-rolled 304 stainless steel plates, deforming 0, 34, 84, 152, 158, 175 and 196 % reduction in thickness has been carried out. The diffraction data were analyzed using the Rietveld structure refinement method. The analysis shows that for all specimens, the martensite particles are closely in compression and the austenite matrix is in tension. Both the martensite and austenite, for a sample reducing 34% in thickness (containing of about 1% martensite phase the average lattice strains are anisotropic and decrease approximately exponential with an increase in the corresponding percent reduction (essentially phase content. It is shown that this feature can be qualitatively understood by taking into consideration the thermal expansion mismatch between the martensite and austenite grains. Also, for all cold-rolled stainless steel specimens, the diffraction peaks are broader than the unrolled one (instrumental resolution, indicating that the strains in these specimens are inhomogeneous. From an analysis of the refined peak shape parameters, the average root-mean square strain, which describes the distribution of the inhomogeneous strain field, was predicted. The average residual stresses in cold-rolled 304 stainless steel plates showed a combination effect of hydrostatic stresses of the martensite particles and the austenite matrix.
Kauffer, E; Masson, A; Moulut, J C; Lecaque, T; Protois, J C
2005-11-01
In this study, the alpha-quartz contents measured by different analytical techniques (X-ray diffraction, direct method; and infrared spectrophotometry, direct and indirect methods) were compared. The analyses were carried out on filters sampled in an industrial setting by means of a Dorr-Oliver cyclone. To verify the methodology used, filters loaded with pure alpha-quartz were also analysed. By and large, the agreement between the two direct methods was close on average, but on the basis of a comparison of the individual results, considerable differences exist. In absolute value, the mean relative deviation between the two techniques was infrared) were on average 13% lower than the results obtained by the two direct methods with a more important difference (23%) for samples where calcite was identified by X-ray diffraction in comparison with those where it was not (8%). This underestimation, which was not owing to dust losses during preparation, is probably explained by the elimination of organic compounds during dust calcinations or by the transformation of mineral compounds. The indirect method introduces additional sample handling operations with more risk of material loss. When the quantity of calcined material was <0.4 mg, the weighing operations necessary to correct any losses of material resulted in considerable variability. In terms of overall uncertainty, it would be better in this case not to carry out correction and to employ an operating mode favouring the recovery of a maximum of material while accepting a bias of about 5-7%.
佐々木, 敏彦
1998-01-01
A newly developed method for the x-ray stress analysis was studied. This method is not a ψ-angle based method which the conventional x-ray methods usually use, but a α-angle based one, where ψ is the angle
Luo, Chun-Ling; Zhuo, Ling-Qing
2017-01-01
Imaging through atmospheric turbulence is a topic with a long history and grand challenges still exist in the remote sensing and astro observation fields. In this letter, we try to propose a simple scheme to improve the resolution of imaging through turbulence based on the computational ghost imaging (CGI) and computational ghost diffraction (CGD) setup via the laser beam shaping techniques. A unified theory of CGI and CGD through turbulence with the multi-Gaussian shaped incoherent source is developed, and numerical examples are given to see clearly the effects of the system parameters to CGI and CGD. Our results show that the atmospheric effect to the CGI and CGD system is closely related to the propagation distance between the source and the object. In addition, by properly increasing the beam order of the multi-Gaussian source, we can improve the resolution of CGI and CGD through turbulence relative to the commonly used Gaussian source. Therefore our results may find applications in remote sensing and astro observation.
Martinez, A.; Bellon, D.; Reina, L.
2016-08-01
Hydrogen storage is one of the important steps in the implementation of the hydrogen economy; metal hydrides are a promising way to achieve this goal. We present in this work the use of Rietveld analysis to characterize structurally TiCr-based alloys that are able to store hydrogen. TiCruV09, TiCrL1V0.45Nb0.45, TiCr1.1V0.2 Nb0.8, TiCr1.1Nb0.9 alloys were synthesized in an arc furnace under argon atmosphere. The analysis of phases was developed by X-Ray Diffraction (XRD) for further refinement of both the two lattice parameters and the percentage of the phases. Our results confirmed that a structure bcc, mostly combined with a small percentage of Laves phases, leads to obtain important properties in this area. Rietveld analysis was performed by the Fullprof program and this program allows us to obtain the different structural parameters.
Terezinha Ferreira de Oliveira
2006-12-01
Full Text Available The present work uses multivariate statistical analysis as a form of establishing the main sources of error in the Quantitative Phase Analysis (QPA using the Rietveld method. The quantitative determination of crystalline phases using x ray powder diffraction is a complex measurement process whose results are influenced by several factors. Ternary mixtures of Al2O3, MgO and NiO were prepared under controlled conditions and the diffractions were obtained using the Bragg-Brentano geometric arrangement. It was possible to establish four sources of critical variations: the experimental absorption and the scale factor of NiO, which is the phase with the greatest linear absorption coefficient of the ternary mixture; the instrumental characteristics represented by mechanical errors of the goniometer and sample displacement; the other two phases (Al2O3 and MgO; and the temperature and relative humidity of the air in the laboratory. The error sources excessively impair the QPA with the Rietveld method. Therefore it becomes necessary to control them during the measurement procedure.
Siddiqui, Akhtar; Rahman, Ziyaur; Korang-Yeboah, Maxwell; Khan, Mansoor A
2015-09-30
The objective of this study was to develop and validate XRPD analytical method for the estimation of percent crystalline warfarin sodium present in drug products. Warfarin sodium (WS) is a clathrate containing Isopropyl alcohol entrapped in the crystalline structure. Four types of WS-excipient mixtures were prepared and used to make four formulations: M1 containing lactose monohydrate (WS: excipient 1:9), M2 containing anhydrous lactose (WS: excipient 1:9), M3 containing lactose monohydrate (WS: excipient 1:21.5), M4 containing lactose anhydrous (WS: excipient 1:21.5). Thoroughly mixed powders were packed in the XRD sample holders and diffractogram were collected. Diffractogram in the 7-9 2θ were found to be distinctive as the peak intensity grows with increasing percent crystalline WS. This peak region was, therefore, used to validate the XRPD method. Validation parameters were evaluated for accuracy, precision, linearity, limit of detection (LOD), and limit of quantitation (LOQ). LOD and LOQ for M1, M2, M3, and M4 were 3.04, 3.17, 4.17, 4.49% and 9.21, 9.62, 12.65, 13.30%, respectively. The method was found to be linear with R(2)>0.99. With changing scan speed, X-ray power output, and type of sample holder, the method was found to be robust. Prediction of the % crystalline content of the WS sample with known crystallinity showed close agreement between actual and predicted value. In summary, XRPD method was validated, which can be used as a quantitative method for the estimation of % crystalline WS present in a drug product.
Kuribayashi, Takahiro; Sano-Furukawa, Asami; Nagase, Toshiro
2014-04-01
Pressure-induced phase transition of δ-AlOOH was confirmed between 6.1 and 8.2 GPa by using a single-crystal synchrotron X-ray diffraction method. The phase transition is reversible and unquenchable. Results from analysis of the distribution of X-ray diffraction intensities at 8.2 GPa reveal an additional systematic, absence of k + l odd for 0 kl in comparison with h + l odd for h0 l observed prior to the phase transition (space group, P21 nm). The space group of the post-transition phase should be Pnnm or Pnn2 to satisfy the systematic absence rule. Crystal structure refinements of the post-transition phase conducted for the three models ( Pnnm, Pnn2, and P21 nm) indicate that the space group of the post-transition phase is Pnnm. The O-O distance of hydrogen bond in the post-transition phase at 8.2 GPa is 2.439(6) Å and is significantly longer than the predicted distance (2.366 Å) of the hydrogen bond symmetrization in δ-AlOOH. The H distribution in the post-transition phase would display a fully disordered hydrogen bond pattern.
Li, C; Jacques, S D M; Chen, Y; Daisenberger, D; Xiao, P; Markocsan, N; Nylen, P; Cernik, R J
2016-12-01
The average residual stress distribution as a function of depth in an air plasma-sprayed yttria stabilized zirconia top coat used in thermal barrier coating (TBC) systems was measured using synchrotron radiation X-ray diffraction in reflection geometry on station I15 at Diamond Light Source, UK, employing a series of incidence angles. The stress values were calculated from data deconvoluted from diffraction patterns collected at increasing depths. The stress was found to be compressive through the thickness of the TBC and a fluctuation in the trend of the stress profile was indicated in some samples. Typically this fluctuation was observed to increase from the surface to the middle of the coating, decrease a little and then increase again towards the interface. The stress at the interface region was observed to be around 300 MPa, which agrees well with the reported values. The trend of the observed residual stress was found to be related to the crack distribution in the samples, in particular a large crack propagating from the middle of the coating. The method shows promise for the development of a nondestructive test for as-manufactured samples.
Hong, Youngjoon; Nicholls, David P.
2017-02-01
The accurate numerical simulation of linear waves interacting with periodic layered media is a crucial capability in engineering applications. In this contribution we study the stable and high-order accurate numerical simulation of the interaction of linear, time-harmonic waves with a periodic, triply layered medium with irregular interfaces. In contrast with volumetric approaches, High-Order Perturbation of Surfaces (HOPS) algorithms are inexpensive interfacial methods which rapidly and recursively estimate scattering returns by perturbation of the interface shape. In comparison with Boundary Integral/Element Methods, the stable HOPS algorithm we describe here does not require specialized quadrature rules, periodization strategies, or the solution of dense non-symmetric positive definite linear systems. In addition, the algorithm is provably stable as opposed to other classical HOPS approaches. With numerical experiments we show the remarkable efficiency, fidelity, and accuracy one can achieve with an implementation of this algorithm.
1988-02-01
polymers, fiber structure, polybenzothiazoles, 07 04 rigid rod polymers, likad-atom least-squares P-BT 11 1 04 ladder polymer, polybenzoxazoles I...of polymers. The attainment, In these polymers, of mechanical and thermal oxidative properties comparable or superior to those obtained with fiber ...applicability of the LALS refinement method to high performance fibers has been reported. We have Investigated oriented fibers of semi-crystalline poly(aryl
Dmitrienko, V. E.; Ishida, K.; Kirfel, A.; Kokubun, J.; Ovchinnikova, E. N.
2003-01-01
After an introductory survey of the X-ray resonant anisotropy, we present a novel X-ray method to observe thermal-motion-induced (TMI) and point-defect-induced (PDI) distortions of electronic states of atoms. This method uses the idea that, in general, the local atomic environment becomes less symmetric owing to point defects and/or the thermal vibrations of the atoms in a crystal. As a result of this phenomenon, an additional anisotropy of the resonant scattering factors can occur and "forbidden" Bragg reflections can be excited near the absorption edges. Examples of crystals are discussed (Ge, Y3Fe5O12) where TMI and PDI reflections can be found. The tensor structure factors of the both types of reflections are calculated. According to our theory, the TMI reflection structure factors are proportional to the vibration correlations, u∥2 and u⊥2, of neighboring atoms, and it is inferred that u∥2 provides the main contribution to the thermal-motion-induced anisotropy of X-ray resonant scattering. The TMI reflections in Ge were recently observed by Kokubun et al. (Phys. Rev. B64, 073203 (2001)), Kirfel et al. (in press), and Colella et al. (in press) in accordance with our prediction. For the 006 reflection, the intensity increases about 25 times with the temperature increasing from 30 to 735 K. Owing to their resonant character, the PDI reflections allow to separately study both impurity atoms and host atoms of different types. The considered phenomena can provide a very sensitive method for studying point defects because only the atoms that are affected by defects contribute to the PDI reflections.
YAO Ning
1989-01-01
By means of the intensity theory of X- ray scattering and the two - phase concept of high polymer, the basic formula of the crystallinity in block copolymers has been proposed after the corrections of atomic, temperature, absorption, Lorentz and polarization factor. Application of this method to different type poly (oxyethylene - styrene) block copolymers and the same type block copolymers with different EO contents indicates that the crystallinity in poly (oxyethylene - styrene) block copolymers increases with the increase of the EO content and decreases in the order: PEO - PS - PEO ＞ PEO - PS ＞ PS - PEO - PS.
Grazing incidence diffraction : A review
Gilles, B. [LTPCM, ENSEEG. St. Martin d`Heres. (France)
1996-09-01
Different Grazing Incidence Diffraction (GID) methods for the analysis of thin films and multilayer structures are reviewed in three sections: the reflectivity is developed in the first one, which includes the non-specular diffuse scattering. The second one is devoted to the extremely asymmetric Bragg diffraction and the third one to the in-plane Bragg diffraction. Analytical formulations of the scattered intensities are developed for each geometry, in the framework of the kinetical analysis as well as the dynamical theory. Experimental examples are given to illustrate the quantitative possibility of the GID techniques.
Gao, Xin; Luo, Shunqian; Yin, Hongxia; Liu, Bo; Xu, Maolin; Yuan, Qingxi; Gao, Xiulai; Zhu, Peiping
2006-01-01
Diffraction enhanced imaging (DEI) is one of the phase contrast imaging methods using the monochromatic X-ray from synchrotron, which provides information on the out-of-plane angular deviation of X-ray. DEI allows the investigation of micro-structures inside weakly absorbing samples at high spatial resolution without serious radiation exposure. Tomographic techniques can be applied readily to phase contrast images. The combination of DEI and tomography allows for a reconstruction of refractive index gradient distribution inside weakly absorbing samples with micrometer resolution, particularly suited for the 3D observation of micro-organisms and tissues. The existing phase contrast tomography methods based on DEI use phase contrast images as projections, such images contain not only the phase information, but also the absorption information. A novel method (DEI in the tomography mode) was developed to greatly increase the proportion of refraction information in phase contrast images by computing the difference between the two sets of images acquired at different angles of the rocking curve to adopt the projections with a complete set (2pi) for reconstruction. The reconstructed images of cochlea of a guinea pig showed the spatial structures and the micro-features inside the samples. The new method reveals higher spatial resolution compared to the conventional phase contrast tomography methods and is more suitable to the investigation of micro-structures of micro-organisms and tissue materials.
Baran, A. J.; Hesse, Evelyn; Sourdeval, Odran
2017-03-01
Future satellite missions, from 2022 onwards, will obtain near-global measurements of cirrus at microwave and sub-millimetre frequencies. To realise the potential of these observations, fast and accurate light-scattering methods are required to calculate scattered millimetre and sub-millimetre intensities from complex ice crystals. Here, the applicability of the ray tracing with diffraction on facets method (RTDF) in predicting the bulk scalar optical properties and phase functions of randomly oriented hexagonal ice columns and hexagonal ice aggregates at millimetre frequencies is investigated. The applicability of RTDF is shown to be acceptable down to size parameters of about 18, between the frequencies of 243 and 874 GHz. It is demonstrated that RTDF is generally well within about 10% of T-matrix solutions obtained for the scalar optical properties assuming hexagonal ice columns. Moreover, on replacing electromagnetic scalar optical property solutions obtained for the hexagonal ice aggregate with the RTDF counterparts at size parameter values of about 18 or greater, the bulk scalar optical properties can be calculated to generally well within ±5% of an electromagnetic-based database. The RTDF-derived bulk scalar optical properties result in brightness temperature errors to generally within about ±4 K at 874 GHz. Differing microphysics assumptions can easily exceed such errors. Similar findings are found for the bulk scattering phase functions. This finding is owing to the scattering solutions being dominated by the processes of diffraction and reflection, both being well described by RTDF. The impact of centimetre-sized complex ice crystals on interpreting cirrus polarisation measurements at sub-millimetre frequencies is discussed.
Samy, Ali; Dinnebier, Robert E; van Smaalen, Sander; Jansen, Martin
2010-04-01
In a systematic approach, the ability of the Maximum Entropy Method (MEM) to reconstruct the most probable electron density of highly disordered crystal structures from X-ray powder diffraction data was evaluated. As a case study, the ambient temperature crystal structures of disordered alpha-Rb(2)[C(2)O(4)] and alpha-Rb(2)[CO(3)] and ordered delta-K(2)[C(2)O(4)] were investigated in detail with the aim of revealing the ;true' nature of the apparent disorder. Different combinations of F (based on phased structure factors) and G constraints (based on structure-factor amplitudes) from different sources were applied in MEM calculations. In particular, a new combination of the MEM with the recently developed charge-flipping algorithm with histogram matching for powder diffraction data (pCF) was successfully introduced to avoid the inevitable bias of the phases of the structure-factor amplitudes by the Rietveld model. Completely ab initio electron-density distributions have been obtained with the MEM applied to a combination of structure-factor amplitudes from Le Bail fits with phases derived from pCF. All features of the crystal structures, in particular the disorder of the oxalate and carbonate anions, and the displacements of the cations, are clearly obtained. This approach bears the potential of a fast method of electron-density determination, even for highly disordered materials. All the MEM maps obtained in this work were compared with the MEM map derived from the best Rietveld refined model. In general, the phased observed structure factors obtained from Rietveld refinement (applying F and G constraints) were found to give the closest description of the experimental data and thus lead to the most accurate image of the actual disorder.
Samy, A.; Dinnebier, R; van Smaalen, S; Jansen, M
2010-01-01
In a systematic approach, the ability of the Maximum Entropy Method (MEM) to reconstruct the most probable electron density of highly disordered crystal structures from X-ray powder diffraction data was evaluated. As a case study, the ambient temperature crystal structures of disordered {alpha}-Rb{sub 2}[C{sub 2}O{sub 4}] and {alpha}-Rb{sub 2}[CO{sub 3}] and ordered {delta}-K{sub 2}[C{sub 2}O{sub 4}] were investigated in detail with the aim of revealing the 'true' nature of the apparent disorder. Different combinations of F (based on phased structure factors) and G constraints (based on structure-factor amplitudes) from different sources were applied in MEM calculations. In particular, a new combination of the MEM with the recently developed charge-flipping algorithm with histogram matching for powder diffraction data (pCF) was successfully introduced to avoid the inevitable bias of the phases of the structure-factor amplitudes by the Rietveld model. Completely ab initio electron-density distributions have been obtained with the MEM applied to a combination of structure-factor amplitudes from Le Bail fits with phases derived from pCF. All features of the crystal structures, in particular the disorder of the oxalate and carbonate anions, and the displacements of the cations, are clearly obtained. This approach bears the potential of a fast method of electron-density determination, even for highly disordered materials. All the MEM maps obtained in this work were compared with the MEM map derived from the best Rietveld refined model. In general, the phased observed structure factors obtained from Rietveld refinement (applying F and G constraints) were found to give the closest description of the experimental data and thus lead to the most accurate image of the actual disorder.
O. Font; N. Moreno; X. Querol; M. Izquierdo; E. Alvarez; S. Diez; J. Elvira; D. Antenucci; H. Nugteren; F. Plana; A. Lopez; P. Coca; F.G. Pena [Institute of Environmental Assessment and Water Research (IDA-CSIC), Barcelona (Spain)
2010-10-15
The relevance of Al-Si glass in a number of fly ash applications, such as use as a pozzolanic material, zeolite synthesis, and geopolymer production, necessitated research towards investigation of methods for an easy and consistent determination of the glass content in this coal (co)-combustion by-products. A glass standard-addition X-ray powder diffraction (XRD)-based method is proposed in this study as an alternative to the non straightforward procedure of conventional methods for determining the amorphous components, mainly by difference of the total mass and the addition of quantified crystalline species. A >99% Al-Si glass slag sample was selected as a standard for glass. A number of glass standard/fly ash mixtures were performed on Fluidized Bed Combustion (FBC) and pulverized coal combustion (PCC) fly ashes and subsequently analyzed by XRD. The method provides results closer to quantitative proportions of the Al-Si amorphous material of this (co)-combustion by-product, with a range of values <3% when compared with those obtained by the conventional Reference Intensity Method (RIM) method, demonstrating suitability and consistence of the procedure. The mineralogy of FBC and PCC fly ash was also investigated using the RIM method. The occurrence and proportions of the crystalline components in fly ash are in line with the combustion technology and their inherent operational parameters, especially the (co)-combustion temperature. The FBC fly ash shows the highest content of relic phases from feed coal (quartz, illite, calcite, and feldspars) and lower contents of amorphous components. The PCC fly ash are characterized by the highest proportions of mullite and Al-Si glass and low contents of quartz an other relict phases. The occurrence and distribution of anhydrite and Fe-oxide species appears to be related to the content of Ca and Fe in the feed fuels, showing slightly higher contents in FBC than in PCC fly ash. 26 refs., 3 figs., 5 tabs.
Quintero, M.; Quintero, E.; Moreno, E.; Alvarez, S.; Rincon, C.; Grima, P.; Bocaranda, P.; Rivero, D. [Universidad de Los Andes, Centro de Estudios de Semiconductores, 5101 Merida (Venezuela, Bolivarian Republic of); Marquina, J. [Universidad de Los Andes, Centro de Estudios Avanzados en Optica, 5101 Merida (Venezuela, Bolivarian Republic of); Henao, J. A.; Macias, M. A., E-mail: mquinterg@gmail.com [Universidad Industrial de Santander, Facultad de Ciencias, Escuela de Quimica, Grupo de Investigacion en Quimica Estructural, Apdo. Aereo 678, Bucaramanga (Colombia)
2014-07-01
Room temperature X-ray powder diffraction measurements were carried out on nine polycrystalline samples of the Cu{sub 2}B{sup II}C{sup IV}X{sub 4} (B=Mn, or Fe, or Co; C=Si, or Ge, or Sn; X=S, or Se or Te) magnetic semiconductor compounds. The diffraction patterns were used to show the equilibrium conditions and to derive crystalline parameters values. The results showed that four of these compounds have a tetragonal stan nite structure with space group 142 m(N{sup o} 121), two and orthorhombic wurtz-stan nite structure with space group Pmn2{sub 1}(N{sup o} 31) and three of them and orthorhombic pseudo-cubic structure with space group F222 (N{sup o} 22). In each case, the structure was refined using the Rietveld method. When the obtained atomic parameter values for the tetragonal compounds were plotted as a function of molecular weight W, it was found that the values of the atomic positions, the cation-anion bond distances, tetragonal distortion and internal distortion of the compounds containing S and /or Se lay on different lines. Also, it was found that when the experimental points of the cation-anion bond distances d{sub Cu-VI}, d{sub II-VI} and d{sub IV-VI} were plotted against the effective lattice parameter a{sub c} = (V/N){sup 1/3}, a linear variation of these distances with a{sub c} was obtained. Values of the ionic energy gap C{sub i} and homopolar energy gap E{sub h} using the Phillips-Van Vechten scheme, with the present experimental crystallographic results as well as using the atomic data, were determined. It was found that the observed and predicted values of C{sub i} and E{sub h} lie on the same straight line. (Author)
Diffraction coherence in optics
Françon, M; Green, L L
2013-01-01
Diffraction: Coherence in Optics presents a detailed account of the course on Fraunhofer diffraction phenomena, studied at the Faculty of Science in Paris. The publication first elaborates on Huygens' principle and diffraction phenomena for a monochromatic point source and diffraction by an aperture of simple form. Discussions focus on diffraction at infinity and at a finite distance, simplified expressions for the field, calculation of the path difference, diffraction by a rectangular aperture, narrow slit, and circular aperture, and distribution of luminous flux in the airy spot. The book th
The diffractive achromat full spectrum computational imaging with diffractive optics
Peng, Yifan
2016-07-11
Diffractive optical elements (DOEs) have recently drawn great attention in computational imaging because they can drastically reduce the size and weight of imaging devices compared to their refractive counterparts. However, the inherent strong dispersion is a tremendous obstacle that limits the use of DOEs in full spectrum imaging, causing unacceptable loss of color fidelity in the images. In particular, metamerism introduces a data dependency in the image blur, which has been neglected in computational imaging methods so far. We introduce both a diffractive achromat based on computational optimization, as well as a corresponding algorithm for correction of residual aberrations. Using this approach, we demonstrate high fidelity color diffractive-only imaging over the full visible spectrum. In the optical design, the height profile of a diffractive lens is optimized to balance the focusing contributions of different wavelengths for a specific focal length. The spectral point spread functions (PSFs) become nearly identical to each other, creating approximately spectrally invariant blur kernels. This property guarantees good color preservation in the captured image and facilitates the correction of residual aberrations in our fast two-step deconvolution without additional color priors. We demonstrate our design of diffractive achromat on a 0.5mm ultrathin substrate by photolithography techniques. Experimental results show that our achromatic diffractive lens produces high color fidelity and better image quality in the full visible spectrum. © 2016 ACM.
Smith, D. K.; Smith, K. L.
1980-01-01
Reviews applications in research and analytical characterization of compounds and materials in the field of X-ray diffraction, emphasizing new developments in applications and instrumentation in both single crystal and powder diffraction. Cites 414 references. (CS)
Smith, D. K.; Smith, K. L.
1980-01-01
Reviews applications in research and analytical characterization of compounds and materials in the field of X-ray diffraction, emphasizing new developments in applications and instrumentation in both single crystal and powder diffraction. Cites 414 references. (CS)
Soleimanian, V., E-mail: vishtasb@iust.ac.ir [Department of Physics, Faculty of Sciences, Shahrekord University, P.O. Box 115, Shahrekord (Iran, Islamic Republic of); Nanotechnology Research Center, Shahrekord University, 8818634141 Shahrekord (Iran, Islamic Republic of); Mojtahedi, M.; Goodarzi, M.; Aboutalebi, M.R. [School of Materials Science and Engineering, Iran University of Science and Technology, Farjam Street, Narmak Tehran 16846-13114 (Iran, Islamic Republic of)
2014-03-25
Highlights: • Various microstructural features of mechanically alloyed Cu–Fe are investigated simultaneously. • The crystallite size and size distribution are calculated via refinement of XRD profiles. • Using the eCMWP method, characteristics of dislocations are studied as a function of milling time and composition. • The probability of stacking faults are calculated. -- Abstract: Developments in the synthesis of nanostructured materials have expanded the need for appropriate characterization methods. The aim of this work is to apply new X-ray diffraction analysis methods for simultaneous investigation of various microstructural characteristics. For this purpose, the structure of mechanically alloyed Cu–Fe system with three compositions of 30 wt%, 50% and 70% of iron was studied. By applying the modified Williamson-Hall method, the type of dislocations in the FCC phase is distinguished. Afterwards by modification of previous XRD analysis methods, the proportion of edge/screw dislocations was characterized. Moreover, the outer cut-off radius, the density and energy of dislocations were calculated as a function of the composition and the milling time. On the other hand, using the extended convolutional multiple whole profile fitting procedure, the variations in the crystallite size and size distribution of FCC and BCC phases were studied. Finally, the stacking fault probability was calculated in different milled samples. It is revealed that smaller steady state crystallite size of samples with higher Fe content, is relevant to reduction of the outer cut-off radius of dislocation. On the other hand, the density of dislocations and stacking faults increased continuously up to 96 h of milling.
M. Aliabadi
2007-10-01
Full Text Available Introduction & Objective: Determination of free silica to calculate threshold limit value is necessary. The purpose of this research was study of free silica in particulate emission in ambient air of stone crushing workshops in Azandarian area.Materials & Methods: 40 samples of respirable dust from workplace air were obtained in breathing zone of workers in different job stations. Samples were taken with personal samples pumps attach to cyclones and analyzed by a gravitmetric method and X –Ray Diffraction. Results: The results were showed that mean concentration of respirable dust and quartz in workshops (type 2 was equal to 1.17-1.24 mg/m3 and 0.94-1.03 mg/m3 respectively, and also in workshops (type 1 was equal to 0.81-1.07mg/m3 and 0.79-1.05 mg/m3 respectively. Free silica rate in ambient air of workshops type1 and type2 was 97.5% and 81.3% respectively. Difference of free silica rate in two types of workshops was statistically significant (p=0.0001. Conclusion: The comparison of time weighted average of respirable dust concentration with threshold limit value showed concentration of respirable particles was less than threshold limit value.
Ruka, Dianne R; Sangwan, Parveen; Garvey, Christopher J; Simon, George P; Dean, Katherine M
2015-08-18
Poly-3-hydroxybutyrate (PHB) and bacterial cellulose (BC) are both natural polymeric materials that have the potential to replace traditional, nonrenewable polymers. In particular, the nanofibrillar form of bacterial cellulose makes it an effective reinforcement for PHB. Neat PHB, bacterial cellulose, and a composite of PHB/BC produced with 10 wt % cellulose were composted under accelerated aerobic test conditions, with biodegradability measured by the carbon dioxide evolution method, in conjunction with spectroscopic and diffraction methods to assess crystallinity changes during the biodegradation process. The PHB/BC composite biodegraded at a greater rate and extent than that of PHB alone, reaching 80% degradation after 30 days, whereas PHB did not reach this level of degradation until close to 50 days of composting. The relative crystallinity of PHB and PHB in the PHB/BC composite was found to increase in the initial weeks of degradation, with degradation occurring primarily in the amorphous region of the material and some recrystallization of the amorphous PHB. Small angle X-ray scattering indicates that the change in PHB crystallinity is accompanied by a change in morphology of semicrystalline lamellae. The increased rate of biodegradability suggests that these materials could be applicable to single-use applications and could rapidly biodegrade in compost on disposal.
Stanley, Jacob; Dai, Yeling; Boucheron, Leandra; Shpyrko, Oleg, E-mail: lin@cars.uchicago.edu, E-mail: oshpyrko@physics.ucsd.edu [University of California, San Diego, La Jolla, California 92093 (United States); Lin, Binhua, E-mail: lin@cars.uchicago.edu, E-mail: oshpyrko@physics.ucsd.edu; Meron, Mati [Center for Advanced Radiation Sources (CARS), University of Chicago, Chicago, Illinois 60637 (United States)
2015-06-15
Iron oxide nanoparticles undergo self-assembly into well-ordered monolayer films of macroscopic size at the air-water interface. This self-assembly process is the result of the van der Waals forces between the constituent particles. For roughly spherical particles, this monolayer is a 2D hexagonal close packed lattice. With Grazing Incidence X-Ray Diffraction (GID), one can obtain global statistical information about the film’s spacing and correlation length. Herein, we demonstrate that comparable structural information can be obtained by a novel Fourier transform analysis method applied to Scanning Electron Microscopy (SEM) images taken of the film after it has been transferred to a silicon substrate. This consists of using numerical methods to isolate the lattice structure of the monolayer in the SEM image to which a 2D discrete Fourier Transform is applied and the result integrated. This results in Bragg peak information akin to that obtained from GID, whose structure shows the same hexagonal close packed lattice with similar spacing and of greater peak contrast. This analysis technique may prove to be a suitable alternative or compliment to GID for many applications.
Abboud, A; Kirchlechner, C; Send, S; Micha, J S; Ulrich, O; Pashniak, N; Strüder, L; Keckes, J; Pietsch, U
2014-11-01
μLaue diffraction with a polychromatic X-ray beam can be used to measure strain fields and crystal orientations of micro crystals. The hydrostatic strain tensor can be obtained once the energy profile of the reflections is measured. However, this remains a challenge both on the time scale and reproducibility of the beam position on the sample. In this review, we present a new approach to obtain the spatial and energy profiles of Laue spots by using a pn-junction charge-coupled device, an energy-dispersive area detector providing 3D resolution of incident X-rays. The morphology and energetic structure of various Bragg peaks from a single crystalline Cu micro-cantilever used as a test system were simultaneously acquired. The method facilitates the determination of the Laue spots' energy spectra without filtering the white X-ray beam. The synchrotron experiment was performed at the BM32 beamline of ESRF using polychromatic X-rays in the energy range between 5 and 25 keV and a beam size of 0.5 μm × 0.5 μm. The feasibility test on the well known system demonstrates the capabilities of the approach and introduces the "3D detector method" as a promising tool for material investigations to separate bending and strain for technical materials.
Rahman, Ziyaur; Siddiqui, Akhtar; Bykadi, Srikant; Khan, Mansoor A
2014-11-20
Clinical performance of an amorphous solid dispersion (ASD) drug product is related to the amorphous drug content because of the greater bioavailability of this form of the drug than its crystalline form. Therefore, it is paramount to monitor the amorphous and the crystalline fractions in the ASD products. The objective of the present investigation was to study the feasibility of using a standardized X-ray powder diffraction (XRPD) in conjunction with chemometric methods to quantitate the amorphous and crystalline fraction of the drug in several tacrolimus ASD products. Three ASD products were prepared in which drug to excipients ratios ranged from 1:19 to 1:49. The amorphous and crystalline drug products were mixed in various proportions so that amorphous/crystalline tacrolimus in the samples vary from 0 to 100%. XRPD of the samples of the drug products were collected, and PLSR and PCR chemometric methods were applied to the data. The R(2) was greater than '0.987' for all the models and bias in the models were statistically insignificant (p>0.05). RMSEP and SEP values were smaller for PLSR models than PCR models. The models prediction capabilities were good and can predict as low as 10% when drug to excipient ratio is as high as 1:49. In summary, XRPD and chemometric provide powerful analytical tools to monitor the crystalline fractions of the drug in the ASD products.
Diffractive production of mesons
Schicker, R
2014-01-01
The interest in the study of diffractive meson production is discussed. The description of diffraction within Regge phenomenology is presented, and the QCD-based understanding of diffractive processes is given. Central production is reviewed, and the corresponding main results from the COMPASS experiment and from the experiments at the ISR, RHIC, TEVATRON and LHC collider are summarised.
Robustness via Diffractal Architectures
Moocarme, Matthew
2015-01-01
When plane waves diffract through fractal-patterned apertures, the resulting far-field profiles or diffractals also exhibit iterated, self-similar features. Here we show that this specific architecture enables robust signal processing and spatial multiplexing: arbitrary parts of a diffractal contain sufficient information to recreate the entire original sparse signal.
Diffractive production of mesons
Schicker Rainer
2014-01-01
Full Text Available The interest in the study of diffractive meson production is discussed. The description of diffraction within Regge phenomenology is presented, and the QCD-based understanding of diffractive processes is given. Central production is reviewed, and the corresponding main results from the COMPASS experiment and from the experiments at the ISR, RHIC, TEVATRON and LHC collider are summarised.
Can Kinematic Diffraction Distinguish Order from Disorder?
Baake, Michael
2008-01-01
Diffraction methods are at the heart of structure determination of solids. While Bragg-like scattering (pure point diffraction) is a characteristic feature of crystals and quasicrystals, it is not straightforward to interpret continuous diffraction intensities, which are generally linked to the presence of disorder. However, based on simple model systems, we demonstrate that it may be impossible to draw conclusions on the degree of order in the system from its diffraction image. In particular, we construct a family of one-dimensional binary systems which cover the entire entropy range but still share the same purely diffuse diffraction spectrum.
Kodama, Wataru; Nakasako, Masayoshi
2011-08-01
Coherent x-ray diffraction microscopy is a novel technique in the structural analyses of particles that are difficult to crystallize, such as the biological particles composing living cells. As water is indispensable for maintaining particles in functional structures, sufficient hydration of targeted particles is required during sample preparation for diffraction microscopy experiments. However, the water enveloping particles also contributes significantly to the diffraction patterns and reduces the electron-density contrast of the sample particles. In this study, we propose a protocol for the structural analyses of particles in water by applying a three-dimensional reconstruction method in real space for the projection images phase-retrieved from diffraction patterns, together with a developed density modification technique. We examined the feasibility of the protocol through three simulations involving a protein molecule in a vacuum, and enveloped in either a droplet or a cube-shaped water. The simulations were carried out for the diffraction patterns in the reciprocal planes normal to the incident x-ray beam. This assumption and the simulation conditions corresponded to experiments using x-ray wavelengths of shorter than 0.03 Å. The analyses demonstrated that our protocol provided an interpretable electron-density map. Based on the results, we discuss the advantages and limitations of the proposed protocol and its practical application for experimental data. In particular, we examined the influence of Poisson noise in diffraction patterns on the reconstructed three-dimensional electron density in the proposed protocol.
Kim, Joon-Suk; Lee, Hae-Woo
2016-12-01
The grain size and the texture of three specimens prepared at different heat inputs were determined using optical microscopy and the electron backscatter diffraction method of scanning electron microscopy. Each specimen was equally divided into fusion line zone (FLZ), columnar dendrite zone (CDZ), and surface zone (SZ), according to the location of the weld. Fine dendrites were observed in the FLZ, coarse dendrites in the CDZ, and dendrites grew perpendicular to the FLZ and CDZ. As the heat input increased, the melted zone in the vicinity of the FLZ widened due to the higher Fe content. A lower image quality value was observed for the FLZ compared to the other zones. The results of grain size measurement in each zone showed that the grain size of the SZ became larger as the heat input increased. From the inverse pole figure (IPF) map in the normal direction (ND) and the rolling direction (RD), as the heat input increased, a specific orientation was formed. However, a dominant [001] direction was observed in the RD IPF map.
Choi, K. S.; Liu, W. N.; Sun, X.; Khaleel, M. A.; Ren, Y.; Wang, Y. D.
2008-12-01
Compared to other advanced high-strength steels, transformation-induced plasticity (TRIP) steels exhibit better ductility at a given strength level and can be used to produce complicated automotive parts. This enhanced formability comes from the transformation of retained austenite to martensite during plastic deformation. In this study, as a first step in predicting optimum processing parameters in TRIP steel productions, a micromechanical finite element model is developed based on the actual microstructure of a TRIP 800 steel. The method uses a microstructure-based representative volume element (RVE) to capture the complex deformation behavior of TRIP steels. The mechanical properties of the constituent phases of the TRIP 800 steel and the fitting parameters describing the martensite transformation kinetics are determined using the synchrotron-based in-situ high-energy X-ray diffraction (HEXRD) experiments performed under a uniaxial tensile deformation. The experimental results suggest that the HEXRD technique provides a powerful tool for characterizing the phase transformation behavior and the microstress developed due to the phase-to-phase interaction of TRIP steels during deformation. The computational results suggest that the response of the RVE well represents the overall macroscopic behavior of the TRIP 800 steel under deformation. The methodology described in this study may be extended for studying the effects of the various processing parameters on the macroscopic behaviors of TRIP steels.
Antonella Albino
2011-09-01
Full Text Available Glutathione synthetases catalyze the ATP-dependent synthesis of glutathione from L-γ-glutamyl-L-cysteine and glycine. Although these enzymes have been sequenced and characterized from a variety of biological sources, their exact catalytic mechanism is not fully understood and nothing is known about their adaptation at extremophilic environments. Glutathione synthetase from the Antarctic eubacterium Pseudoalteromonas haloplanktis (PhGshB has been expressed, purified and successfully crystallized. An overall improvement of the crystal quality has been obtained by adapting the crystal growth conditions found with vapor diffusion experiments to the without-oil microbatch method. The best crystals of PhGshB diffract to 2.34 Å resolution and belong to space group P212121, with unit-cell parameters a = 83.28 Å, b = 119.88 Å, c = 159.82 Å. Refinement of the model, obtained using phases derived from the structure of the same enzyme from Escherichia coli by molecular replacement, is in progress. The structural determination will provide the first structural characterization of a psychrophilic glutathione synthetase reported to date.
Radial Reflection Diffraction Tomography
Lehman, S K; Norton, S J
2003-10-10
We develop a wave-based tomographic imaging algorithm based upon a single rotating radially outward oriented transducer. At successive angular locations at a fixed radius, the transducer launches a primary field and collects the backscattered field in a ''pitch/catch'' operation. The hardware configuration, operating mode, and data collection method is identical to that of most medical intravascular ultrasound (IVUS) systems. IVUS systems form images of the medium surrounding the probe based upon ultrasonic B-scans, using a straight-ray model of sound propagation. Our goal is to develop a wave-based imaging algorithm using diffraction tomography techniques. Given the hardware configuration and the imaging method, we refer to this system as ''radial reflection diffraction tomography.'' We consider two hardware configurations: a multimonostatic mode using a single transducer as described above, and a multistatic mode consisting of a single transmitter and an aperture formed by multiple receivers. In this latter case, the entire source/receiver aperture rotates about the fixed radius. Practically, such a probe is mounted at the end of a catheter or snaking tube that can be inserted into a part or medium with the goal of forming images of the plane perpendicular to the axis of rotation. We derive an analytic expression for the multimonostatic inverse but ultimately use the new Hilbert space inverse wave (HSIW) algorithm to construct images using both operating modes. Applications include improved IVUS imaging, bore hole tomography, and non-destructive evaluation (NDE) of parts with existing access holes.
Robustness of Cantor diffractals.
Verma, Rupesh; Sharma, Manoj Kumar; Banerjee, Varsha; Senthilkumaran, Paramasivam
2013-04-08
Diffractals are electromagnetic waves diffracted by a fractal aperture. In an earlier paper, we reported an important property of Cantor diffractals, that of redundancy [R. Verma et. al., Opt. Express 20, 8250 (2012)]. In this paper, we report another important property, that of robustness. The question we address is: How much disorder in the Cantor grating can be accommodated by diffractals to continue to yield faithfully its fractal dimension and generator? This answer is of consequence in a number of physical problems involving fractal architecture.
A comment on the relation between diffraction and entropy
Baake, Michael
2012-01-01
Diffraction methods are used to detect atomic order in solids. While uniquely ergodic systems with pure point diffraction have zero entropy, the relation between diffraction and entropy is not as straightforward in general. In particular, there exist families of homometric systems, which are systems sharing the same diffraction, with varying entropy. We summarise the present state of understanding by several characteristic examples.
Calculation of Loudspeaker Cabinet Diffraction and Correction
LE Yi; SHEN Yong; XIA Jie
2011-01-01
A method of calculating the cabinet edge diffractions for loudspeaker driver when mounted in an enclosure is proposed,based on the extended Biot-Tolstoy-Medwin model.Up to the third order,cabinet diffractions are discussed in detail and the diffractive effects on the radiated sound field of the loudspeaker system are quantitatively described,with a correction function built to compensate for the diffractive interference.The method is applied to a practical loudspeaker enclosure that has rectangular facets.The diffractive effects of the cabinet on the forward sound radiation are investigated and predictions of the calculations show quite good agreements with experimental measurements.Most loudspeaker systems employ box-like cabinets.The response of a loudspeaker mounted in a box is much rougher than that of the same driver mounted on a large baffle.Although resonances in the box are partly responsible for the lack of smoothness,a major contribution is the diffraction of the cabinet edges,which aggravates the final response performance.Consequently,an analysis of the cabinet diffraction problem is required.%A method of calculating the cabinet edge diffractions for loudspeaker driver when mounted in an enclosure is proposed, based on the extended Biot-Tolstoy-Medwin model. Up to the third order, cabinet diffractions are discussed in detail and the diffractive effects on the radiated sound field of the loudspeaker system are quantitatively described, with a correction function built to compensate for the diffractive interference. The method is applied to a practical loudspeaker enclosure that has rectangular facets. The diffractive effects of the cabinet on the forward sound radiation are investigated and predictions of the calculations show quite good agreements with experimental measurements.
Surprises in aperiodic diffraction
Baake, Michael
2009-01-01
Mathematical diffraction theory is concerned with the diffraction image of a given structure and the corresponding inverse problem of structure determination. In recent years, the understanding of systems with continuous and mixed spectra has improved considerably. Moreover, the phenomenon of homometry shows various unexpected new facets. Here, we report on some of the recent results in an exemplary and informal fashion.
In-plane X-ray diffraction study of the C-60/Au(110) p(6x5) reconstructed surface by direct methods
Torrelles, X.; Rius, J.; Pedio, M.; Felici, R.; Rudolf, P.; Ferrer, S.; Miravitlles, C.; Alvarez, J.
1999-01-01
Adsorption of C60 on the highly anisotropic Au(110) 1 × 2 reconstructed surface leads to an ordered quasi hexagonal 6 × 5 superstructure. This interfacial reconstruction has been investigated by grazing incidence X-ray diffraction. Analysis of the in-plane data set reveals four C60 molecules per (6
In-plane X-ray diffraction study of the C-60/Au(110) p(6x5) reconstructed surface by direct methods
Torrelles, X.; Rius, J.; Pedio, M.; Felici, R.; Rudolf, P.; Ferrer, S.; Miravitlles, C.; Alvarez, J.
1999-01-01
Adsorption of C60 on the highly anisotropic Au(110) 1 × 2 reconstructed surface leads to an ordered quasi hexagonal 6 × 5 superstructure. This interfacial reconstruction has been investigated by grazing incidence X-ray diffraction. Analysis of the in-plane data set reveals four C60 molecules per (6
Frances, J.; Perez-Molina, M.; Bleda, S.; Fernandez, E.; Neipp, C.; Belendez, A.
2012-01-01
Interference and diffraction of light are elementary topics in optics. The aim of the work presented here is to develop an accurate and cheap optical-system simulation software that provides a virtual laboratory for studying the effects of propagation in both time and space for the near- and far-field regions. In laboratory sessions, this software…
Frances, J.; Perez-Molina, M.; Bleda, S.; Fernandez, E.; Neipp, C.; Belendez, A.
2012-01-01
Interference and diffraction of light are elementary topics in optics. The aim of the work presented here is to develop an accurate and cheap optical-system simulation software that provides a virtual laboratory for studying the effects of propagation in both time and space for the near- and far-field regions. In laboratory sessions, this software…
Shreeman, Paul K.
The statistical dynamical diffraction theory, which has been initially developed by late Kato remained in obscurity for many years due to intense and difficult mathematical treatment that proved to be quite challenging to implement and apply. With assistance of many authors in past (including Bushuev, Pavlov, Pungeov, and among the others), it became possible to implement this unique x-ray diffraction theory that combines the kinematical (ideally imperfect) and dynamical (the characteristically perfect diffraction) into a single system of equations controlled by two factors determined by long range order and correlation function within the structure. The first stage is completed by the publication (Shreeman and Matyi, J. Appl. Cryst., 43, 550 (2010)) demonstrating the functionality of this theory with new modifications hence called modified statistical dynamical diffraction theory (mSDDT). The foundation of the theory is also incorporated into this dissertation, and the next stage of testing the model against several ion-implanted SiGe materials has been published: (Shreeman and Matyi, physica status solidi (a)208(11), 2533-2538, 2011). The dissertation with all the previous results summarized, dives into comprehensive analysis of HRXRD analyses complete with several different types of reflections (symmetrical, asymmetrical and skewed geometry). The dynamical results (with almost no defects) are compared with well-known commercial software. The defective materials, to which commercially available modeling software falls short, is then characterized and discussed in depth. The results will exemplify the power of the novel approach in the modified statistical dynamical diffraction theory: Ability to detect and measure defective structures qualitatively and quantitatively. The analysis will be compared alongside with TEM data analysis for verification and confirmation. The application of this theory will accelerate the ability to quickly characterize the relaxed
Diffraction Correlation to Reconstruct Highly Strained Particles
Brown, Douglas; Harder, Ross; Clark, Jesse; Kim, J. W.; Kiefer, Boris; Fullerton, Eric; Shpyrko, Oleg; Fohtung, Edwin
2015-03-01
Through the use of coherent x-ray diffraction a three-dimensional diffraction pattern of a highly strained nano-crystal can be recorded in reciprocal space by a detector. Only the intensities are recorded, resulting in a loss of the complex phase. The recorded diffraction pattern therefore requires computational processing to reconstruct the density and complex distribution of the diffracted nano-crystal. For highly strained crystals, standard methods using HIO and ER algorithms are no longer sufficient to reconstruct the diffraction pattern. Our solution is to correlate the symmetry in reciprocal space to generate an a priori shape constraint to guide the computational reconstruction of the diffraction pattern. This approach has improved the ability to accurately reconstruct highly strained nano-crystals.
Accurate Charge Densities from Powder Diffraction
Bindzus, Niels; Wahlberg, Nanna; Becker, Jacob;
Synchrotron powder X-ray diffraction has in recent years advanced to a level, where it has become realistic to probe extremely subtle electronic features. Compared to single-crystal diffraction, it may be superior for simple, high-symmetry crystals owing to negligible extinction effects and minimal...... of conventional and novel extraction methods....
Hernandez-Figueroa, Hugo E; Recami, Erasmo
2013-01-01
This continuation and extension of the successful book ""Localized Waves"" by the same editors brings together leading researchers in non-diffractive waves to cover the most important results in their field and as such is the first to present the current state.The well-balanced presentation of theory and experiments guides readers through the background of different types of non-diffractive waves, their generation, propagation, and possible applications. The authors include a historical account of the development of the field, and cover different types of non-diffractive waves, including Airy
Coherent diffractive {rho} production
Hyett, N.M.; Tovey, S.N. [Melbourne Univ., Parkville, VIC (Australia). School of Physics
1995-12-31
Coherent diffractive {rho} production by neutrinos occurs at low four-momentum transfer and high energy transfer. These interactions are generally understood to occur via the coupling of the weak charged current to the vector meson, which scatters diffractively from the target nucleus. Since coherent events are those in which the nucleus interacts as a whole, ie without breakup, and with small recoil energy, these events have a very sharp |t|-distribution. This presentation deals mostly with the Monte Carlo simulation of the coherent diffractive production of the {rho} production and in particular with the reconstruction algorithm (description and efficiency) and the |t| distribution. 4 refs., 1 fig.
René de Cotret, Laurent P.; Siwick, Bradley J.
2016-01-01
The general problem of background subtraction in ultrafast electron powder diffraction (UEPD) is presented with a focus on the diffraction patterns obtained from materials of moderately complex structure which contain many overlapping peaks and effectively no scattering vector regions that can be considered exclusively background. We compare the performance of background subtraction algorithms based on discrete and dual-tree complex (DTCWT) wavelet transforms when applied to simulated UEPD data on the M1–R phase transition in VO2 with a time-varying background. We find that the DTCWT approach is capable of extracting intensities that are accurate to better than 2% across the whole range of scattering vector simulated, effectively independent of delay time. A Python package is available. PMID:28083543
Laurent P. René de Cotret
2017-07-01
Full Text Available The general problem of background subtraction in ultrafast electron powder diffraction (UEPD is presented with a focus on the diffraction patterns obtained from materials of moderately complex structure which contain many overlapping peaks and effectively no scattering vector regions that can be considered exclusively background. We compare the performance of background subtraction algorithms based on discrete and dual-tree complex (DTCWT wavelet transforms when applied to simulated UEPD data on the M1–R phase transition in VO2 with a time-varying background. We find that the DTCWT approach is capable of extracting intensities that are accurate to better than 2% across the whole range of scattering vector simulated, effectively independent of delay time. A Python package is available.
Causin, Valerio; Marega, Carla; Carresi, Pietro; Schiavone, Sergio; Marigo, Antonio
2007-05-03
Thirty-three shopping bags, commonly encountered in the packaging of drug doses, were characterized by wide angle X-ray diffraction (WAXD). Using this single technique, without sample preparation, nearly all the considered samples could be differentiated, achieving a discriminating power of 0.992. The rather large degree of variability existing in grocery bags, even though they are mass produced, was shown, confirming that these items can be useful in tracing the source of illicit drug doses.
Genetic Synthesis of the Diffraction Profile
Stanislav Jurecka
2004-01-01
Full Text Available In this paper we describe theoretical synthesis of the x-ray diffraction line profile as a superposition of the spectral components Ka1 and Ka2 optimized to the experimental data by the genetic algorithm and nonlinear optimization methods 'Nelder-Mead downhill simplex' and Levenberg-Marquardt method. Such combination of global and local optimization methods results in a mathematical model of the diffraction profile, providing reliable determininig of diffraction line characteristics for the material structure properties study. Experimetal results of the optimization preocedures are given too.
Uniting Electron Crystallography and Powder Diffraction
Shankland, Kenneth; Meshi, Louisa; Avilov, Anatoly; David, William
2012-01-01
The polycrystalline and nanocrystalline states play an increasingly important role in exploiting the properties of materials, encompassing applications as diverse as pharmaceuticals, catalysts, solar cells and energy storage. A knowledge of the three-dimensional atomic and molecular structure of materials is essential for understanding and controlling their properties, yet traditional single-crystal X-ray diffraction methods lose their power when only polycrystalline and nanocrystalline samples are available. It is here that powder diffraction and single-crystal electron diffraction techniques take over, substantially extending the range of applicability of the crystallographic principles of structure determination. This volume, a collection of teaching contributions presented at the Crystallographic Course in Erice in 2011, clearly describes the fundamentals and the state-of-the-art of powder diffraction and electron diffraction methods in materials characterisation, encompassing a diverse range of discipl...
Pretorius, C
2010-11-01
Full Text Available determines how the dust is distributed on the filter (analysis area of XRD vs FTIR). Current research Acknowledgements The Mine Health and Safety Council (MHSC) of South Africa provided the funding for this research project (SIM 080601) References 1.... ?MDHS 101. Direct-on-filter analysis by infrared spectroscopy and X-ray diffraction?, February 2005, Health and Safety Laboratory: Methods for the Determination of Hazardous Substances. 2. Occupational Health and Safety Administration (OSHA), Quartz...
Shu, F. [State Univ. of New York, Stony Brook, NY (United States); Ramakrishnan, V. [Brookhaven National Laboratory, Upton, NY (United States); Schoenborn, B.P. [Los Alamos National Laboratory, NM (United States)
1994-12-31
Neutron diffraction has become one of the best ways to study light atoms, such as hydrogens. Hydrogen however has a negative coherent scattering factor, and a large incoherent scattering factor, while deuterium has virtually no incoherent scattering, but a large positive coherent scattering factor. Beside causing high background due to its incoherent scattering, the negative coherent scattering of hydrogen tends to cancel out the positive contribution from other atoms in a neutron density map. Therefore a fully deuterated sample will yield better diffraction data with stronger density in the hydrogen position. On this basis, a sperm whale myoglobin gene modified to include part of the A cII protein gene has been cloned into the T7 expression system. Milligram amounts of fully deuterated holo-myoglobin have been obtained and used for crystallization. The synthetic sperm whale myoglobin crystallized in P2{sub 1} space group isomorphous with the native protein crystal. A complete X-ray diffraction dataset at 1.5{Angstrom} has been collected. This X-ray dataset, and a neutron data set collected previously on a protonated carbon-monoxymyoglobin crystal have been used for solvent structure studies. Both X-ray and neutron data have shown that there are ordered hydration layers around the protein surface. Solvent shell analysis on the neutron data further has shown that the first hydration layer behaves differently around polar and apolar regions of the protein surface. Finally, the structure of per-deuterated myoglobin has been refined using all reflections to a R factor of 17%.
M D Joseph Sebastian; B Rudraswamy; M C Radhakrishna; Ramani
2003-08-01
Cobalt ferrite (Co$_x$Fe$_{3–x}$O4) is prepared in powder form by thermal decomposition of iron and cobalt salts and is analysed by X-ray diffraction and Mössbauer spectroscopic techniques. The variation of Mössbauer parameters, lattice parameters and crystallite size of the products formed with variation in the composition of Fe and Co ratios are studied. The studies confirm the formation of nano-size cobalt ferrite particles with defect structure and it is found to be maximum for the Fe : Co = 60 : 40 ratio of the initial precursor oxides.
Liermann, H; Merkel, S; Miyagi, L; Wenk, H; Shen, G; Cynn, H; Evans, W J
2009-07-15
We introduce the design and capabilities of a new resistive heated diamond anvil cell that can be used for side diffraction at simultaneous high-pressure and -temperature. The device can be used to study lattice-preferred orientations in polycrystalline samples up to temperatures of 1100 K and pressures of 36 GPa. Capabilities of the instrument are demonstrated with preliminary results on the development of textures in the BCC, FCC and HCP polymorphs of iron during a non-hydrostatic compression experiment at simultaneous high-pressure and -temperature.
Diffractive triangulation of radiative point sources
Vespucci, Stefano; Maneuski, Dzmitry; O'Shea, Val; Winkelmann, Aimo
2016-01-01
We describe a general method to determine the location of a point source of waves relative to a two-dimensional active pixel detector. Based on the inherent structural sensitivity of crystalline sensor materials, characteristic detector diffraction patterns can be used to triangulate the location of a wave emitter. As a practical application of the wide-ranging principle, a digital hybrid pixel detector is used to localize a source of electrons for Kikuchi diffraction pattern measurements in the scanning electron microscope. This provides a method to calibrate Kikuchi diffraction patterns for accurate measurements of microstructural crystal orientations, strains, and phase distributions.
Diffraction analysis of the microstructure of materials
Scardi, Paolo
2004-01-01
Diffraction Analysis of the Microstructure of Materials provides an overview of diffraction methods applied to the analysis of the microstructure of materials. Since crystallite size and the presence of lattice defects have a decisive influence on the properties of many engineering materials, information about this microstructure is of vital importance in developing and assessing materials for practical applications. The most powerful and usually non-destructive evaluation techniques available are X-ray and neutron diffraction. The book details, among other things, diffraction-line broadening methods for determining crystallite size and atomic-scale strain due, e.g. to dislocations, and methods for the analysis of residual (macroscale) stress. The book assumes only a basic knowledge of solid-state physics and supplies readers sufficient information to apply the methods themselves.
Phase Aberrations in Diffraction Microscopy
Marchesini, S; Chapman, H N; Barty, A; Howells, M R; Spence, J H; Cui, C; Weierstall, U; Minor, A M
2005-09-29
In coherent X-ray diffraction microscopy the diffraction pattern generated by a sample illuminated with coherent x-rays is recorded, and a computer algorithm recovers the unmeasured phases to synthesize an image. By avoiding the use of a lens the resolution is limited, in principle, only by the largest scattering angles recorded. However, the imaging task is shifted from the experiment to the computer, and the algorithm's ability to recover meaningful images in the presence of noise and limited prior knowledge may produce aberrations in the reconstructed image. We analyze the low order aberrations produced by our phase retrieval algorithms. We present two methods to improve the accuracy and stability of reconstructions.
Polarimetry by classical ghost diffraction
Kellock, Henri; Friberg, Ari T; Shirai, Tomohiro
2014-01-01
We present a technique for studying the polarimetric properties of a birefringent object by means of classical ghost diffraction. The standard ghost diffraction setup is modified to include polarizers for controlling the state of polarization of the beam in various places. The object is characterized by a Jones matrix and the absolute values of the Fourier transforms of its individual elements are measured. From these measurements the original complex-valued functions can be retrieved through iterative methods resulting in the full Jones matrix of the object. We present two different placements of the polarizers and show that one of them leads to better polarimetric quality, while the other placement offers the possibility to perform polarimetry without controlling the source's state of polarization. The concept of an effective source is introduced to simplify the calculations. Ghost polarimetry enables the assessment of polarization properties as a function of position within the object through simple intens...
Calculating cellulose diffraction patterns
Although powder diffraction of cellulose is a common experiment, the patterns are not widely understood. The theory is mathematical, there are numerous different crystal forms, and the conventions are not standardized. Experience with IR spectroscopy is not directly transferable. An awful error, tha...
Ball, Philip
2016-09-01
A new implementation of X-ray diffraction using free-electron lasers can take snapshots of biological molecules that are inaccessible via X-ray crystallography. As Philip Ball reports, the technique can even be used to create stop-motion films of dynamic molecular processes
DIFFRACTION FROM MODEL CRYSTALS
Although calculating X-ray diffraction patterns from atomic coordinates of a crystal structure is a widely available capability, calculation from non-periodic arrays of atoms has not been widely applied to cellulose. Non-periodic arrays result from modeling studies that, even though started with at...
Diffraction contrast imaging using virtual apertures
Gammer, Christoph, E-mail: cgammer@lbl.gov [National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory (United States); Department of Materials Science and Engineering, University of California, Berkeley (United States); Physics of Nanostructured Materials, Faculty of Physics, University of Vienna (Austria); Burak Ozdol, V. [National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory (United States); Liebscher, Christian H.; Minor, Andrew M. [National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory (United States); Department of Materials Science and Engineering, University of California, Berkeley (United States)
2015-08-15
Two methods on how to obtain the full diffraction information from a sample region and the associated reconstruction of images or diffraction patterns using virtual apertures are demonstrated. In a STEM-based approach, diffraction patterns are recorded for each beam position using a small probe convergence angle. Similarly, a tilt series of TEM dark-field images is acquired. The resulting datasets allow the reconstruction of either electron diffraction patterns, or bright-, dark- or annular dark-field images using virtual apertures. The experimental procedures of both methods are presented in the paper and are applied to a precipitation strengthened and creep deformed ferritic alloy with a complex microstructure. The reconstructed virtual images are compared with conventional TEM images. The major advantage is that arbitrarily shaped virtual apertures generated with image processing software can be designed without facing any physical limitations. In addition, any virtual detector that is specifically designed according to the underlying crystal structure can be created to optimize image contrast. - Highlights: • A dataset containing all structural information of a given position is recorded. • The dataset allows reconstruction of virtual diffraction patterns or images. • Specific virtual apertures are designed to image precipitates in a complex alloy. • Virtual diffraction patterns from arbitrarily small regions can be established. • Using STEM diffraction to record the dataset is more efficient than TEM dark-field.
Two-dimensional x-ray diffraction
He, Bob B
2009-01-01
Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea
Diffraction and diffusion in room acoustics
Rindel, Jens Holger; Rasmussen, Birgit
1996-01-01
Diffraction and diffusion are two phenomena that are both related to the wave nature of sound. Diffraction due to the finite size of reflecting surfaces and the design of single reflectors and reflector arrays are discussed. Diffusion is the result of scattering of sound reflected from surfaces...... that are not plane but curved or irregular. The importance of diffusion has been demonstrated in concert halls. Methods for the design of diffusing surfaces and the development of new types of diffusers are reviewed. Finally, the importance of diffraction and diffusion in room acoustic computer models is discussed....
Ira V. Rozhdestvenskaya
2017-05-01
Full Text Available Denisovite is a rare mineral occurring as aggregates of fibres typically 200–500 nm diameter. It was confirmed as a new mineral in 1984, but important facts about its chemical formula, lattice parameters, symmetry and structure have remained incompletely known since then. Recently obtained results from studies using microprobe analysis, X-ray powder diffraction (XRPD, electron crystallography, modelling and Rietveld refinement will be reported. The electron crystallography methods include transmission electron microscopy (TEM, selected-area electron diffraction (SAED, high-angle annular dark-field imaging (HAADF, high-resolution transmission electron microscopy (HRTEM, precession electron diffraction (PED and electron diffraction tomography (EDT. A structural model of denisovite was developed from HAADF images and later completed on the basis of quasi-kinematic EDT data by ab initio structure solution using direct methods and least-squares refinement. The model was confirmed by Rietveld refinement. The lattice parameters are a = 31.024 (1, b = 19.554 (1 and c = 7.1441 (5 Å, β = 95.99 (3°, V = 4310.1 (5 Å3 and space group P12/a1. The structure consists of three topologically distinct dreier silicate chains, viz. two xonotlite-like dreier double chains, [Si6O17]10−, and a tubular loop-branched dreier triple chain, [Si12O30]12−. The silicate chains occur between three walls of edge-sharing (Ca,Na octahedra. The chains of silicate tetrahedra and the octahedra walls extend parallel to the z axis and form a layer parallel to (100. Water molecules and K+ cations are located at the centre of the tubular silicate chain. The latter also occupy positions close to the centres of eight-membered rings in the silicate chains. The silicate chains are geometrically constrained by neighbouring octahedra walls and present an ambiguity with respect to their z position along these walls, with displacements between neighbouring layers being
A Comment on the Relation between Diffraction and Entropy
Michael Baake
2012-05-01
Full Text Available Diffraction methods are used to detect atomic order in solids. While uniquely ergodic systems with pure point diffraction have zero entropy, the relation between diffraction and entropy is not as straightforward in general. In particular, there exist families of homometric systems, which are systems sharing the same diffraction, with varying entropy. We summarise the present state of understanding by several characteristic examples.
Simulating interference and diffraction in instructional laboratories
Maurer, L.
2013-03-01
Studieshave shown that standard lectures and instructional laboratory experiments are not effective at teaching interference and diffraction. In response, the author created an interactive computer program that simulates interference and diffraction effects using the finite difference time domain method. The software allows students to easily control, visualize and quantitatively measure the effects. Students collected data from simulations as part of their laboratory exercise, and they performed well on a subsequent quiz, showing promise for this approach.
A Spectrometer Based on Diffractive Lens
WANG Daoyi; YAN Yingbai; JIN Guofan; WU Minxian
2001-01-01
A novel spectrometer is designed based on diffractive lens. It is essentially a flat field spectrometer. All the focal points are along the optical axis. Besides, all the asymmetrical aberrations vanish in our mounting. Thus low aberration can be obtained. In this article a diffractive lens is modeled as a special grating and analyzed by using a grating-based method. And a stigmatic point is introduced to reduce the aberrations.
Ungár, T.; Martinetto, P.; Ribárik, G.; Dooryhée, E.; Walter, Ph.; Anne, M.
2002-02-01
Galena (PbS) is a major ingredient in ancient Egyptian eye makeup. The microstructure of PbS in Egyptian cosmetic powders is used as a fingerprint and is matched with the microstructures produced artificially in geological galena minerals. The microstructure of PbS is determined by x-ray diffraction peak profile analysis in terms of dislocation density, crystallite size, and size distribution. High-resolution powder diffractograms were measured at the ESRF Grenoble synchrotron source with high resolution and high peak-to-background ratios. The Fourier coefficients of the first nine measured reflections of galena are fitted using physically based Fourier coefficients of strain and size functions. Strain anisotropy is accounted for by the dislocation model of the mean square strain. The x-ray data are supplemented by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) micrographs, and are compared with archæological documents. It enables us to describe the procedures of eye makeup manufacturing in the Middle and New Kingdoms of Egypt some 2000 years before Christ.
In-situ energy dispersive x-ray diffraction study of the growth of CuO nanowires by annealing method
Srivastava, Himanshu; Ganguli, Tapas; Deb, S. K. [Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced technology, Indore-452013 (India); Sant, Tushar; Poswal, H. K.; Sharma, Surinder M. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai (India)
2013-10-14
The in-situ growth of CuO nanowires was studied by Energy Dispersive X-ray Diffraction (EDXRD) to observe the mechanism of growth. The study was carried out for comparison at two temperatures—at 500 °C, the optimum temperature of the nanowires growth, and at 300 °C just below the temperature range of the growth. The in situ observation revealed the successive oxidation of Cu foil to Cu{sub 2}O layer and finally to CuO layer. Further analysis showed the presence of a compressive stress in CuO layer due to interface at CuO and Cu{sub 2}O layers. The compressive stress was found to increase with the growth of the nanowires at 500 °C while it relaxed with the growth of CuO layer at 300 °C. The present results do not support the existing model of stress relaxation induced growth of nanowires. Based on the detailed Transmission Electron Microscope, Scanning Electron Microscope, and EDXRD results, a microstructure based growth model has been suggested.
SINGLE CRYSTAL NEUTRON DIFFRACTION.
KOETZLE,T.F.
2001-03-13
Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.
朱咸昌; 曹学东; 吴时彬; 张鹏
2011-01-01
介绍了一种利用光栅的多缝衍射分光代替传统转角法的角度测量的微透镜焦距测量方法.平行光入射通过光栅后,由于光栅的衍射效应,在光栅后面将形成各级衍射光.通过测量光栅多缝衍射的±1级光斑和0级光斑的中心距,且由于光栅多缝衍射原理士1级和0级衍射光间的转角由光栅周期和测量光源的波长决定,可通过转角法测量焦距原理完成对微透镜焦距的测量.由于转角由系统参数决定,同时利用图像清晰度函数对光斑进行定焦,分析实验结果表明该方法用于微透镜焦距测量具有较高的测量精度.由于该方法具有较高的测量效率和测量精度,同时可用于阵列数较多的复眼透镜的焦距测量.%A new method of microlens focal length measurement by rotation method based on grating diffraction is introduced. When parallel rays travel through the grating, various angle-order diffracted rays will appear behind the grating because of grating diffraction. According to the grating equation, the angle between the ± 1 st-order and the O-order diffracted rays is determined by grating period and testing wavelength. Taking a camera nearby the focus of microlens to get the picture one by one, from clarity function of the picture, the focus position will be decided. In addition, the distance of the +1 st-order and the O-order spot center can be tested from the picture. With the angle and spot central distance between the ± 1 st-order and the O-order, the focal length can be measured. The measurement result shows that this method has a good precision for focal length measurement of microlens. And because of its high efficiency, this method can also be used for focal length of microlens array measurement.
Polychromatic diffraction contrast tomography
King, A., E-mail: king@synchrotron-soleil.fr [Synchrotron SOLEIL, Gif-sur-Yvette 91192 (France); Reischig, P. [Xnovo Technology ApS, 4600 Køge (Denmark); Department of Materials Science and Engineering, Delft University of Technology, Delft 2628 CD (Netherlands); Adrien, J. [MATEIS, INSA de Lyon, Villeurbanne 69621 (France); Peetermans, S. [Paul Scherrer Institut, CH-5232 Villigen (Switzerland); Ludwig, W. [MATEIS, INSA de Lyon, Villeurbanne 69621 (France); European Synchrotron Radiation Facility, Grenoble 38043 (France)
2014-11-15
This tutorial review introduces the use of polychromatic radiation for 3D grain mapping using X-ray diffraction contrast tomography. The objective is to produce a 3D map of the grain shapes and orientations within a bulk, millimeter-sized polycrystalline sample. The use of polychromatic radiation enables the standard synchrotron X-ray technique to be applied in a wider range of contexts: 1) Using laboratory X-ray sources allows a much wider application of the diffraction contrast tomography technique. 2) Neutron sources allow large samples, or samples containing high Z elements to be studied. 3) Applied to synchrotron sources, smaller samples may be treated, or faster measurements may be possible. Challenges and particularities in the data acquisition and processing, and the limitations of the different variants, are discussed. - Highlights: • We present a tutorial review of polychromatic diffraction contrast tomography techniques. • The use of polychromatic radiation allows the standard synchrotron DCT technique to be extended to a range of other sources. • The characteristics and limitations of all variants of the techniques are derived, discussed and compared. • Examples using laboratory X-ray and cold neutron radiation are presented. • Suggestions for the future development of these techniques are presented.
Khoze, V.A.; Ryskin, M.G. [University of Durham, Institute for Particle Physics Phenomenology, Durham (United Kingdom); NRC Kurchatov Institute, Gatchina, Petersburg Nuclear Physics Institute, St. Petersburg (Russian Federation); Martin, A.D. [University of Durham, Institute for Particle Physics Phenomenology, Durham (United Kingdom)
2013-07-15
We show that the diffractive pp (and p anti p) data (on {sigma}{sub tot}, d{sigma}{sub el}/dt, proton dissociation into low-mass systems, {sigma}{sup D}{sub low} {sub M}, and high-mass dissociation, d{sigma}/d({Delta}{eta})) in a wide energy range from CERN-ISR to LHC energies, may be described in a two-channel eikonal model with only one 'effective' pomeron. By allowing the pomeron coupling to the diffractive eigenstates to depend on the collider energy (as is expected theoretically) we are able to explain the low value of {sigma}{sup D}{sub low} {sub M} measured at the LHC. We calculate the survival probability, S{sup 2}, of a rapidity gap to survive 'soft rescattering'. We emphasise that the values found for S{sup 2} are particularly sensitive to the detailed structure of the diffractive eigenstates. (orig.)
High pressure x-ray diffraction techniques with synchrotron radiation
刘景
2016-01-01
This article summarizes the developments of experimental techniques for high pressure x-ray diffraction (XRD) in diamond anvil cells (DACs) using synchrotron radiation. Basic principles and experimental methods for various diffraction geometry are described, including powder diffraction, single crystal diffraction, radial diffraction, as well as coupling with laser heating system. Resolution in d-spacing of different diffraction modes is discussed. More recent progress, such as extended application of single crystal diffraction for measurements of multigrain and electron density distribution, time-resolved diffraction with dynamic DAC and development of modulated heating techniques are briefl y introduced. The current status of the high pressure beamline at BSRF (Beijing Synchrotron Radiation Facility) and some results are also presented.
Mu, X; Kobler, A; Wang, D; Chakravadhanula, V S K; Schlabach, S; Szabó, D V; Norby, P; Kübel, C
2016-11-01
Transmission electron microscopy (TEM) has been used intensively in investigating battery materials, e.g. to obtain phase maps of partially (dis)charged (lithium) iron phosphate (LFP/FP), which is one of the most promising cathode material for next generation lithium ion (Li-ion) batteries. Due to the weak interaction between Li atoms and fast electrons, mapping of the Li distribution is not straightforward. In this work, we revisited the issue of TEM measurements of Li distribution maps for LFP/FP. Different TEM techniques, including spectroscopic techniques (energy filtered (EF)TEM in the energy range from low-loss to core-loss) and a STEM diffraction technique (automated crystal orientation mapping (ACOM)), were applied to map the lithiation of the same location in the same sample. This enabled a direct comparison of the results. The maps obtained by all methods showed excellent agreement with each other. Because of the strong difference in the imaging mechanisms, it proves the reliability of both the spectroscopic and STEM diffraction phase mapping. A comprehensive comparison of all methods is given in terms of information content, dose level, acquisition time and signal quality. The latter three are crucial for the design of in-situ experiments with beam sensitive Li-ion battery materials. Furthermore, we demonstrated the power of STEM diffraction (ACOM-STEM) providing additional crystallographic information, which can be analyzed to gain a deeper understanding of the LFP/FP interface properties such as statistical information on phase boundary orientation and misorientation between domains.
无
2000-01-01
The values of mosaic block size and microstrain measured by the method of Voigt function are sometimes largely erroneous and difficult to be revised. In this paper, the causes of the “hook effect” which inevitably exists in the method of Fourier analysis are explained; then the method for resolving this effect is put forward; and finally the method of hypothetical function is used to simplify the method of the Fourier analysis from multi-peak to single-peak. By introducing the parameter m, this method can not only indicate the degree of errors, but also revise them as well. It is simple, clear and able to accomplish the intricate pattern calculation quickly by the aid of computer. In the end, we argue the identity between method of the approximate function and the Fourier analysis, and give a more accurate proportional coefficient k.
Atomic resolution 3D electron diffraction microscopy
Miao, Jianwei; Ohsuna, Tetsu; Terasaki, Osamu; O' Keefe, Michael A.
2002-03-01
Electron lens aberration is the major barrier limiting the resolution of electron microscopy. Here we describe a novel form of electron microscopy to overcome electron lens aberration. By combining coherent electron diffraction with the oversampling phasing method, we show that the 3D structure of a 2 x 2 x 2 unit cell nano-crystal (framework of LTA [Al12Si12O48]8) can be ab initio determined at the resolution of 1 Angstrom from a series of simulated noisy diffraction pattern projections with rotation angles ranging from -70 degrees to +70 degrees in 5 degrees increments along a single rotation axis. This form of microscopy (which we call 3D electron diffraction microscopy) does not require any reference waves, and can image the 3D structure of nanocrystals, as well as non-crystalline biological and materials science samples, with the resolution limited only by the quality of sample diffraction.
Diffractive Dijet Photoproduction
Klasen, M
2005-01-01
We have calculated diffractive dijet production in deep-inelastic scattering (DIS) at low-Q^2 and next-to-leading order (NLO) of perturbative QCD, including contributions from direct and resolved photons. We study how the cross section depends on the factorization scheme and scale M_\\gamma at the virtual photon vertex for the occurance of factorization breaking. The strong M_\\gamma-dependence, which is present when only the resolved cross section is suppressed, is tamed by intodrucing the suppression also in the initial-state NLO correction of the direct part.
Surface diffusion studies by optical diffraction techniques
Xiao, X.D.
1992-11-01
The newly developed optical techniques have been combined with either second harmonic (SH) diffraction or linear diffraction off a monolayer adsorbate grating for surface diffusion measurement. Anisotropy of surface diffusion of CO on Ni(l10) was used as a demonstration for the second harmonic dim reaction method. The linear diffraction method, which possesses a much higher sensitivity than the SH diffraction method, was employed to study the effect of adsorbate-adsorbate interaction on CO diffusion on Ni(l10) surface. Results showed that only the short range direct CO-CO orbital overlapping interaction influences CO diffusion but not the long range dipole-dipole and CO-NI-CO interactions. Effects of impurities and defects on surface diffusion were further explored by using linear diffraction method on CO/Ni(110) system. It was found that a few percent S impurity can alter the CO diffusion barrier height to a much higher value through changing the Ni(110) surface. The point defects of Ni(l10) surface seem to speed up CO diffusion significantly. A mechanism with long jumps over multiple lattice distance initiated by CO filled vacancy is proposed to explain the observed defect effect.
Inclusive Hard Diffraction at HERA
Proskuryakov, Alexander
2010-01-01
Recent data from the H1 and ZEUS experiments on hard inclusive diffraction are discussed. Results of QCD analyses of the diffractive deep-inelastic scattering processes are reported. Predictions based on the extracted parton densities are compared to diffractive dijet measurements.
Field Guide to Diffractive Optics
Soskind, Yakov
2011-01-01
This SPIE Field Guide provides the operational principles and established terminology of diffractive optics as well as a comprehensive overview of the main types of diffractive optics components. An emphasis is placed on the qualitative explanation of the diffraction phenomenon by the use of field distributions and graphs, providing the basis for understanding the fundamental relations and important trends.
A Study of Simple Diffraction Models
Agerkvist, Finn
1997-01-01
Three different models for calculating edge diffraction are examined. The methods of Vanderkooy, Terai and Biot & Tolstoy are compared with measurements. Although a good agreement is obtained, the measurements also show that none of the methods work completely satisfactorily. The desired properties...
Pan, Meiyan, E-mail: yphantomohive@gmail.com; Zeng, Yingzhi; Huang, Zuohua, E-mail: zuohuah@163.com [Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou, Guangdong 510006 (China)
2014-09-15
A new method based on diffraction spectral analysis is proposed for the quantitative measurement of the phase variation amplitude of an ultrasonic diffraction grating. For a traveling wave, the phase variation amplitude of the grating depends on the intensity of the zeroth- and first-order diffraction waves. By contrast, for a standing wave, this amplitude depends on the intensity of the zeroth-, first-, and second-order diffraction waves. The proposed method is verified experimentally. The measured phase variation amplitude ranges from 0 to 2π, with a relative error of approximately 5%. A nearly linear relation exists between the phase variation amplitude and driving voltage. Our proposed method can also be applied to ordinary sinusoidal phase grating.
Diffraction tomography with Fourier ptychography
Horstmeyer, Roarke
2015-01-01
This article presents a method to perform diffraction tomography in a standard microscope that includes an LED array for illumination. After acquiring a sequence of intensity-only images of a thick sample, a ptychography-based reconstruction algorithm solves for its unknown complex index of refraction across three dimensions. The experimental microscope demonstrates a spatial resolution of 0.39 $\\mu$m and an axial resolution of 3.7 $\\mu$m at the Nyquist-Shannon sampling limit (0.54 $\\mu$m and 5.0 $\\mu$m at the Sparrow limit, respectively), across a total imaging volume of 2.2 mm $\\times$ 2.2 mm $\\times$ 110 $\\mu$m. Unlike competing methods, the 3D tomograms presented in this article are continuous, quantitative, and formed without the need for interferometry or any moving parts. Wide field-of-view reconstructions of thick biological specimens demonstrate potential applications in pathology and developmental biology.
Żabiński, Jerzy; Maciejewska, Dorota; Wolska, Irena
2010-12-01
The paper presents the solid-state analysis of the crystalline form of 1,5- bis[(4-cyanophenyl)- N-methylamino]pentane ( 1) and polycrystalline powder sample of 1,5- bis[(4-amidinophenyl)- N-methylamino]pentane dihydrochloride ( 2). The methods used are X-ray diffraction technique and 13C, 15N CP/MAS NMR spectroscopy in an attempt to detect the effects of possible polymorphism. Both methods indicate that only single conformers exist in the solid-state for 1 and 2. 1,5- Bis[(4-cyanophenyl)- N-methylamino]pentane 1, crystallizes in the orthorhombic space group P2 12 12. The asymmetric unit contains one half of the ordered molecule. Only weak intermolecular interactions were found in solid-state, in which methyl groups are engaged.
Rasmussen, Christine O
2015-01-01
We present an overview of the options for diffraction implemented in the general--purpose event generator Pythia 8. We review the existing model for low-- and high--mass soft diffraction and present a new model for hard diffraction in pp and ppbar collisions. Both models uses the Pomeron approach pioneered by Ingelman and Schlein, factorising the single diffractive cross section into a Pomeron flux and a Pomeron PDF. The model for hard diffraction is implemented as a part of the multiparton interactions framework, thereby introducing a dynamical rapidity gap survival probability that explicitly breaks factorisation.
Rasmussen, Christine O
2015-01-01
We present an overview of the options for diffraction implemented in the general-purpose event generator Pythia 8. We review the existing model for soft diffraction and present a new model for hard diffraction. Both models use the Pomeron approach pioneered by Ingelman and Schlein, factorising the diffractive cross section into a Pomeron flux and a Pomeron PDF, with several choices for both implemented in Pythia 8. The model of hard diffraction is implemented as a part of the multiparton interactions (MPI) framework, thus introducing a dynamical gap survival probability that explicitly breaks factorisation.
Overgaard Rasmussen, Christine
2016-07-01
We present an overview of the options for diffraction implemented in the general-purpose event generator Pythia 8 [1]. We review the existing model for soft diffraction and present a new model for hard diffraction. Both models use the Pomeron approach pioneered by Ingelman and Schlein, factorising the diffractive cross section into a Pomeron flux and a Pomeron PDF, with several choices for both implemented in Pythia 8. The model of hard diffraction is implemented as a part of the multiparton interactions (MPI) framework, thus introducing a dynamical gap survival probability that explicitly breaks factorisation.
Diffractive molecular-orbital tomography
Zhai, Chunyang; Zhu, Xiaosong; Lan, Pengfei; Wang, Feng; He, Lixin; Shi, Wenjing; Li, Yang; Li, Min; Zhang, Qingbin; Lu, Peixiang
2017-03-01
High-order-harmonic generation in the interaction of femtosecond lasers with atoms and molecules opens the path to molecular-orbital tomography and to probe the electronic dynamics with attosecond-Ångström resolutions. Molecular-orbital tomography requires both the amplitude and phase of the high-order harmonics. Yet the measurement of phases requires sophisticated techniques and represents formidable challenges at present. Here we report a scheme, called diffractive molecular-orbital tomography, to retrieve the molecular orbital solely from the amplitude of high-order harmonics without measuring any phase information. We have applied this method to image the molecular orbitals of N2, CO2, and C2H2 . The retrieved orbital is further improved by taking account the correction of Coulomb potential. The diffractive molecular-orbital tomography scheme, removing the roadblock of phase measurement, significantly simplifies the molecular-orbital tomography procedure and paves an efficient and robust way to the imaging of more complex molecules.
X射线衍射法鉴定铁矿石中氧化皮%Identification of mill scale doped in iron ore by X-ray diffraction method
丁仕兵; 张庆建; 郭兵; 杜恒清; 李晨; 冯丽丽; 孙博
2013-01-01
考察了不同粒度下氧化皮的X射线衍射图谱,结果表明,270～400目粒度下氧化皮衍射峰强度最强.利用分析评估程序处理了氧化皮的X射线衍射图谱,并和PDF-2数据库(国际衍射数据中心)中数据进行比对,以找出其特征物相.结果表明,氧化皮的特征物相为三氧化二铁、四氧化三铁、氧化亚铁共存,而其它杂质物相含量极低.经过与天然铁矿石的特征物相进行比对,发现其中氧化亚铁物相是氧化皮区别于铁矿石的主要特征,因此氧化亚铁物相的存在可以作为鉴定铁矿石中是否掺杂氧化皮的重要指标,由此建立了铁矿石中氧化皮的X射线衍射鉴定方法,方法能够对含量高于10％的氧化皮进行鉴定.%The X-ray diffraction spectrum of mill scale with different sizes was investigated.The results showed that,the diffraction peak intensity was the strongest for the mill scale with particle size of 270-400 mesh.The X-ray diffraction spectrum of mill scale was treated by analysis and evaluation program,and the results were compared with data in PDF-2 database (International Centre for Diffraction Data) to find out the characteristic phases.It was found that the characteristic phases of mill scale were coexisting ferric oxide,magnetic iron oxide and ferrous oxide while the content of other impurity phases was very low.Based on the comparison with characteristic phases of natural iron ore,it was found that,the ferrous oxide phase was the main characteristic to differentiate mill scale from iron ore.Therefore,the presence of ferrous oxide phase could be considered as an important index to identify whether mill scale was doped in iron ore.Based on this,an identification method of mill scale in iron ore was established by X-ray diffraction method.This method could be applied to the identification of mill scale with content higher than 10％.
Söderberg, Karin; Kubota, Yoshiki; Muroyama, Norihiro; Grüner, Daniel; Yoshimura, Arisa; Terasaki, Osamu
2008-08-01
Using short wavelength X-rays from synchrotron radiation (SPring-8), high-resolution powder diffraction patterns were collected. In order to study both the structural relationship and the mechanism of stability in the CaAl 2-xZn x system, among the Laves phases (MgCu 2 and MgNi 2 type) and KHg 2-type structures, the charge density distribution of CaAl 2-xZn x as a function of x was obtained from the diffraction data by Rietveld analysis combined with the maximum entropy method (MEM). In the MEM charge density maps overlapping electron densities were clearly observed, especially in the Kagomé nets of the Laves phases. In order to clarify the charge redistribution in the system, the deformation charge densities from the densities formed by the constituent free atoms are discussed. In the ternary MgNi 2-type phase, partial ordering of Al and Zn atoms is observed, a finding that is supported by ab-initio total energy calculations.
Okido, Shinobu; Hayashi, Makoto [Hitachi Ltd., Tokyo (Japan); Morii, Yukio; Minakawa, Nobuaki; Tsuchiya, Yoshinori
1997-06-01
In a residual stress measurement by x-ray diffraction method and a neutron diffraction method, strictly speaking, the strain measurement of various diffracted surface was conducted and it is necessary to use its elastic modulus to convert from the strain to the stress. Then, in order to establish the residual stress measuring technique using neutron diffraction, it is an aim at first to make clear a diffraction surface dependency of elastic modulus for the stress conversion in various alloys. As a result of investigations the diffraction surface dependency of elastic module on SUS304 and STS410 steels by using RESA (Neutron diffractometer for residual stress analysis) installed at JRR-3M in Tokai Establishment of JAERI, following results are obtained. The elastic modulus of each diffraction surface considering till plastic region could be confirmed to be in a region of {+-}20% of that calculated by Kroner`s model and to be useful for that used on conversion to the stress. And, error of this elastic modulus was thought to cause the transition and defect formed at inner portion of the materials due to a plastic deformation. (G.K.)
[The coding correction of slit diffraction in Hadamard transform spectrometer].
Li, Bo; Wang, Shu-Rong; Huang, Yu; Wang, Jun-Bo
2013-08-01
According to the principles of Hadamard transform spectrometer and the slit diffraction characteristics, the influence of spectrometer entrance slit diffraction of Hadamard transform spectrometer on the measurement result was analyzed, for the diffraction case, the Hadamard transform spectrometer instrument structure matrix was studied, and the Hadamard transform spectrometer encoding/decoding method was established. The analysis of incident spectral verified the correctness of the coding/ decoding. This method is very important for the high precision measurement of Hadamard transform spectrometer.
Birefringent coherent diffraction imaging
Karpov, Dmitry; dos Santos Rolo, Tomy; Rich, Hannah; Kryuchkov, Yuriy; Kiefer, Boris; Fohtung, E.
2016-10-01
Directional dependence of the index of refraction contains a wealth of information about anisotropic optical properties in semiconducting and insulating materials. Here we present a novel high-resolution lens-less technique that uses birefringence as a contrast mechanism to map the index of refraction and dielectric permittivity in optically anisotropic materials. We applied this approach successfully to a liquid crystal polymer film using polarized light from helium neon laser. This approach is scalable to imaging with diffraction-limited resolution, a prospect rapidly becoming a reality in view of emergent brilliant X-ray sources. Applications of this novel imaging technique are in disruptive technologies, including novel electronic devices, in which both charge and spin carry information as in multiferroic materials and photonic materials such as light modulators and optical storage.
Qin, Yi; Gong, Qiong; Wang, Zhipeng
2014-09-08
In previous diffractive-imaging-based optical encryption schemes, it is impossible to totally retrieve the plaintext from a single diffraction pattern. In this paper, we proposed a new method to achieve this goal. The encryption procedure can be completed by proceeding only one exposure, and the single diffraction pattern is recorded as ciphertext. For recovering the plaintext, a novel median-filtering-based phase retrieval algorithm, including two iterative cycles, has been developed. This proposal not only extremely simplifies the encryption and decryption processes, but also facilitates the storage and transmission of the ciphertext, and its effectiveness and feasibility have been demonstrated by numerical simulations.
于娜娜
2012-01-01
基于傅里叶计算全息技术,结合菲涅尔双随机相位加密系统,提出了一种数字图像加密方法。该方法以傅里叶计算全息图记录菲涅尔衍射双随机相位加密图像,傅里叶计算全息加密图像隐藏了原图像大小尺度信息,而且再现多个图像,必须针对加密图像共轭方可解密,提高了图像加密的安全性,并且解决了普通方法加密图像难存储的问题,作为原始明文的拥有者,两个随机相位板,应用波长,两次菲涅尔衍射的距离都可作为解密密钥。%A new method of digital image encryption using Fourier CGH,combined the Fresnel dual randomized phase encryption system is proposed.In this method the encryption images of Fresnel diffraction two random phases system is recorded by Fourier CGH,The Fourier CGH is an image without size scale information of the original image and many images representation,but the decryption must according to the conjugate of original encryption,so this method greatly enhances the image encryption security.As the owner of the original image,three phase plate,application wavelength,twice the distance of the Fresnel diffraction can serve as decryption keys.
Qin, Yi; Wang, Zhipeng; Gong, Qiong
2014-07-01
In this paper, we propose a novel method for image encryption by employing the diffraction imaging technique. This method is in principle suitable for most diffractive-imaging-based optical encryption schemes, and a typical diffractive imaging architecture using three random phase masks in the Fresnel domain is taken for an example to illustrate it. The encryption process is rather simple because only a single diffraction intensity pattern is needed to be recorded, and the decryption procedure is also correspondingly simplified. To achieve this goal, redundant data are digitally appended to the primary image before a standard encrypting procedure. The redundant data serve as a partial input plane support constraint in a phase retrieval algorithm, which is employed for completely retrieving the plaintext. Simulation results are presented to verify the validity of the proposed approach.
A Study of Simple Diffraction Models
Agerkvist, Finn
In this paper two simple methods for cabinet edge diffraction are examined. Calculations with both models are compared with more sophisticated theoretical models and with measured data. The parameters involved are studied and their importance for normal loudspeaker box designs is examined....
Diffraction and diffusion in room acoustics
Rindel, Jens Holger; Rasmussen, Birgit
1996-01-01
that are not plane but curved or irregular. The importance of diffusion has been demonstrated in concert halls. Methods for the design of diffusing surfaces and the development of new types of diffusers are reviewed. Finally, the importance of diffraction and diffusion in room acoustic computer models is discussed....
Study of optical Laue diffraction
Chakravarthy, Giridhar, E-mail: cgiridhar84@gmail.com, E-mail: aloksharan@email.com; Allam, Srinivasa Rao, E-mail: cgiridhar84@gmail.com, E-mail: aloksharan@email.com; Satyanarayana, S. V. M., E-mail: cgiridhar84@gmail.com, E-mail: aloksharan@email.com; Sharan, Alok, E-mail: cgiridhar84@gmail.com, E-mail: aloksharan@email.com [Department of Physics, Pondicherry University, Puducherry-605014 (India)
2014-10-15
We present the study of the optical diffraction pattern of one and two-dimensional gratings with defects, designed using desktop pc and printed on OHP sheet using laser printer. Gratings so prepared, using novel low cost technique provides good visual aid in teaching. Diffraction pattern of the monochromatic light (632.8nm) from the grating so designed is similar to that of x-ray diffraction pattern of crystal lattice with point defects in one and two-dimensions. Here both optical and x-ray diffractions are Fraunhofer. The information about the crystalline lattice structure and the defect size can be known.
Film thickness determination by grazing incidence diffraction
Battiston, G. A.; Gerbasi, R. [CNR, Padua (Italy). Istituto di Chimica e Tecnologie Inorganiche e dei Materiali Avanzati
1996-09-01
Thin films deposited via MOCVD (Metal Organic Chemical Vapour Deposition) are layers in the thickness range of a few manometers to about ten micrometers. An understanding of the physics and chemistry of films is necessary for a better comprehension of the phenomena involved in the film deposition procedure and its optimisation. Together with the crystalline phase a parameter that must be determined is the thickness of the layer. In this work the authors present a method for the measurement of the film thickness. This procedure, based on diffraction intensity absorption of the X-rays, both incident and diffracted in passing through the layers, resulted quite simple, rapid and non-destructive.
Rasouli, Saifollah; Hebri, Davud; Khazaei, Ali Mohammad
2017-09-01
In this paper, first a detailed investigation of the various behaviors of the near- and far-field diffractions from multiplicatively separable (MS) structures in the x and y directions is presented. It is shown that in near-field propagation, the diffraction pattern of a 2D MS structure is same as the product of the corresponding near-field diffractions of the 1D individual components of the structure. For the far-field diffraction, although the resulting diffraction pattern is not equal to the product of the individual 1D structures’ diffraction patterns, we show that it is still a 2D MS pattern. Second, a detailed theoretical investigation of the contrast enhancement effect for the multiplication of two 1D orthogonal intensity patterns (not necessarily periodic) is presented. By merging the above-mentioned facts, we deduced that in near-field diffraction, the contrast of the diffraction pattern of a 2D MS structure is always larger than the contrast of each of the diffraction patterns of the corresponding individual 1D structures. In the second part of this paper, we implement the intensity contrast as a quantity to describe self-images of the 2D MS periodic structures. For the first time, two very important results are obtained based on the contrast enhancement effect. We show that the depth of focus of the self-images increases for the 2D periodic structures in comparing to their corresponding 1D structures. We also predict the existence of additional self-images in addition to the Talbot images located at the least common multiple of each of the individual 1D Talbot distances for the 2D MS periodic structures. In addition, in this work we present a very straightforward manner for the prediction of the 1D or 2D forms of the diffraction pattern and the direction of the 1D pattern strips at given propagation distances from the 2D structure by introducing another intensity-contrast-based parameter. Furthermore, we show that the diffraction pattern of a 2D MS
Diffractive elements performance in chromatic confocal microscopy
Garzon, J; Duque, D; Alean, A; Toledo, M [Grupo de Optica y EspectroscopIa, Centro de Ciencia Basica, Universidad Pontificia Bolivariana. Medellin (Colombia); Meneses, J [Laboratorio de Optica y Tratamiento de Senales, Instituto de Fisica, Universidad Industrial de Santander, Bucaramanga (Colombia); Gharbi, T, E-mail: jgarzonr10@une.net.co [Laboratoire d' Optique P. M. Duffieux, UMR-6603 CNR/Universite de Franche-Comte. 16 route de Gray, 25030 Besancon Cedex (France)
2011-01-01
The Confocal Laser Scanning Microscopy (CLSM) has been widely used in the semiconductor industry and biomedicine because of its depth discrimination capability. Subsequent to this technique has been developed in recent years Chromatic Confocal Microscopy. This method retains the same principle of confocal and offers the added advantage of removing the axial movement of the moving system. This advantage is usually accomplished with an optical element that generates a longitudinal chromatic aberration and a coding system that relates the axial position of each point of the sample with the wavelength that is focused on each. The present paper shows the performance of compact chromatic confocal microscope when some different diffractive elements are used for generation of longitudinal chromatic aberration. Diffractive elements, according to the process and manufacturing parameters, may have different diffraction efficiency and focus a specific wavelength in a specific focal position. The performance assessment is carried out with various light sources which exhibit an incoherent behaviour and a broad spectral width.
Higher order diffractions from a circular disk
Marsland, Diane P.; Balanis, Constantine A.; Brumley, Stephen A.
1987-12-01
The backscattering from a circular disk is analyzed using the geometrical theory of diffraction. First-, second-, and third-order diffractions are included in the hard polarization analysis, while first-, second-, and third-order slope diffractions are included for soft polarization. Improvements in the prediction of the monostatic radar cross section over previous works are noted. For hard polarization, an excellent agreement is exhibited between experimental and theoretical results, while a very good agreement is noted for soft polarization. To further improve the soft polarization results for wide angles, a model for the creeping wave or circulating current on the edge of the disk is obtained and used to find an additional component of the backscattered field. The addition of this component significantly improves the results for wide angles, leading to excellent agreement for soft polarization also. An axial-caustic correction method using equivalent currents is also included in the analysis.
Electron backscatter diffraction in materials characterization
Dejan Stojakovic
2012-03-01
Full Text Available Electron Back-Scatter Diffraction (EBSD is a powerful technique that captures electron diffraction patterns from crystals, constituents of material. Captured patterns can then be used to determine grain morphology, crystallographic orientation and chemistry of present phases, which provide complete characterization of microstructure and strong correlation to both properties and performance of materials. Key milestones related to technological developments of EBSD technique have been outlined along with possible applications using modern EBSD system. Principles of crystal diffraction with description of crystallographic orientation, orientation determination and phase identification have been described. Image quality, resolution and speed, and system calibration have also been discussed. Sample preparation methods were reviewed and EBSD application in conjunction with other characterization techniques on a variety of materials has been presented for several case studies. In summary, an outlook for EBSD technique was provided.
Diffractive optics and nanophotonics resolution below the diffraction limit
Minin, Igor
2016-01-01
In this book the authors present several examples of techniques used to overcome the Abby diffraction limit using flat and 3D diffractive optical elements, photonic crystal lenses, photonic jets, and surface plasmon diffractive optics. The structures discussed can be used in the microwave and THz range and also as scaled models for optical frequencies. Such nano-optical microlenses can be integrated, for example, into existing semiconductor heterostructure platforms for next-generation optoelectronic applications. Chapter 1 considers flat diffractive lenses and innovative 3D radiating structures including a conical millimeter-wave Fresnel zone plate (FZP) lens proposed for subwavelength focusing. In chapter 2 the subwavelength focusing properties of diffractive photonic crystal lenses are considered and it is shown that at least three different types of photonic crystal lens are possible. With the aim of achieving subwavelength focusing, in chapter 3 an alternative mechanism to produce photonic jets at Tera...
Phase knife-edge laser Schlieren diffraction interferometry with boundary diffraction wave theory
Raj Kumar; D Mohan; Sushil K Kaura; D P Chhachhia; A K Aggarwal
2007-04-01
Within the framework of boundary diffraction wave theory it has been shown that the first bright fringe on either side of the central dark fringe of the phase knife-edge Fresnel diffraction pattern could be broadened to cover the whole field of view. Broadening of the first diffraction fringe, instead of conventionally modifying the spatial frequency spectrum, enhances the sensitivity of the Schlieren system. The use of phase knife-edge as viewing diaphragm in Schlieren diffraction interferometry not only enhances the fringe contrast but also avoids the loss in phase information as it lets through light from all parts of the test object and its thin interfacing makes the method suitable even for studying weak disturbances.
Status of the Neutron Imaging and Diffraction Instrument IMAT
Kockelmann, Winfried; Burca, Genoveva; Kelleher, Joe F.; Kabra, Saurabh; Zhang, Shu-Yan; Rhodes, Nigel J.; Schooneveld, Erik M.; Sykora, Jeff; Pooley, Daniel E.; Nightingale, Jim B.; Aliotta, Francesco; Ponterio, Rosa C.; Salvato, Gabriele; Tresoldi, Dario; Vasi, Cirino; McPhate, Jason B.; Tremsin, Anton S.
A cold neutron imaging and diffraction instrument, IMAT, is currently being constructed at the ISIS second target station. IMAT will capitalize on time-of-flight transmission and diffraction techniques available at a pulsed neutron source. Analytical techniques will include neutron radiography, neutron tomography, energy-selective neutron imaging, and spatially resolved diffraction scans for residual strain and texture determination. Commissioning of the instrument will start in 2015, with time-resolving imaging detectors and two diffraction detector prototype modules. IMAT will be operated as a user facility for material science applications and will be open for developments of time-of-flight imaging methods.
Optical laue diffraction on photonic structures designed by laser lithography
Samusev, K. B.; Rybin, M. V.; Lukashenko, S. Yu.; Limonov, M. F.
2016-06-01
Two-dimensional photonic crystals with square symmetry C 4v were obtained using the laser lithography method. The structure of these samples was studied by scanning electron microscopy. Optical Laue diffraction for monochromatic light was studied experimentally depending on the incidence angle of laser beam and lattice constant. Interpretation of the observed diffraction patterns is given in the framework of the Laue diffraction mechanism for an one-dimensional chain of scattering elements. Red thresholds for different diffraction orders were determined experimentally and theoretically. The results of calculations are in an excellent agreement with experiment.
X-ray diffraction imaging of material microstructures
Varga, Laszlo
2016-10-20
Various examples are provided for x-ray imaging of the microstructure of materials. In one example, a system for non-destructive material testing includes an x-ray source configured to generate a beam spot on a test item; a grid detector configured to receive x- rays diffracted from the test object; and a computing device configured to determine a microstructure image based at least in part upon a diffraction pattern of the x-rays diffracted from the test object. In another example, a method for determining a microstructure of a material includes illuminating a beam spot on the material with a beam of incident x-rays; detecting, with a grid detector, x-rays diffracted from the material; and determining, by a computing device, a microstructure image based at least in part upon a diffraction pattern of the x-rays diffracted from the material.
Advances in powder diffraction analysis
Louer, D. [Lab. de Chimie du Solide et Inorganique Moleculaire, Rennes (France). Groupe de Cristallochimie
1998-11-01
Powder diffraction offers a wide spectrum of applications to solid-state scientists. The method traditionally used for phase analysis and the study of structural imperfections has benefited, in the last twenty years, from great advances in the instrumentation and computer-based approaches for pattern indexing and modelling. The factors at the origin of the metamorphosis of the method are presented. The major modern applications reported include quantitative analysis and the extraction of three-dimensional structural and microstructural properties. The use of pattern-fitting techniques for the characterization of the microstructure is discussed through applications to nanocrystalline materials. Remarkable results achieved in the solution of crystal structures are presented, as well as the impact in solid-state chemistry of powder crystallography, particularly for elucidating the crystal chemistry of families of compounds for which only powders are available. New strategies for solving the phase problem have been introduced and new classes of solids are being studied, such as drugs, coordination and organic compounds. (orig.) 100 refs.
Non-Diffracting Waves: A new introduction
Recami, E; Hernandez-Figuera, H E; Ambrosio, L A
2014-01-01
This work deals with exact solutions to the wave equations. We start by introducing the Non-Diffracting Waves (NDW), and by a definition of NDWs. Afterwards we recall -besides ordinary waves (gaussian beams, gaussian pulses)- the simplest non diffracting waves (Bessel beams, X-shaped pulses,...). In Sec.2 we show how to eliminate any backward-traveling components, first in the case of ideal NDW pulses, and then, in Sec.3, for realistic finite-energy NDW pulses. In particular, in subsec.3.1 we forward a general functional expression for any totally-forward non-diffracting pulses. Then, in Sec.4 an efficient method is set forth for the analytic description of truncated beams, a byproduct of its being the elimination of any need of lengthy numerical calculations. In Sec.5 we explore the question of the subluminal NDWs, or bullets, in terms of two different methods, the second one allowing the analytic description of non-diffracting waves with a static envelope ("Frozen Waves", FW), in terms of continuous Bessel ...
Investigation of Acrylic Acid at High Pressure using Neutron Diffraction
Johnston, Blair F.; Marshall, William G.; Parsons, Simon
2014-01-01
This article details the exploration of perdeuterated acrylic acid at high pressure using neutron diffraction. The structural changes that occur in acrylic acid-d4 are followed via diffraction and rationalised using the Pixel method. Acrylic acid undergoes a reconstructive phase transition to a n...
Glancing angle x-ray diffraction : A different approach
Brussel, B.A. van; Hosson, J.Th.M. De
1994-01-01
This letter describes a novel technique of diffracted beam glancing angle x-ray diffraction by which depth profiles of stresses and transformed phases in structures like implanted materials can be determined. An important feature is that this method may be applied successfully in a standard powder d
Vectorial diffraction of extreme ultraviolet light and ultrashort light pulses
Nugrowati, A.M.
2008-01-01
In this thesis, we present applications in optics involving the diffraction theory of light for two advanced technologies. We have used a rigorous vectorial diffraction method to model: (i) the imaging of mask structures in extreme ultraviolet lithography, and (ii) ultrashort pulse propagation thro
Resonant diffraction of synchrotron radiation: New possibilities
Ovchinnikova, E. N.; Mukhamedzhanov, E. Kh.
2016-09-01
Resonant diffraction of synchrotron radiation (SR) is a modern method of studying the structure and properties of condensed matter that can be implemented on third-generation synchrotrons. This method allows one to investigate local properties of media (including magnetic and electronic ones) and observe thermal vibrations, defects, and orbital and charge orderings. A brief review of the advance provided by SR resonant diffraction is presented, and the capabilities of this method for analyzing phase transitions are considered in more detail by the example of potassium dihydrogen phosphate and rubidium dihydrogen phosphate crystals. It is shown that the investigation of the temperature dependence of forbidden reflections not only makes it possible to observe the transition from para- to ferroelectric phase, but also gives information about the proton distribution at hydrogen bonds.
Ray-Based Reflectance Model for Diffraction
Cuypers, Tom; Haber, Tom; Bekaert, Philippe; Raskar, Ramesh
2011-01-01
We present a novel method of simulating wave effects in graphics using ray--based renderers with a new function: the Wave BSDF (Bidirectional Scattering Distribution Function). Reflections from neighboring surface patches represented by local BSDFs are mutually independent. However, in many surfaces with wavelength-scale microstructures, interference and diffraction requires a joint analysis of reflected wavefronts from neighboring patches. We demonstrate a simple method to compute the BSDF for the entire microstructure, which can be used independently for each patch. This allows us to use traditional ray--based rendering pipelines to synthesize wave effects of light and sound. We exploit the Wigner Distribution Function (WDF) to create transmissive, reflective, and emissive BSDFs for various diffraction phenomena in a physically accurate way. In contrast to previous methods for computing interference, we circumvent the need to explicitly keep track of the phase of the wave by using BSDFs that include positiv...
Diffractive Bremsstrahlung in Hadronic Collisions
Roman Pasechnik
2015-01-01
Full Text Available Production of heavy photons (Drell-Yan, gauge bosons, Higgs bosons, and heavy flavors, which is treated within the QCD parton model as a result of hard parton-parton collision, can be considered a bremsstrahlung process in the target rest frame. In this review, we discuss the basic features of the diffractive channels of these processes in the framework of color dipole approach. The main observation is a dramatic breakdown of diffractive QCD factorisation due to the interplay between soft and hard interactions, which dominates these processes. This observation is crucial for phenomenological studies of diffractive reactions in high energy hadronic collisions.
Transurethral Ultrasound Diffraction Tomography
2006-03-01
scattering inverse source theory, J. Math. Phys., pp. 1647-1650, 1981. [8] A.J. Devaney, and G.C. Sherman: Nonuniqueness in inverse source and...models, Ph.D. Thesis, Dept. of Electrical Engineering , University of Utah, Salt Lake City, 1989. [27] X.M. Xu and Q.H. Liu: Fast Spectral-Domain Method
Optical image encryption based on diffractive imaging.
Chen, Wen; Chen, Xudong; Sheppard, Colin J R
2010-11-15
In this Letter, we propose a method for optical image encryption based on diffractive imaging. An optical multiple random phase mask encoding system is applied, and one of the phase-only masks is selected and laterally translated along a preset direction during the encryption process. For image decryption, a phase retrieval algorithm is proposed to extract a high-quality plaintext. The feasibility and effectiveness of the proposed method are demonstrated by numerical results. The proposed method can provide a new strategy instead of conventional interference methods, and it may open up a new research perspective for optical image encryption.
Multiple annular linear diffractive axicons.
Bialic, Emilie; de la Tocnaye, Jean-Louis de Bougrenet
2011-04-01
We propose a chromatic analysis of multiple annular linear diffractive axicons. Large aperture axicons are optical devices providing achromatic nondiffracting beams, with an extended depth of focus, when illuminated by a white light source, due to chromatic foci superimposition. Annular apertures introduce chromatic foci separation, and because chromatic aberrations result in focal segment axial shifts, polychromatic imaging properties are partially lost. We investigate here various design parameters that can be used to achieve color splitting, filtering, and combining using these properties. In order to improve the low-power efficiency of a single annular axicon, we suggest a spatial multiplexing of concentric annular axicons with different sizes and periods we call multiple annular aperture diffractive axicons (MALDAs). These are chosen to maintain focal depths while enabling color imaging with sufficient diffraction efficiency. Illustrations are given for binary phase diffractive axicons, considering technical aspects such as grating design wavelength and phase dependence due to the grating thickness.
Unified approach to hard diffraction
Peschanski, R
2001-01-01
Using a combination of S-Matrix and perturbative QCD properties in the small x_{Bj} regime, we propose a formulation of hard diffraction unifying the partonic (Ingelman-Schlein) Pomeron, Soft Colour Interaction and QCD dipole descriptions.
Blake, David F. (Inventor); Bryson, Charles (Inventor); Freund, Friedmann (Inventor)
1996-01-01
An x-ray diffraction apparatus for use in analyzing the x-ray diffraction pattern of a sample is introduced. The apparatus includes a beam source for generating a collimated x-ray beam having one or more discrete x-ray energies, a holder for holding the sample to be analyzed in the path of the beam, and a charge-coupled device having an array of pixels for detecting, in one or more selected photon energy ranges, x-ray diffraction photons produced by irradiating such a sample with said beam. The CCD is coupled to an output unit which receives input information relating to the energies of photons striking each pixel in the CCD, and constructs the diffraction pattern of photons within a selected energy range striking the CCD.
Development and directions of powder diffraction on proteins
Von Dreele, R.B.; Besnard, C.; Basso, S.; Camus, F.; Pattison, P.; Schiltz, M.; Wright, J.P.; Margiolaki, R.; Fitch, A.N.; Fox, G.C.; Prugoveeki, S.; Beckers, D.; Helliwell, J.R.; Helliwell, M.; Jones, R.H.; Roberts, M.A.; Miura, K.; Kahn, R.; Giacovazzo, C.; Altomare, A.; Caliandro, R.; Camalli, M.; Cuocci, C.; Moliterni, A.G.G.; Rizzi, R.; Hinrichsen, B.; Kern, A.; Coelho, A.A.; Degen, T.; Kokkinidis, M.; Fadouloglou, V.; Gazi, A.; Panopoulos, N.; Pinotsis, N.; Wilmanns, M.; Norrman, M.; Schluckebier, G.; Prugoveeki, B.; Dilovic, J.; Matkovic-Calogovic, D.; Bill, David; Markvardsen, A.; Grosse-Kunstleve, R.; Rius, J.; Glykos Nicholas, M.; Murshudov, G.N
2007-07-01
X-ray diffraction is one of the most important method for obtaining information about the structure of proteins and thereby for gaining insight into fundamental biological and biochemical mechanisms. This seminar was dedicated to X-ray powder diffraction and was organized around 6 sessions: 1) what can powder diffraction do for proteins?, 2) adapting experimentally to proteins, 3) interpreting powder data, 4) the world of protein crystallography, 5) advancing methods for powder data analysis, and 6) transferable methods from single crystals. This document gathers the abstracts of the 23 papers presented. (A.C.)
Jószai, Róbert; Kerekes, Imola; Satoshi, Igarashi; Sawada, Kiyoshi; Zékány, László; Tóth, Imre
2006-07-14
The equilibrium and structure of the complex formed by Al(III) and ethylenediamine-N,N'-bis(3-hydroxy-2-propionate) (EDBHP2-) have been studied using pH-potentiometry, 1H and 27Al NMR, ESI MS and single crystal X-ray diffraction methods. The EDBHP ligand is a strong Al-binder in aqueous solution for pH between 4 and 8 and for c(Al) = c(EDBHP)> or = 0.1 mmol dm(-3). The dominating complex identified by ESI MS and potentiometry is a neutral dimer, Al2L2(OH)2, with logbeta(22-2) = 14.16 +/- 0.03. In the solid Al2(EDBHP)2(OH)2.2H2O the Al(III) ions are connected through a double hydroxo bridge. Both four-dentate organic ligands are coordinated terminally through two carboxylate groups and two N-donors forming three five-membered chelate rings. The hydroxyl groups of the ligand EDBHP remain protonated and are not coordinated to the aluminium ions. The structure and composition of the dimer are very likely the same in solution and the solid state.
A. P. F. Albers
2002-03-01
Full Text Available A técnica de difração de raios X tem sido amplamente utilizada para a determinação de fases cristalinas em materiais cerâmicos. Em argilas, a grande quantidade de quartzo e seu elevado grau de orientação dificultam a identificação e caracterização das demais fases presentes. Baseando-se no princípio da sedimentação, é apresentado neste trabalho um método simples e confiável para a determinação de argilominerais em materiais argilosos.The X-ray diffraction technique has been widely used for the determination of crystalline phases in ceramic materials. The large content and high degree of orientation of quartz in clays pose a problem to the identification and characterization of the remaining phases. A simple and reliable method for the determination of clay minerals in clay materials, based on the sedimentation principle, is presented.
Rahman, Ziyaur; Bykadi, Srikant; Siddiqui, Akhtar; Khan, Mansoor A
2015-05-01
The focus of present investigation was to explore X-ray powder diffraction (XRPD) and solid-state nuclear magnetic resonance (ssNMR) techniques for amorphous and crystalline tacrolimus quantification in the sustained-release amorphous solid dispersion (ASD), and to propose discriminating dissolution method that can detect crystalline drug. The ASD and crystalline physical mixture was mixed in various proportions to make sample matrices containing 0%-100% crystalline-amorphous tacrolimus. Partial-least-square regression and principle component regression were applied to the spectral data. Dissolution of the ASD in the US FDA recommended dissolution medium with and without surfactant was performed. R(2) > 0.99 and slope was close to one for all the models. Root-mean-square of prediction, standard error of prediction, and bias were higher in ssNMR-based models when compared with XRPD data models. Dissolution of the ASD decreased with an increase in the crystalline tacrolimus in the formulations. Furthermore, detection of crystalline tacrolimus in the ASD was progressively masked with an increase in the surfactant level in the dissolution medium. XRPD and ssNMR can be used equally to quantitate the crystalline and amorphous fraction of tacrolimus in the ASD with good accuracy; however, ssNMR data collection time is excessively long, and minimum surfactant level in the dissolution medium maximizes detection of crystalline reversion in the formulation.
New CDF results on diffraction
Mesropian, Christina; /Rockefeller U.
2006-12-01
We report new diffraction results obtained by the CDF collaboration in proton-antiproton collisions at the Fermilab Tevatron collider at {radical}s=1.96 TeV. The first experimental evidence of exclusive dijet and diphoton production is presented. The exclusive results are discussed in context of the exclusive Higgs production at LHC. We also present the measurement of the Q{sup 2} and t dependence of the diffractive structure function.
Radial reflection diffraction tomography
Lehman, Sean K.
2012-12-18
A wave-based tomographic imaging method and apparatus based upon one or more rotating radially outward oriented transmitting and receiving elements have been developed for non-destructive evaluation. At successive angular locations at a fixed radius, a predetermined transmitting element can launch a primary field and one or more predetermined receiving elements can collect the backscattered field in a "pitch/catch" operation. A Hilbert space inverse wave (HSIW) algorithm can construct images of the received scattered energy waves using operating modes chosen for a particular application. Applications include, improved intravascular imaging, bore hole tomography, and non-destructive evaluation (NDE) of parts having existing access holes.
Radial Reflection diffraction tomorgraphy
Lehman, Sean K
2013-11-19
A wave-based tomographic imaging method and apparatus based upon one or more rotating radially outward oriented transmitting and receiving elements have been developed for non-destructive evaluation. At successive angular locations at a fixed radius, a predetermined transmitting element can launch a primary field and one or more predetermined receiving elements can collect the backscattered field in a "pitch/catch" operation. A Hilbert space inverse wave (HSIW) algorithm can construct images of the received scattered energy waves using operating modes chosen for a particular application. Applications include, improved intravascular imaging, bore hole tomography, and non-destructive evaluation (NDE) of parts having existing access holes.
Optimizing Crystal Volume for Neutron Diffraction Studies
Snell, E. H.
2003-01-01
For structural studies with neutron diffraction more intense neutron sources, improved sensitivity detector and larger volume crystals are all means by which the science is being advanced to enable studies on a wider range of samples. We have chosen a simplistic approach using a well understood crystallization method, with minimal amounts of sample and using design of experiment techniques to maximize the crystal volume all for minimum effort. Examples of the application are given.
Accurate measurement of ultrasonic velocity by eliminating the diffraction effect
WEI Tingcun
2003-01-01
The accurate measurement method of ultrasonic velocity by the pulse interferencemethod with eliminating the diffraction effect has been investigated in VHF range experimen-tally. Two silicate glasses were taken as the specimens, their frequency dependences of longitu-dinal velocities were measured in the frequency range 50-350 MHz, and the phase advances ofultrasonic signals caused by diffraction effect were calculated using A. O. Williams' theoreticalexpression. For the frequency dependences of longitudinal velocities, the measurement resultswere in good agreement with the simulation ones in which the phase advances were included.It has been shown that the velocity error due to diffraction effect can be corrected very well bythis method.
Tailoring non-diffractive beams from amorphous light speckles
Di Battista, D.; Ancora, D.; Leonetti, M.; Zacharakis, G.
2016-09-01
Bessel beams are non-diffracting light structures, which maintain their spatial features after meters of propagation and are realized with simple optical elements such as axicon lenses, spatial filters, and lasers. In this paper, we demonstrate a method for generating non diffractive Bessel-like beams through a heavily scattering system, exploiting wavefronts shaped by a spatial light modulator. With the proposed method starting from amorphous speckle patterns, it is possible to produce at user defined positions configurable and non-diffracting light distributions which can improve depth-of-field in speckled illumination microscopy.
Enhancing electron diffraction through precession
Pavia, Giuseppe; Benner, Gerd; Niebel, Harald [Carl Zeiss NTS, Oberkochen (Germany); Patout, Loic [ONERA, Paris (France)
2011-07-01
Nanostructures are often investigated in Transmission Electron Microscopy (TEM), and electron diffraction (ED) can be used to solve nanocrystals. Electrons interact very strongly with matter, and the diffracted intensities are highly dynamical. Precession Electron Diffraction (PED) is a recent technique delivering more kinematical diffraction patterns. We have used an in column energy filtered TEM equipped with precession electron diffraction hardware, which allows working up to 3 precession angle, and energy filtering of the precession patterns. High Order Laue Zones, useful for space group symmetry determination and to enhance fine structure details, appear more clearly. We have compared a microdiffraction pattern and a precession microdiffraction pattern performed along the orientation [010] of a sample TiSi{sub 2} with a space group Fddd. For cubic systems, this orientation allows to distinguish the Bravais lattice and the presence of glide mirrors. We show that with precession, we conserve the distinction of the gap and the difference of periodicity between the ZOLZ and the FOLZ is improved.
Hu, Xiaohua; Choi, Kyoo Sil; Sun, Xin; Ren, Yang; Wang, Yangdong
2016-02-26
The micromechanical properties of the constituent phases were characterized for an advanced high strength steels (AHSS) produced by a quenching and partitioning (Q&P) process with in-situ tensile loading under Synchrotron-based high energy X-ray diffraction. The constituent phases present are retained austenite and three martensites (tempered, untempered and freshly formed martensites). For the material investigated, the 200 and 220 lattice strains of the retained austenite phase were calculated by examining the changes of the X-ray diffraction peak positions during deformation. The 200 and 211 lattice strains of the various martensitic phases with similar crystal structures were determined by separating their overlapped diffraction peaks. Apart from tempered and untempered martensite, the diffraction peaks of freshly formed martensite as a result of austenite to martensite transformation can also be able separated due to high initial austenite volume fraction. The phase stresses are first estimated with an empirical relationship through the X-ray diffraction elastic constants (XREC). A multi-phase elasto-plastic self constant model (EPSC) is next used for more accurate determination of the constitutive behaviors of the various phases by comparing the predicted lattice strain distributions and global stress-strain curves with the measured ones. The determined constitutive laws will be used for microstructure-based modeling for sheet formability of the Q&P AHSS steel.
Hu, Xiaohua; Choi, Kyoo Sil; Sun, Xin; Ren, Yang; Wang, Yangdong
2016-12-01
The micromechanical properties of the constituent phases were characterized for advanced high-strength steels (AHSS) produced by a quenching and partitioning (Q&P) process with in situ tensile loading under synchrotron-based, high-energy X-ray diffraction. The constituent phases present are retained austenite and three martensites (tempered, untampered, and freshly formed martensites). For the material investigated, the 200 and 220 lattice strains of the retained austenite phase were calculated by examining the changes of the X-ray diffraction peak positions during deformation. The 200 and 211 lattice strains of the various martensitic phases with similar crystal structures were determined by separating their overlapped diffraction peaks. Apart from tempered and untempered martensite, the diffraction peaks of freshly formed martensite as a result of austenite-to-martensite transformation can also be separated due to a high initial austenite volume fraction. The phase stresses are first estimated with an empirical relationship through the X-ray diffraction elastic constants. A multiphase elasto-plastic self-consistent model is next used for more accurate determination of the constitutive behaviors of the various phases by comparing the predicted lattice strain distributions and global stress-strain curves with the measured ones. The determined constitutive laws will be used for microstructure-based modeling for sheet formability of the Q&P AHSS steel.
施新华; 武立宏; 栗春
2011-01-01
Detail introduction was done to the latest European standard test method for residual stress measurement by X-ray diffraction EN 15305- 2008 in the aspects of measurement principles, material characteristics, instruments selection, limited cases and handling methods. While measuring residual stress by X-ray diffraction, special attention should be taken in following aspects. EN 15305--2008 and American standard ASTM E915--2010 both specified the adoption of complete formula which did not assume zero shear stress and use of ellipse fitting, otherwise systematic errors may occur. At least 7 times measurement in the sin^2φ range were necessary with negative and positive values of φ in order to analyze the φ-splitting in ellipse fitting, and more than 9 times measurement were recommended. It was suggested to use Cu target X-ray source to measure the stress of titanium alloy. If other targets were used, consideration should be taken as the result should be different to the standard ones due to different penetration depths. Detectors with good energy resolution and not sensible to radiation saturation should be selected. Measurement precision on zero stress iron powder should be ± 6.9 MPa as normal and ± 14 MPa as maximum.%对最新的欧盟X射线衍射残余应力测定标准EN15305-2008，从测试原理、材料特性、仪器的选择、限制条件及处理方法等方面进行了详细的介绍。指出在进行X射线残余应力测定时特别需要注意以下几个方面：EN153052008和美国X射线残余应力测定标准ASTME915—2010均明确要求采用不假定剪切应力为零的完整应力方程和椭圆拟合方法，否则会出现系统误差；用于拟合的sin^2φ值在正负妒方向上最少需要测试7个，建议测试9个以上；测定钛合金材料残余应力时建议使用铜靶X射线管，如使用其他靶材则需考虑X射线穿透深度不同带来的与标准方法的差异；应选择高能
Diffraction past, present and future
Predazzi, Enrico
1998-01-01
Hadronic diffraction has become a hot and fashionable subject in recent years due to the great interest triggered by the HERA and Tevatron data. These data have helped to put the field in a different perspective paving the road to a hopefully more complete understanding than hitherto achieved. The forthcoming data in the next few years from even higher energies (LHC) promise to sustain this interest for a long time. It is, therefore, necessary to provide the younger generations with as complete as possible discussion of the main developments that have marked the growth of high energy diffractive physics in the past and to assess the present state of the art. For this reason, this part will be by far the largest. The analysis of the relationship between conventional diffractive physics and the low-x physics from deep inelastic scattering will allow us also to review the instruments which could help to understand the developments we can expect from the future.
Diffractive dijet production at HERA
Bruni, A; Krämer, G; Schatzel, S
2005-01-01
We present recent experimental data from the H1 and ZEUS Collaborations at HERA for diffractive dijet production in deep-inelastic scattering (DIS) and photoproduction and compare them with next-to-leading order (NLO) QCD predictions using diffractive parton densities. While good agreement is found for DIS, the dijet photoproduction data are overestimated by the NLO theory, showing that factorization breaking occurs at this order. While this is expected theoretically for resolved photoproduction, the fact that the data are better described by a global suppression of direct and resolved contribution by about a factor of two comes as a surprise. We therefore discuss in some detail the factorization scheme and scale dependence between direct and resolved contributions and propose a new factorization scheme for diffractive dijet photoproduction.
Periodically distributed objects with quasicrystalline diffraction pattern
Wolny, Janusz, E-mail: wolny@fis.agh.edu.pl; Strzalka, Radoslaw [Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Krakow (Poland); Kuczera, Pawel [Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Krakow (Poland); Laboratory of Crystallography, ETH Zurich, Wolfgang-Pauli-Strasse 10, CH-8093 Zurich (Switzerland)
2015-03-30
It is possible to construct fully periodically distributed objects with a diffraction pattern identical to the one obtained for quasicrystals. These objects are probability distributions of distances obtained in the statistical approach to aperiodic structures distributed periodically. The diffraction patterns have been derived by using a two-mode Fourier transform—a very powerful method not used in classical crystallography. It is shown that if scaling is present in the structure, this two-mode Fourier transform can be reduced to a regular Fourier transform with appropriately rescaled scattering vectors and added phases. Detailed case studies for model sets 1D Fibonacci chain and 2D Penrose tiling are discussed. Finally, it is shown that crystalline, quasicrystalline, and approximant structures can be treated in the same way.
徐斌; 满建民; 韦存虚
2012-01-01
植物淀粉有A-型、B-型和C-型3种晶体.以水稻(Oryza sativa)、马铃薯(Solanum tuberosum)、豌豆(Pisum sativum)和莲藕(Nelumbo nucifera)淀粉为材料,利用粉末X-射线衍射仪(XRD)调查了不同晶体类型淀粉的波谱特征,探讨XRD波谱相对结晶度的计算方法.软件峰拟合法、软件曲线法、直线作图法和曲线作图法均可用于计算淀粉XRD波谱的相对结晶度,以曲线作图法计算结果较为可靠.利用曲线作图法得出的结果表明,稻米淀粉的结晶度与直链淀粉含量呈显著线性负相关,酸解莲藕淀粉的结晶度与淀粉酸水解度呈显著线性正相关.酸水解使莲藕淀粉的C-型晶体转变为A-型晶体.上述研究结果为利用XRD分析植物淀粉晶体类型和计算相对结晶度提供了重要参考.%Plant starches have A-, B-, and C-type crystallinity. We investigated spectrum characteristics of starches from rice, potato, pea and lotus by X-ray powder diffraction (XRO). Peak-fitting, curved-line, straight-line mapping and curved-line mapping methods are commonly used for determining relative crystallinity of starch XRD spectra. The curved-line mapping method has reliable results. We found the relative crystallinity of rice starch negatively associated with amylose content and that of acid-modified lotus starches positively associated with acid hydrolysis degree by the curved-line mapping method. The crystallinity of lotus starch changed from C- to A-type during acid hydrolysis. These results would be useful for XRD analysis of crystallinity and relative crystallinity of plant starches.
High pressure x-ray diffraction techniques with synchrotron radiation
Jing, Liu
2016-07-01
This article summarizes the developments of experimental techniques for high pressure x-ray diffraction (XRD) in diamond anvil cells (DACs) using synchrotron radiation. Basic principles and experimental methods for various diffraction geometry are described, including powder diffraction, single crystal diffraction, radial diffraction, as well as coupling with laser heating system. Resolution in d-spacing of different diffraction modes is discussed. More recent progress, such as extended application of single crystal diffraction for measurements of multigrain and electron density distribution, time-resolved diffraction with dynamic DAC and development of modulated heating techniques are briefly introduced. The current status of the high pressure beamline at BSRF (Beijing Synchrotron Radiation Facility) and some results are also presented. Project supported by the National Natural Science Foundation of China (Grant Nos. 10875142, 11079040, and 11075175). The 4W2 beamline of BSRF was supported by the Chinese Academy of Sciences (Grant Nos. KJCX2-SW-N20, KJCX2-SW-N03, and SYGNS04).
Acoustooptic Diffraction in Borate Crystals
Martynyuk-Lototska, I; Krupych, O; Adamiv, V; Smirnov, Ye; Vlokh, R
2004-01-01
The efficiency of acoustooptic (AO) diffraction in a-BaB2O4 and Li2B4O7 crystals is studied experimentally. The crystals are shown to be quite good AO materials. The efficiency of AO diffraction in a-BaB2O4 reaches h=30% at the electric signal power of P=0.7W for the transverse acoustic wave and 15% at the power of P=0.56W for the longitudinal wave. The same parameter for Li2B4O7 reaches h=21% at P=0,81W for the longitudinal acoustic wave.
High-pressure neutron diffraction
Xu, Hongwu [Los Alamos National Laboratory
2011-01-10
This lecture will cover progress and prospect of applications of high-pressure neutron diffraction techniques to Earth and materials sciences. I will first introduce general high-pressure research topics and available in-situ high-pressure techniques. Then I'll talk about high-pressure neutron diffraction techniques using two types of pressure cells: fluid-driven and anvil-type cells. Lastly, I will give several case studies using these techniques, particularly, those on hydrogen-bearing materials and magnetic transitions.
New-corrected functions of X-ray powder diffraction
ZHANG QingLi; LIU WenPeng; DING LiHua; JIANG HaiHe; YIN ShaoTang
2009-01-01
X-ray powder diffraction is an indispensable technique to study material structure,phase transition and so on.It is necessary for high quality diffraction data to get high-precision diffraction angle.This work proposed four corrected functions of X-ray powder diffraction angle.Two methods,linearization method and modified Levenberg-Marquardt iteration method,are given to solve the function parameters,and the modified Levenberg-Marquardt method has fast convergent speed and stable solution.Two methods can give closed parameters,including those of Lu,Liu,and Chu functions and polynomial.New-corrected functions were used to fit the diffraction angle error of the tetragonal rutile polycrystalline TiO_2 mixed with Gd_(0.45)Y_(2.55)Sc_2Ga_3O_(12) as a standard sample,and the computation result indicates that these functions can characterize the diffraction error very well.In some cases,the new-corrected functions can describe the diffraction angle error better than the reported corrected functions.At the same time,the lattice parameter of Gd_(0.45)Y_(2.55)Sc_2Ga_3O_(12) was computed with two methods.When the corrected function parameters and lattice parameters were solved by the least square method,the interaction of the function parameters and lattice parameters would result in great error.However,when the X-ray diffraction angles were corrected by corrected functions using a standard sample,the authentic lattice parameters can be obtained by the least square fitting.
Phase retrieval from single biomolecule diffraction pattern.
Ikeda, Shiro; Kono, Hidetoshi
2012-02-13
In this paper, we propose the SPR (sparse phase retrieval) method, which is a new phase retrieval method for coherent x-ray diffraction imaging (CXDI). Conventional phase retrieval methods effectively solve the problem for high signal-to-noise ratio measurements, but would not be sufficient for single biomolecular imaging which is expected to be realized with femto-second x-ray free electron laser pulses. The SPR method is based on the Bayesian statistics. It does not need to set the object boundary constraint that is required by the commonly used hybrid input-output (HIO) method, instead a prior distribution is defined with an exponential distribution and used for the estimation. Simulation results demonstrate that the proposed method reconstructs the electron density under a noisy condition even some central pixels are masked.
Stacey, Peter; Kauffer, Edmond; Moulut, Jean-Claude; Dion, Chantal; Beauparlant, Martin; Fernandez, Pablo; Key-Schwartz, Rosa; Friede, Bernd; Wake, Derrick
2009-08-01
It is important that analytical results, produced to demonstrate compliance with exposure limits are comparable, to ensure controls are monitored to similar standards. Correcting a measurement result of respirable alpha-quartz for the percentage of crystalline material in the calibration dust is good analytical practice and significant changes in the values assigned to calibration materials will affect the interpretation of results by an analyst or occupational hygiene professional. The reissue of the certification for the quartz reference material NIST 1878a in 2005 and differences in comparative values obtained by other work created uncertainty about the values of crystallinity assigned to national calibration dusts for alpha-quartz. Members of an International Organization for Standardization working group for silica measurement ISO/TC146/SC2/WG7 collaborated to investigate the comparability of results by X-ray diffraction (XRD) and to reach a consensus. This paper lists the values recommended by the working group for use with XRD analysis. The values for crystallinity obtained for some of the materials (NIST 1878, Min-U-Sil5 and A9950) were 6-7% lower than the original certification or estimates reported in other comparisons. Crystallinity values obtained by XRD gave a good correlation with BET surface area measurements (r2 = 0.91) but not with mean aerodynamic particle size (r2 = 0.31). Subsamples of two of the materials (A9950 Respirable and Quin 1 Respirable) with smaller particle size distribution than their parent material did not show any significant change in their values for crystallinity, suggesting that the area XRD measurement of these materials within the particle size range collected is more dependent on how the quartz is formed geologically or how it is processed for use. A comparison of results from laboratories using the infrared (IR) and KBr disc method showed that this method is more dependent than XRD on differences in the particle size
Hard diffraction and rapidity gaps
Albrow, M.G.
1994-08-01
I describe the evolution of experiments at hadron colliders on (a) high mass diffraction (b) double pomeron exchange, from the ISR through the Sp{bar p}S to the Tevatron. I emphasize an experimental approach to the question: ``What is the pomeron?``
Diffractive charged meson pair production
Lehmann-Dronke, B; Schäfer, S; Stein, E; Schäfer, A
1999-01-01
We investigate the possibility to measure the nonforward gluon distribution function by means of diffractively produced charged pion and kaon pairs in polarized lepton nucleon scattering. The resulting cross sections are sizable and are dominated by the gluonic contribution. We find large spin asymmetries, both for pion pairs and for kaon pairs.
3D -Ray Diffraction Microscopy
Poulsen, Henning Friis; Schmidt, Søren; Juul Jensen, Dorte
2014-01-01
Three-dimensional X-ray diffraction (3DXRD) microscopy is a fast and non-destructive structural characterization technique aimed at the study of individual crystalline elements (grains or subgrains) within mm-sized polycrystalline specimens. It is based on two principles: the use of highly penetr...
Stretchable diffraction gratings for spectrometry
Simonov, A.N.; Grabarnik, S.; Vdovine, G.V
2007-01-01
We have investigated the possibility of using transparent stretchable diffraction gratings for spectrometric applications. The gratings were fabricated by replication of a triangular-groove master into a transparent viscoelastic. The sample length, and hence the spatial period, can be reversibly cha
Unifying approach to hard diffraction
Navelet, H
2001-01-01
We find a formulation of hard diffraction unifying the partonic (Ingelman-Schlein) Pomeron, Soft Colour Interaction and QCD dipole descriptions. A theoretical interpretation in terms of S-Matrix and perturbative QCD properties in the small x_{Bj} regime is proposed.
Progress in Diffraction Enhanced Imaging
无
2004-01-01
@@ In cooperation with the Topography Station of Beijing Synchrotron Radiation under CAS Institute of High Energy Physics, a research group from the CAS Shanghai Institute of Optics and Fine Mechanics (SIOM) has made encouraging progress in the diffraction enhanced imaging technology through phase-contrast microscope by hard X-rays.
A QCD analysis of ZEUS diffractive data
Chekanov, S.; Derrick, M.; Magill, S. [Argonne National Laboratory, Argonne, IL (US)] (and others)
2009-11-15
ZEUS inclusive diffractive cross-section measurements have been used in a DGLAP next-to-leading-order QCD analysis to extract the diffractive parton distribution functions. Data on diffractive dijet production in deep inelastic scattering have also been included to constrain the gluon density. Predictions based on the extracted parton densities are compared to diffractive charm and dijet photoproduction data. (orig.)
Low-Mass Diffraction at the LHC
Jenkovszky, Laszlo; Lämsä, Jerry; Orava, Risto
2011-01-01
The expected resonance structure for the low-mass single diffractive states from a Regge-dual model elaborated paper by the present authors in a previous is predicted. Estimates for the observable low-mass single diffraction dissociation (SDD) cross sections and efficiencies for single diffractive events simulated by PYTHIA 6.2 as a function of the diffractive mass are given.
Minyukova, T.P.; Shtertser, N.V.; Khassin, A.A.; Plyasova, L.M.; Kustova, G.N.; Zaikovskii, V.I.; Shvedenkov, Y.G.; Baronskaya, N.A.; van den Heuvel, J.C.; Kuznetsova, A.V.; Davydova, L.P.; Yur'eva, T.M.
2008-01-01
The reduced and reoxidized Cu-Zn-Si oxide catalysts as layered copper-zinc hydroxo silicates with the zincsilite structure were studied using in situ and ex situ X-ray diffraction analysis, transmission electron microscopy, and the temperature dependence of magnetic susceptibility. The catalysts wer
Enhanced analysis of biomaterials by synchrotron diffraction
Rogers, K. [Cranfield Postgraduate Medical School, Cranfield University, Shrivenham, Swindon, Wiltshire, SN6 8LA (United Kingdom)]. E-mail: k.d.rogers@cranfield.ac.uk; Etok, S. [Cranfield Postgraduate Medical School, Cranfield University, Shrivenham, Swindon, Wiltshire, SN6 8LA (United Kingdom); Broadhurst, A. [Cranfield Postgraduate Medical School, Cranfield University, Shrivenham, Swindon, Wiltshire, SN6 8LA (United Kingdom); Scott, R. [Biomet-Europe, Dorcan Way, Swindon, Wiltshire, SN3 5HY (United Kingdom)
2005-08-11
There is an increasing body of evidence that prosthetic implants based upon titanium alloys attain improved performance when coated with calcium hydroxyapatite (HAP). Such coatings appear to promote osteointegration and bone in-growth. Plasma spraying is the most frequently employed route to coating fabrication. Detailed chemical and structural characterisation of these coatings is essential for (i) coating technology development (ii) ensuring consistent material quality and (iii) assessing coating performance. The work presented here employed combined conventional powder diffraction and glancing angle synchrotron diffraction to examine the in vitro performance of apatite coatings formed by plasma spraying. Coatings were exposed to simulated body fluid and foetal calf serum, and changes to the coating chemistry and structure determined. A new analysis method, synchrotron depth profiling tomography, has been applied to obtain structural features through the coating depth. The dissolution and re-precipitation behaviour of the coatings was found to be significantly different for each media. For the first time, it has been possible to identify and quantify the formation of a nanocrystalline, carbonated HAP phase. It has been possible to simultaneously model all coating phases apparent within the X-ray diffraction data and thus quantify changes to film composition. DPT has also revealed subtle changes in coating features with depth and these may have a significant impact on coating dissolution. The findings are discussed in the context of kinematic models for the coating behaviour and implications for the performance of such coatings in vivo.
Enhanced high-speed coherent diffraction imaging
Potier, Jonathan; Fricker, Sebastien; Idir, Mourad
2011-03-01
Due to recent advances in X-ray microscopy, we are now able to image objects with nanometer resolution thanks to Synchrotron beam lines or Free Electron Lasers (FEL). The PCI (Phase Contrast Imaging) is a robust technique that can recover the wavefront from measurements of only few intensity pictures in the Fresnel diffraction region. With our fast straightforward calculus methods, we manage to provide the phase induced by a microscopic specimen in few seconds. We can therefore obtain high contrasted images from transparent materials at very small scales. To reach atomic resolution imaging and thus make a transition from the near to the far field, the Coherent Diffraction Imaging (CDI) technique finds its roots in the analysis of diffraction patterns to obtain the phase of the altered complex wave. Theoretical results about existence and uniqueness of this retrieved piece of information by both iterative and direct algorithms have already been released. However, performances of algorithms remain limited by the coherence of the X-ray beam, presence of random noise and the saturation threshold of the detector. We will present reconstructions of samples using an enhanced version of HIO algorithm improving the speed of convergence and its repeatability. As a first step toward a practical X-Ray CDI system, initial images for reconstructions are acquired with the laser-based CDI system working in the visible spectrum.
Fresnel diffraction from a step in reflection and transmission
M. T. Tavassoly
2001-06-01
Full Text Available In this paper Fresnel diffraction of light from 1-dimensional and circular steps in reflection and transmission modes is theoretically and experimentally studied. The study shows that the diffraction pattern from each side of a step resembles the diffraction pattern from a semi infinite obstacle, but the visibility of fringes is a sensitive periodic function of the step height and the incident angle. This sensitive dependence can be exploited as a useful means for measuring the film thickeness, the refraction index and small displacements of objects in a manner easier and more precise that one can manage by the conventional interferometric methods.
Measuring slit width and separation in a diffraction experiment
Gan, K K; Law, A T [Department of Physics, Ohio State University, Columbus, OH 43210 (United States)], E-mail: gan@mps.ohio-state.edu
2009-11-15
We present a procedure for measuring slit width and separation in single- and double-slit diffraction experiments. Intensity spectra of diffracted laser light are measured with an optical sensor (PIN diode). Slit widths and separations are extracted by fitting to the measured spectra. We present a simple fitting procedure to account for the integration (averaging) of light across the finite sensor aperture. This experiment provides students with a quantitative, in-depth verification of diffraction theory, as well as hands-on experience in sophisticated fitting methods.
Label-free classification of cultured cells through diffraction imaging.
Dong, Ke; Feng, Yuanming; Jacobs, Kenneth M; Lu, Jun Q; Brock, R Scott; Yang, Li V; Bertrand, Fred E; Farwell, Mary A; Hu, Xin-Hua
2011-06-01
Automated classification of biological cells according to their 3D morphology is highly desired in a flow cytometer setting. We have investigated this possibility experimentally and numerically using a diffraction imaging approach. A fast image analysis software based on the gray level co-occurrence matrix (GLCM) algorithm has been developed to extract feature parameters from measured diffraction images. The results of GLCM analysis and subsequent classification demonstrate the potential for rapid classification among six types of cultured cells. Combined with numerical results we show that the method of diffraction imaging flow cytometry has the capacity as a platform for high-throughput and label-free classification of biological cells.
Design and Analysis of Diffractive Axicons for Gaussian Beam Illumination
PU Jixiong; Shojiro Nemoto
2001-01-01
The diffractive axicon for the illumination with Gaussian beams is designed. The stationary phase method and the numerical calculation are used to analyze the diffraction integral describing the diffraction field. It is shown that with the Gaussian beam illumination of a smaller beam radius, the axicon can produces the uniform-axial-intensity with the lower oscillation frequency and the smaller oscillation amplitude. In addition, with the Gaussian beam illumination of a suitable beam radius, we can achieve the more uniform central-core width.
Diffractive and Exclusive Processes at CMS
Kuznetsova, Ekaterina
2014-01-01
We present an overview of the CMS results on diffractive and exclusive production.Measurements of inclusive single and double diffractive production are discussedas well as measurements of the diffractive production at a hard scale. Measurementsof charged particle multiplicities for single diffractive enhanced data sample and studies of central diffractive jet production were perfrmed in a collaboration with the TOTEM experiment. CMS results on cross section measurements for exclusive dilepton and WW production are also presented.
Revealing small-scale diffracting discontinuities by an optimization inversion algorithm
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.
Xixin Wang
2012-01-01
Full Text Available ZrO2 nanotube arrays were prepared by anodization method in aqueous electrolyte containing (NH42SO4 and NH4F. The morphology and structure of nanotube arrays were characterized through scanning electron microscope, X-ray diffraction, and infrared spectra analysis. The zirconia nanotube arrays were used as catalyst in esterification reaction. The effects of calcination temperature and electrolyte concentration on catalytic esterification activity have been investigated in detail. Experiments indicate that nanotube arrays have highest catalytic activity when the concentration of (NH42SO4 is 1 mol/L, the concentration of NH4F is 1 wt%, and the calcination temperature is 400°C. Esterification reaction yield of as much as 97% could be obtained under optimal conditions.
Diffraction leveraged modulation of X-ray pulses using MEMS-based X-ray optics
Lopez, Daniel; Shenoy, Gopal; Wang, Jin; Walko, Donald A.; Jung, Il-Woong; Mukhopadhyay, Deepkishore
2016-08-09
A method and apparatus are provided for implementing Bragg-diffraction leveraged modulation of X-ray pulses using MicroElectroMechanical systems (MEMS) based diffractive optics. An oscillating crystalline MEMS device generates a controllable time-window for diffraction of the incident X-ray radiation. The Bragg-diffraction leveraged modulation of X-ray pulses includes isolating a particular pulse, spatially separating individual pulses, and spreading a single pulse from an X-ray pulse-train.
The optimization of diffraction structures based on the principle selection of the main criterion
Kravets, O.; Beletskaja, S.; Lvovich, Ya; Lvovich, I.; Choporov, O.; Preobrazhenskiy, A.
2017-02-01
The possibilities of optimizing the characteristics of diffractive structures are analysed. A functional block diagram of a subsystem of diffractive structure optimization is shown. Next, a description of the method for the multicriterion optimization of diffractive structures is given. We then consider an algorithm for selecting the main criterion in the process of optimization. The algorithm efficiency is confirmed by an example of optimization of the diffractive structure.
Inversion of diffraction data for amorphous materials
Pandey, Anup; Biswas, Parthapratim; Drabold, D. A.
2016-09-01
The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored-is an important unsolved problem for disordered materials. Such modeling should proceed by using our full knowledge base, both from experiment and theory. In this paper, we describe a robust method to jointly exploit the power of ab initio atomistic simulation along with the information carried by diffraction data. The method is applied to two very different systems: amorphous silicon and two compositions of a solid electrolyte memory material silver-doped GeSe3. The technique is easy to implement, is faster and yields results much improved over conventional simulation methods for the materials explored. By direct calculation, we show that the method works for both poor and excellent glass forming materials. It offers a means to add a priori information in first-principles modeling of materials, and represents a significant step toward the computational design of non-crystalline materials using accurate interatomic interactions and experimental information.
Adaptive perfectly matched layer for Wood's anomalies in diffraction gratings
Vial, Benjamin; Nicolet, André; Commandré, Mireille; Tisserand, Stéphane
2015-01-01
We propose an Adaptive Perfectly Matched Layer (APML) to be used in diffraction grating modeling. With a properly tailored co-ordinate stretching depending both on the incident field and on grating parameters, the APML may efficiently absorb diffracted orders near grazing angles (the so-called Wood's anomalies). The new design is implemented in a finite element method (FEM) scheme and applied on a numerical example of a dielectric slit grating. Its performances are compared with classical PML with constant stretching coefficient.
High Pressure X-Ray Diffraction Studies on Nanocrystalline Materials
Palosz, B.; Stelmakh, S.; Grzanka, E.; Gierlotka, S.; Pielaszek, R.; Bismayer, U.; Werner, S.; Palosz, W.
2003-01-01
Application of in situ high pressure powder diffraction technique for examination of specific structural properties of nanocrystals based on the experimental data of SiC nanocrystalline powders of 2 to 30 nrn diameter in diameter is presented. Limitations and capabilities of the experimental techniques themselves and methods of diffraction data elaboration applied to nanocrystals with very small dimensions (nanocrystalline powders under pressure. We offer a tentative interpretation of the distribution of macro- and micro-strains in nanoparticles of different grain size.
Structure factor determination of amorphous materials by neutron diffraction
Cuello, Gabriel J [Institut Laue Langevin, 6 rue Jules Horowitz, BP 156, F-38042 Grenoble Cedex 9 (France)], E-mail: cuello@ill.eu
2008-06-18
An introduction is given to structure factor determination by means of neutron diffraction. The method of isotopic substitution, which allows us to separate the partial correlation functions, is also presented. Suitable instruments, the experimental procedures, and corrections are described. Other less-conventional techniques such as isomorphic substitution and anomalous dispersion are also discussed. Finally, examples of the structure factor determination in chalcogenide, molecular, telluride and phosphate glasses are discussed in order to illustrate the usefulness of the neutron diffraction technique.
LHC Working Group on Forward Physics and Diffraction
2015-01-01
The LHC Working Group on Forward Physics and Diffraction is a forum for: * interaction between theorists and experimentalists from the LHC experiments about forward physics * definition of a physics programme for diffraction either using the rapidity gap method or proton tagging * definition of a common strategy among the different LHC experiments (special runs ...) * discussion of the different forward detectors (roman pots, movable beam pipes, timing and position detectors) * application to cosmic ray physics
Angle-resolved diffraction grating biosensor based on porous silicon
Lv, Changwu; Jia, Zhenhong; Liu, Yajun; Mo, Jiaqing; Li, Peng; Lv, Xiaoyi
2016-03-01
In this study, an optical biosensor based on a porous silicon composite structure was fabricated using a simple method. This structure consists of a thin, porous silicon surface diffraction grating and a one-dimensional porous silicon photonic crystal. An angle-resolved diffraction efficiency spectrum was obtained by measuring the diffraction efficiency at a range of incident angles. The angle-resolved diffraction efficiency of the 2nd and 3rd orders was studied experimentally and theoretically. The device was sensitive to the change of refractive index in the presence of a biomolecule indicated by the shift of the diffraction efficiency spectrum. The sensitivity of this sensor was investigated through use of an 8 base pair antifreeze protein DNA hybridization. The shifts of the angle-resolved diffraction efficiency spectrum showed a relationship with the change of the refractive index, and the detection limit of the biosensor reached 41.7 nM. This optical device is highly sensitive, inexpensive, and simple to fabricate. Using shifts in diffraction efficiency spectrum to detect biological molecules has not yet been explored, so this study establishes a foundation for future work.
Phase-diffractive coating for daylight control on smart window
Perennes, Frederic; Twardowski, Patrice J.; Gesbert, D.; Meyrueis, Patrick
1992-11-01
Daylight can be processed by a smart window in a transmission, reflective, refractive, and diffractive mode. In the future an optimization will be realized by a mixing of these approaches depending on the applied cases. Non-imaging diffractive optics has its roots in the work done in holographic diffractive coating for head up displays (HUD) and helmet mounted displays. For having globally good results on smart window with diffractive coating, a very high diffraction efficiency must be reached close to 100% without having a too important lowering of the control of other parameters of the light processed by a smart window (direction and frequency control essentially). We propose a method for designing, realizing, and using diffractive coating for a smart window that is based on a new organic material and diffractive model that were already validated in HUD. Potential low cost is possible for mass production on a large surface with an adapted investment. We describe the present technology and its limits and the ones that can be reached in the future. In this work, we present a holographic way to modify the slant of sun rays through a window, and to filter infrared radiations by using dichromated gelatin material. In this way it would be able to ensure a more uniform lighting and a more pleasant temperature inside buildings or vehicles, without using dye or photochromics glasses.
Anomalous diffraction in hyperbolic materials
Alberucci, Alessandro; Boardman, Allan D; Assanto, Gaetano
2016-01-01
We demonstrate that light is subject to anomalous (i.e., negative) diffraction when propagating in the presence of hyperbolic dispersion. We show that light propagation in hyperbolic media resembles the dynamics of a quantum particle of negative mass moving in a two-dimensional potential. The negative effective mass implies time reversal if the medium is homogeneous. Such property paves the way to diffraction compensation, spatial analogue of dispersion compensating fibers in the temporal domain. At variance with materials exhibiting standard elliptic dispersion, in inhomogeneous hyperbolic materials light waves are pulled towards regions with a lower refractive index. In the presence of a Kerr-like optical response, bright (dark) solitons are supported by a negative (positive) nonlinearity.
Anomalous diffraction in hyperbolic materials
Alberucci, Alessandro; Jisha, Chandroth P.; Boardman, Allan D.; Assanto, Gaetano
2016-09-01
We demonstrate that light is subject to anomalous (i.e., negative) diffraction when propagating in the presence of hyperbolic dispersion. We show that light propagation in hyperbolic media resembles the dynamics of a quantum particle of negative mass moving in a two-dimensional potential. The negative effective mass implies time reversal if the medium is homogeneous. Such property paves the way to diffraction compensation, i.e., spatial analog of dispersion compensating fibers in the temporal domain. At variance with materials exhibiting standard elliptic dispersion, in inhomogeneous hyperbolic materials light waves are pulled towards regions with a lower refractive index. In the presence of a Kerr-like optical response, bright (dark) solitons are supported by a negative (positive) nonlinearity.
Diffraction operators in paraxial approach
Lasso, William; Navas, Marianela; Añez, Liz; Urdaneta, Romer; Díaz, Leonardo; Torres, César O.
2014-07-01
Nowadays, research in the field of science education points to the creation of alternative ways of teaching contents encouraging the development of more elaborate reasoning, where a high degree of abstraction and generalization of scientific knowledge prevails. On that subject, this research shows a didactic alternative proposal for the construction of Fresnel and Fraunhoffer diffraction concepts applying the Fourier transform technique in the study of electromagnetic waves propagation in free space. Curvature transparency and Fourier sphere operators in paraxial approximation are used in order to make the usual laborious mathematical approach easier. The main result shows that the composition of optic metaxial operators results in the discovery of a simpler way out of the standard electromagnetic wave propagation in free space between a transmitter and a receptor separated from a given distance. This allows to state that the didactic proposal shown encourages the construction of Fresnel and Fraunhoffer diffraction concepts in a more effective and easier way than the traditional teaching.
Confinement, Turbulence and Diffraction Catastrophes
Blaizot, J.-P.; Nowak, M. A.
2009-08-01
Many features of the large N transition that occurs in the spectral density of Wilson loops as a function of loop area (observed recently in numerical simulations of Yang-Mills theory by Narayanan and Neuberger) can be captured by a simple Burgers equation used to model turbulence. Spectral shock waves that precede this asymptotic limit exhibit universal scaling with N, with indices that can be related to Berry indices for diffraction catastrophes.
Comparative study of different Schlieren diffracting elements
Raj Kumar; Sushil K Kaura; D P Chhachhia; D Mohan; A K Aggarwal
2008-01-01
This paper presents an analysis of diffraction effects taking place at different Schlieren diffracting elements. Two types of diffraction effects are prominent in the Schlieren schemes. One is diffraction of direct light (source image) at the Schlieren element, which limits the sensitivity and resolution of Schlieren systems. The second type is the diffraction of light deflected from the test object at the Schlieren-diffracting element. This second type of diffraction degrades the quality of Schlieren results. Experimental results showing the effect of diffraction of light deflected from the test object at a phase knife-edge, corner of a square phase aperture and an optical fiber tip as Schlieren diffracting elements have been presented and discussed.
Kolyuchkin, V. V.; Odinokov, S. B.
2016-08-01
The method of security hologram quality inspection, in which the relief phase parameters are determined by registering results of the intensity distribution in diffraction orders, is known. The profile of relief as a harmonious distribution is represented. Deviation of the real relief profile from the ideal profile, another words phase relief noise, influence on the accuracy of this method. In the paper, on the assumption of homogeneity of the phase relief noise, the mathematical expressions for evaluating the influence of the phase relief noise on the intensity distribution in the diffraction orders are represented. Parameters of the correlation functions approximation describing the phase relief noise are determined. The dependence of the intensity values from the standard deviation of the phase relief noise is represented.
Stretchable diffraction gratings for spectrometry.
Simonov, Aleksey N; Grabarnik, Semen; Vdovin, Gleb
2007-07-23
We have investigated the possibility of using transparent stretchable diffraction gratings for spectrometric applications. The gratings were fabricated by replication of a triangular-groove master into a transparent viscoelastic. The sample length, and hence the spatial period, can be reversibly changed by mechanical stretching. When used in a monochromator with two slits, the stretchable grating permits scanning the spectral components over the output slit, converting the monochromator into a scanning spectrometer. The spectral resolution of such a spectrometer was found to be limited mainly by the wave-front aberrations due to the grating deformation. A model relating the deformation-induced aberrations in different diffraction orders is presented. In the experiments, a 12-mm long viscoelastic grating with a spatial frequency of 600 line pairs/mm provided a full-width at half-maximum resolution of up to ~1.2 nm in the 580-680 nm spectral range when slowly stretched by a micrometer screw and ~3 nm when repeatedly stretched by a voice coil at 15 Hz. Comparison of aberrations in transmitted and diffracted beams measured by a Shack- Hartmann wave-front sensor showed that astigmatisms caused by stretch-dependent wedge deformation are the main factors limiting the resolution of the viscoelastic-grating-based spectrometer.
Triple Bragg diffraction in paratellurite crystal
Kotov, V. M.; Averin, S. V.; Voronko, A. I.; Kotov, E. V.; Tikhomirov, S. A.
2017-07-01
Triple Bragg diffraction in a paratellurite crystal has been considered for the case when the plane of diffraction is oblique to the optical axis of the crystal. It has been shown that effective photoelastic constants for isotropic and anisotropic diffraction depend on the inclination of the plane of diffraction insignificantly. Triple Bragg diffraction of 0.63-μm coherent radiation in paratellurite at a 47.3-MHz slow acoustic wave has been experimentally demonstrated. For an optical power of 0.69 W delivered to a piezoconverter, the relative intensities of diffraction orders equal 0.4, 0.4, 0.1, and 0.1, respectively.
Physics issues in diffraction limited storage ring design
FAN Wei; BAI ZhengHe; GAO WeiWei; FENG GuangYao; LI WeiMin; WANG Lin; HE DuoHui
2012-01-01
Diffraction limited electron storage ring is considered a promising candidate for future light sources,whose main characteristics are higher brilliance,better transverse coherence and better stability.The challenge of diffraction limited storage ring design is how to achieve the ultra low beam emittance with acceptable nonlinear performance.Effective linear and nonlinear parameter optimization methods based on Artificial Intelligence were developed for the storage ring physical design.As an example of application,partial physical design of HALS (Hefei Advanced Light Source),which is a diffraction limited VUV and soft X-ray light source,was introduced.Severe emittance growth due to the Intra Beam Scattering effect,which is the main obstacle to achieve ultra low emittance,was estimated quantitatively and possible cures were discussed.It is inspiring that better performance of diffraction limited storage ring can be achieved in principle with careful parameter optimization.
Physics issues in diffraction limited storage ring design
Fan, Wei; Bai, ZhengHe; Gao, WeiWei; Feng, GuangYao; Li, WeiMin; Wang, Lin; He, DuoHui
2012-05-01
Diffraction limited electron storage ring is considered a promising candidate for future light sources, whose main characteristics are higher brilliance, better transverse coherence and better stability. The challenge of diffraction limited storage ring design is how to achieve the ultra low beam emittance with acceptable nonlinear performance. Effective linear and nonlinear parameter optimization methods based on Artificial Intelligence were developed for the storage ring physical design. As an example of application, partial physical design of HALS (Hefei Advanced Light Source), which is a diffraction limited VUV and soft X-ray light source, was introduced. Severe emittance growth due to the Intra Beam Scattering effect, which is the main obstacle to achieve ultra low emittance, was estimated quantitatively and possible cures were discussed. It is inspiring that better performance of diffraction limited storage ring can be achieved in principle with careful parameter optimization.
Modeling of microelectromechanical systems deformable mirror diffraction grating
Sirbu, Dan; Pluzhnik, Eugene; Belikov, Ruslan
2016-07-01
Model-based wavefront control methods such as electric field conjugation require accurate optical propagation models to create high-contrast regions in the focal plane using deformable mirrors (DMs). Recently, it has been shown that it is possible to exceed the controllable outer-working angle imposed by the Nyquist limit based on the number of actuators by utilizing a diffraction grating. The print-through pattern on MEMS-based DMs formed during the fabrication process creates both an amplitude and a phase diffraction grating that can be used to enable Super-Nyquist wavefront control. Using interferometric measurements of a DM-actuator, we develop a DM-diffraction grating model. We compare the total energy enclosed in the first diffraction order due to the phase, amplitude, and combined phase-amplitude gratings with laboratory measurements.
Wagner B. De Almeida
2000-10-01
Full Text Available The determination of the molecular structure of molecules is of fundamental importance in chemistry. X-rays and electron diffraction methods constitute in important tools for the elucidation of the molecular structure of systems in the solid state and gas phase, respectively. The use of quantum mechanical molecular orbital ab initio methods offer an alternative for conformational analysis studies. Comparison between theoretical results and those obtained experimentally in the gas phase can make a significant contribution for an unambiguous determination of the geometrical parameters. In this article the determination of the molecular structure of the cyclooctane molecule by electron diffraction in the gas phase and ab initio calculations will be addressed, providing an example of a comparative analysis of theoretical and experimental predictions.
Imaging molecular structure with photoelectron diffraction
Boll, Rebecca
2014-07-02
The possibility to study the structure of polyatomic gas-phase molecules by photoelectron diffraction is investigated with the goal of developing a method capable of imaging ultrafast photochemical reactions with femtosecond temporal and sub-Angstroem spatial resolution. The fluorine 1s-level of adiabatically laser-aligned 1-ethynyl-4-fluorobenzene (C{sub 8}H{sub 5}F) molecules was ionized by X-ray pulses from the Linac Coherent Light Source Free-Electron Laser, and the angular distributions of photoelectrons with kinetic energies between 30 and 60 eV were recorded by velocity map imaging. Comparison with density functional theory calculations allows relating the measured distributions to the molecular structure. The results of an IR-pump, X-ray-probe experiment on aligned 1,4-dibromobenzene (C{sub 6}H{sub 4}Br{sub 2})molecules are presented to explore the potential of photoelectron diffraction for time-resolved imaging. The influence of the alignment laser pulse on the pumping and probing step is discussed. Laser-alignment is contrasted with determination of the molecular orientation by photoelectron-photoion coincidences for an exemplary data set on 1-ethynyl-4-fluorobenzene molecules recorded at the PETRA III synchrotron. Both methods are evaluated with respect to their applicability to record time-dependent snapshots of molecular structure. The results obtained in this work indicate possible future avenues for investigating ultrafast molecular dynamics using X-ray Free-Electron Lasers.
Diffraction structural biology – a new horizon
Yamane, Takashi [Nagoya Industrial Science Research Institute, 1-13 Yotsuya-dori, Chikusa-ku, Nagoya 464-0819 (Japan); Helliwell, John R. [University of Manchester, Manchester M13 9PL (United Kingdom); Johnson, John E. [Scripps Research Institute, San Diego, CA (United States); Yasuoka, Noritake, E-mail: nori-yasuoka@nifty.com [AIST Kansai Center, 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Sakabe, Noriyoshi [Photon Factory, KEK, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)
2013-11-01
An introductory overview to the special issue papers on diffraction structural biology in this issue of the journal. An introductory overview to the special issue papers on diffraction structural biology in this issue of the journal.
50 years of fiber diffraction.
Holmes, Kenneth C
2010-05-01
In 1955 Ken Holmes started working on tobacco mosaic virus (TMV) as a research student with Rosalind Franklin at Birkbeck College, London. Afterward he spent 18months as a post doc with Don Caspar and Carolyn Cohen at the Children's Hospital, Boston where he continued the work on TMV and also showed that the core of the thick filament of byssus retractor muscle from mussels is made of two-stranded alpha-helical coiled-coils. Returning to England he joined Aaron Klug's group at the newly founded Laboratory of Molecular Biology in Cambridge. Besides continuing the TMV studies, which were aimed at calculating the three-dimensional density map of the virus, he collaborated with Pringle's group in Oxford to show that two conformation of the myosin cross-bridge could be identified in insect flight muscle. In 1968 he opened the biophysics department at the Max Planck Institute for Medical Research in Heidelberg, Germany. With Gerd Rosenbaum he initiated the use of synchrotron radiation as a source for X-ray diffraction. In his lab the TMV structure was pushed to 4A resolution and showed how the RNA binds to the protein. With his co-workers he solved the structure of g-actin as a crystalline complex and then solved the structure of the f-actin filament by orientating the g-actin structure so as to give the f-actin fiber diffraction pattern. He was also able to solve the structure of the complex of actin with tropomyosin from fiber diffraction.
Diffractive Production of the Higgs Boson
Peschanski, R
2003-01-01
Diffractive production of the Higgs boson at hadron colliders is discussed in the light of the observed rate of hard diffractive dijet events at the Tevatron. The Higgs predictions of models successful for dijets are compared. LHC seems promising for a diffractive light Higgs boson and its mass determination. Hard diffractive dijets, diphotons and dileptons at the Tevatron (Run II) will be necessary to remove the remaining large uncertainties on cross-sections and signals.
谭鑫; 刘颖; 刘正坤; 付绍军
2009-01-01
We present new progress in the diffraction grating interferometer being pre-aligned used a double frequency grating. To measure the parallelism of the double frequency grating to a nicety before built in the interferometer, a device based on Diffraction Technique for measuring the parallelism of the double frequency grating is designed. It is built of a semiconductor laser, a collimator, gratings, a preci-sion tumplate, a beeline workbench, a redressal shelves, a ccd detector. The system error of the device is analyzed in this paper, and the parallelism of the double frequency grating is measured by this device. The results demonstrate that the diffraction measuring device suits the parallelism measured the diffraction grat-ing interferometer based on the double frequency grating of that parallelism can attain a high pre-aligning precision.%介绍了软X射线光栅分束镜Mach-Zehnder干涉等离子体诊断系统调整用双频光栅线条平行度的衍射法测量系统.该系统主要由激光器,准直镜,待测光栅,精密转台(含角度测量仪),直线工作台,光栅调节架和探测器组成.分析了系统中各种误差对测量精度的影响其中包括距离测量误差、波长误差、光栅准直误差即光栅刻线与入射光和反射光组成的平面不垂直、光栅转动过程的误差、光栅表面面型误差、探测器误差,经计算得到系统的绝对误差为minute.计算表明,该系统的测量精度满足软X射线Mach-Zehnder干涉系统对双频调整光栅的性能要求.
Workshop on industrial application of neutron diffraction. Stress measurement by neutron diffraction
Minakawa, N; Morii, Y; Oyama, Y
2002-01-01
This workshop was planned to make use of the neutron from the reactor and the pulse neutron source JSNS for the industrial world. Especially, this workshop focused on the stress measurement by the neutron diffraction and it was held on the Tokai JAERI from October 15 to 16, 2001. The participant total was 93 and 40 participated from the industrial world. The introduction of the residual stress development of measurement technique by the neutron diffraction method and a research of the measurement of the residual stress such as the nuclear reactor material, the ordinary structure material, the composite material, the quenching steel, the high strength material were presented and discussed in this workshop. Moreover, it was introduced for the industrial world that an internal stress measurement is important for development of new product or an improvement of a manufacturing process. The question from the industrial world about which can be measured the product form, the size, the measurement precision, the reso...
Undergraduate Experiment with Fractal Diffraction Gratings
Monsoriu, Juan A.; Furlan, Walter D.; Pons, Amparo; Barreiro, Juan C.; Gimenez, Marcos H.
2011-01-01
We present a simple diffraction experiment with fractal gratings based on the triadic Cantor set. Diffraction by fractals is proposed as a motivating strategy for students of optics in the potential applications of optical processing. Fraunhofer diffraction patterns are obtained using standard equipment present in most undergraduate physics…
Classification using diffraction patterns for single-particle analysis
Hu, Hongli; Zhang, Kaiming [Department of Biophysics, the Health Science Centre, Peking University, Beijing 100191 (China); Meng, Xing, E-mail: xmeng101@gmail.com [Wadsworth Centre, New York State Department of Health, Albany, New York 12201 (United States)
2016-05-15
An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.
Neutron diffraction of unidirectional fiber-composites
Ochiai, Shojiro; Hojo, Masaki; Iwasaki, Naoya; Sawada, Takehiro; Inoue, Takashi; Tanaka, Mototsugu; Okumura, Ikuo; Ono, Masayoshi [Kyoto Univ. (Japan)
1997-06-01
Nb-Ti/Cu and Nb{sub 3}Al/Cu superconductive fiber-composites were studied by a neutron diffraction method. The results obtained showed that the aggregate structures were formed in the direction of <100> and <111> for copper and <110> for Nb-Ti filament. Nb{sub 3}Al grew up to the radius direction and formed the side face (210). Residual strain and stress of Cu in Nb-Ti/Cu and Nb{sub 3}Al/Cu composite were measured by TOF and PSD method. The value before smoothing treatment was 96 MPa, but the value after smoothing treatment became 40 MPa, near estimated value. (S.Y.)
Virtual input device with diffractive optical element
Wu, Ching Chin; Chu, Chang Sheng
2005-02-01
As a portable device, such as PDA and cell phone, a small size build in virtual input device is more convenient for complex input demand. A few years ago, a creative idea called 'virtual keyboard' is announced, but up to now there's still no mass production method for this idea. In this paper we'll show the whole procedure of making a virtual keyboard. First of all is the HOE (Holographic Optical Element) design of keyboard image which yields a fan angle about 30 degrees, and then use the electron forming method to copy this pattern in high precision. And finally we can product this element by inject molding. With an adaptive lens design we can get a well correct keyboard image in distortion and a wilder fan angle about 70 degrees. With a batter alignment of HOE pattern lithography, we"re sure to get higher diffraction efficiency.
Quantum vortices and trajectories in particle diffraction
Delis, N; Contopoulos, G
2011-01-01
We investigate the phenomenon of the diffraction of charged particles by thin material targets using the method of the de Broglie-Bohm quantum trajectories. The particle wave function can be modeled as a sum of two terms $\\psi=\\psi_{ingoing}+\\psi_{outgoing}$. A thin separator exists between the domains of prevalence of the ingoing and outgoing wavefunction terms. The structure of the quantum-mechanical currents in the neighborhood of the separator implies the formation of an array of \\emph{quantum vortices}. The flow structure around each vortex displays a characteristic pattern called `nodal point - X point complex'. The X point gives rise to stable and unstable manifolds. We find the scaling laws characterizing a nodal point-X point complex by a local perturbation theory around the nodal point. We then analyze the dynamical role of vortices in the emergence of the diffraction pattern. In particular, we demonstrate the abrupt deflections, along the direction of the unstable manifold, of the quantum trajector...
Crystal diffraction lens for medical imaging
Smither, Robert K.; Roa, Dante E.
2000-04-01
A crystal diffraction lens for focusing energetic gamma rays has been developed at Argonne National Laboratory for use in medical imaging of radioactivity in the human body. A common method for locating possible cancerous growths in the body is to inject radioactivity into the blood stream of the patient and then look for any concentration of radioactivity that could be associated with the fast growing cancer cells. Often there are borderline indications of possible cancers that could be due to statistical functions in the measured counting rates. In order to determine if these indications are false or real, one must resort to surgical means and take tissue samples in the suspect area. We are developing a system of crystal diffraction lenses that will be incorporated into a 3- D imaging system with better sensitivity (factors of 10 to 20) and better spatial resolution (a few mm in both vertical and horizontal directions) than most systems presently in use. The use of this new imaging system will allow one to eliminate 90 percent of the false indications and both locate and determine the size of the cancer with mm precision. The lens consists of 900 single crystals of copper, 4 mm X 4 mm on a side and 2 - 4 mm thick, mounted in 13 concentric rings.
Skinner, Gerald K.
2010-01-01
Diffractive X-ray telescopes, using zone plates, phase Fresnel lenses, or related optical elements have the potential to provide astronomers with true imaging capability with resolution many orders of magnitude better than available in any other waveband. Lenses that would be relatively easy to fabricate could have an angular resolution of the order of micro-arc-seconds or even better, that would allow, for example, imaging of the distorted spacetime in the immediate vicinity of the super-massive black holes in the center of active galaxies. What then is precluding their immediate adoption? Extremely long focal lengths, very limited bandwidth, and difficulty stabilizing the image are the main problems. The history, and status of the development of such lenses is reviewed here and the prospects for managing the challenges that they present are discussed.
Skinner, Gerald K
2010-01-01
Diffractive X-ray telescopes using zone plates, phase Fresnel lenses, or related optical elements have the potential to provide astronomers with true imaging capability with resolution several orders of magnitude better than available in any other waveband. Lenses that would be relatively easy to fabricate could have an angular resolution of the order of micro-arc-seconds or even better, that would allow, for example, imaging of the distorted space- time in the immediate vicinity of the super-massive black holes in the center of active galaxies What then is precluding their immediate adoption? Extremely long focal lengths, very limited bandwidth, and difficulty stabilizing the image are the main problems. The history, and status of the development of such lenses is reviewed here and the prospects for managing the challenges that they present are discussed.
Ludwig, W.; Reischig, P.; King, A.
2009-01-01
X-ray diffraction contrast tomography (DCT) is a technique for mapping grain shape and orientation in plastically undeformed polycrystals. In this paper, we describe a modified DCT data acquisition strategy which permits the incorporation of an innovative Friedel pair method for analyzing...... diffraction data. Diffraction spots are acquired during a 360 degrees rotation of the sample and are analyzed in terms of the Friedel pairs ((hkl) and (hkl) reflections, observed 180 degrees apart in rotation). The resulting increase in the accuracy with which the diffraction vectors are determined allows...
Efficient IR Transmission Diffraction Grating for Circularly Polarized Light
Cole, Helen; Chambers, Diana
1999-01-01
Numerical methods, using rigorous coupled wave theory, are used to design rectangular relief diffraction gratings for an infrared application which requires comparable first order efficiencies in the TE and TM polarization states. The depth, period, and fill factor of the grating are varied to identify optimal two level binary lamellar grating profiles which predict efficiencies for individual TM and TE polarizations above 75 percent, while keeping the difference between the two efficiencies within 10 percent. The application at hand is a rotating, transmissive diffractive scanner for space-based coherent lidar. The operating wavelength is 2.0 microns. A collimated, circularly polarized beam is incident on the diffractive scanner at the Bragg angle; 30 and 45 degree beam deflection angles being studied. Fused silica is the substrate material of choice. Selected designs are fabricated on 3 inch fused silica substrates using lithographic methods. The performance of the test pieces is measured and compared to theoretical predictions.
Classification using diffraction patterns for single-particle analysis.
Hu, Hongli; Zhang, Kaiming; Meng, Xing
2016-05-01
An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties.
Incoherent Diffractive Imaging via Intensity Correlations of Hard X Rays
Classen, Anton; Ayyer, Kartik; Chapman, Henry N.; Röhlsberger, Ralf; von Zanthier, Joachim
2017-08-01
Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures, or even single molecules. While these techniques rely on coherent scattering, incoherent processes like fluorescence emission—often the predominant scattering mechanism—are generally considered detrimental for imaging applications. Here, we show that intensity correlations of incoherently scattered x-ray radiation can be used to image the full 3D arrangement of the scattering atoms with significantly higher resolution compared to conventional coherent diffraction imaging and crystallography, including additional three-dimensional information in Fourier space for a single sample orientation. We present a number of properties of incoherent diffractive imaging that are conceptually superior to those of coherent methods.
Coherent X-ray diffraction studies of mesoscopic materials
Shabalin, Anatoly
2015-12-15
This thesis is devoted to three separate projects, which can be considered as independent. First, the dynamical scattering effects in the Coherent X-ray Diffractive Imaging (CXDI) method are discussed. Based on the simulation results, a straightforward method for correction for the refraction and absorption artifacts in the Bragg CXDI reconstruction is suggested. The second part summarizes the results of an Coherent X-ray Diffractive Imaging experiment with a single colloidal crystal grain. A remarkable result is that positions of individual particles in the crystal lattice have been resolved in three dimensions. The third project is devoted to X-ray diffraction experimental studies of structural evolution of colloidal crystalline films upon incremental heating. Based on the results of the analysis a model of structural evolution of a colloidal crystal upon heating on nanoscopic and mesoscopic length scales is suggested.
3DXRD microscopy - a comparison with neutron diffraction
Poulsen, H F
2002-01-01
3DXRD microscopy is a novel tool for fast and non-destructive characterisation of the individual grains and sub-grains inside bulk materials (powders or polycrystals). The method is based on diffraction with hard X-rays (E>50 keV), enabling 3D studies of millimeter to centimeter-thick specimens. The position, volume, orientation, and elastic strain can be determined in hundreds of grains simultaneously. Furthermore, the evolution of the plastic strain can be characterised from grain rotations. Likewise, for coarse-grained materials, the topography of the grain boundaries can be mapped. The status of the technique is presented and the potential for in situ processing studies illustrated. The hard-X-ray method is compared to conventional neutron-diffraction techniques: texture and strain measurements, small-angle scattering, and in situ powder diffraction. (orig.)
Generalized diffraction-stack migration and filtering of coherent noise
Zhan, Ge
2014-01-27
We reformulate the equation of reverse-time migration so that it can be interpreted as summing data along a series of hyperbola-like curves, each one representing a different type of event such as a reflection or multiple. This is a generalization of the familiar diffraction-stack migration algorithm where the migration image at a point is computed by the sum of trace amplitudes along an appropriate hyperbola-like curve. Instead of summing along the curve associated with the primary reflection, the sum is over all scattering events and so this method is named generalized diffraction-stack migration. This formulation leads to filters that can be applied to the generalized diffraction-stack migration operator to mitigate coherent migration artefacts due to, e.g., crosstalk and aliasing. Results with both synthetic and field data show that generalized diffraction-stack migration images have fewer artefacts than those computed by the standard reverse-time migration algorithm. The main drawback is that generalized diffraction-stack migration is much more memory intensive and I/O limited than the standard reverse-time migration method. © 2014 European Association of Geoscientists & Engineers.
Enhancing core-diffracted arrivals by supervirtual interferometry
Bharadwaj, P.
2013-12-03
A supervirtual interferometry (SVI) method is presented that can enhance the signal-to-noise ratio (SNR) of core diffracted waveforms by as much as O( √ N), where N is the number of inline receivers that record the core-mantle boundary (CMB) diffractions from more than one event. Here, the events are chosen to be approximately inline with the receivers along the same great circle. Results with synthetic and teleseismic data recorded by USArray stations demonstrate that formerly unusable records with low SNR can be transformed to high SNR records with clearly visible CMB diffractions. Another benefit is that SVI allows for the recording of a virtual earthquake at stations not deployed during the time of the earthquake. This means that portable arrays such as USArray can extend the aperture of one recorded earthquake from the West coast to the East coast, even though the teleseism might have only been recorded during theWest coast deployment. In summary, SVI applied to teleseismic data can significantly enlarge the catalogue of usable records both in SNR and available aperture for analysing CMB diffractions. A potential drawback of this method is that it generally provides the correct kinematics of CMB diffractions, but does not necessarily preserve correct amplitude information. © The Authors 2013. Published by Oxford University Press on behalf of The Royal Astronomical Society.
Contribution to diffraction theory; Contribution a la theorie de la diffraction
Chako, N. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1966-11-01
method of stationary phase. A complete mathematical treatment of this method of evaluating multiple integrals containing a large parameter will be found in our second thesis, including applications. Finally, we have given a detailed development of the diffraction theory of corpuscular waves by an electron optical system, satisfying a Schroedinger equation. (author) [French] Dans une premiere partie nous presentons un expose general de la theorie moderne de la diffraction. La theorie rigoureuse est formulee a partir de l'equation d'onde scalaire et aussi des equations de Maxwell, comme un probleme aux valeurs limites. Cependant, un tel programme n'a pas encore ete realise jusqu'a present, meme pour les plus simples des systemes optiques, a cause de la complexite de ces conditions aux limites. Les developpements recents montrent clairement le caractere approximatif des theories classiques de Fresnel et Young, formulees rigoureusement par Kircnhoff et Rubinowicz. Elles montrent aussi l'insuffisance de ces theories, pour expliquer un certain nombre de phenomenes de diffraction. Nous avons fait l'etude de ces differentes theories approximatives, y compris une tentative recente, pour les ameliorer et nous en avons montre les limites. La deuxieme partie contient une analyse mathematique generale de la diffraction des aberrations. Apres un expose des aberrations geometriques et ondulatoires selon les developpements classiques et modernes (Nijboer), les integrales representant le champ dans l'espace image, ont ete evaluees. Les formules obtenues generalisent tous les resultats des chercheurs anterieurs. Pour la comparer avec la theorie de Zernike-Nijboer, nous avons developpe et generalise notre theorie dans le cas des ouvertures non-circulaires et pour des systemes optiques qui ne sont pas de revolution. La fonction d'aberration est developpee en polyn es orthogonaux sur l'ouverture de la pupille de sortie. La fonction d'image a
X-Ray Diffraction and the Discovery of the Structure of DNA
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…
X-Ray Diffraction and the Discovery of the Structure of DNA
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…
S. Calixto
2007-08-01
Full Text Available A simple method to fabricate infrared (λ = 10.6 μm diffractive optical elements that work in a transmissionmode is presented. A laser-writing instrument completely under computer control has been built todemonstrate the feasibility of this method. Several diffractive elements, fabricated using the laser-writinginstrument, are described.
Hard diffraction with dynamic gap survival
Rasmussen, Christine O.; Sjöstrand, Torbjörn
2016-02-01
We present a new framework for the modelling of hard diffraction in pp and poverline{p} collisions. It starts from the the approach pioneered by Ingelman and Schlein, wherein the single diffractive cross section is factorized into a Pomeron flux and a Pomeron PDF. To this it adds a dynamically calculated rapidity gap survival factor, derived from the modelling of multiparton interactions. This factor is not relevant for diffraction in ep collisions, giving non-universality between HERA and Tevatron diffractive event rates. The model has been implemented in P ythia 8 and provides a complete description of the hadronic state associated with any hard single diffractive process. Comparisons with poverline{p} and pp data reveal improvement in the description of single diffractive events.
Hard Diffraction with Dynamic Gap Survival
Rasmussen, Christine O
2015-01-01
We present a new framework for the modelling of hard diffraction in pp and ppbar collisions. It starts from the the approach pioneered by Ingelman and Schlein, wherein the single diffractive cross section is factorized into a Pomeron flux and a Pomeron PDF. To this it adds a dynamically calculated rapidity gap survival factor, derived from the modelling of multiparton interactions. This factor is not relevant for diffraction in ep collisions, giving non-universality between HERA and Tevatron diffractive event rates. The model has been implemented in Pythia 8 and provides a complete description of the hadronic state associated with any hard single diffractive process. Comparisons with ppbar and pp data reveal improvement in the description of single diffractive events.
Niu Chun-Hui; Li Zhi-Yuan; Ye Jia-Sheng; Gu Ben-Yuan
2005-01-01
Scalar diffraction theory, although simple and efficient, is too rough for analysing diffractive micro-optical elements.Rigorous vectorial diffraction theory requires extensive numerical efforts, and is not a convenient design tool. In this paper we employ a simple approximate vectorial diffraction model which combines the principle of the scalar diffraction theory with an approximate local field model to analyse the diffraction of optical waves by some typical two-dimensional diffractive micro-optical elements. The TE and TM polarization modes are both considered. We have found that the approximate vectorial diffraction model can agree much better with the rigorous electromagnetic simulation results than the scalar diffraction theory for these micro-optical elements.
Poon, H C; Saldin, D K
2011-06-01
We amplify on the principles of the method we have recently proposed for recovering an oversampled diffraction pattern of a single particle from measured diffraction patterns from multiple particles in orientations related by rotation about an axis parallel to the incident radiation. We propose an alternative method of phasing a reference resolution ring by means of a non-negativity constraint on the diffraction intensities, point out the need for caution about enantiomeric ambiguities in the reconstruction of a diffraction pattern from its angular correlations, and show that converged correlations may be deduced by appropriate averaging of even very noisy data. Copyright © 2010 Elsevier B.V. All rights reserved.
YANG Ming-yang; ZHOU Jun; L Petti; S De Nicola; P Mormile
2011-01-01
We report a numerical method to analyze the fractal characteristics of far-field diffraction patterns for two-dimensional Thue-Morse(2-D TM) structures.The far-field diffraction patterns of the 2-D TM structures can be obtained by the numerical method,and they have a good agreement with the experimental ones.The analysis shows that the fractal characteristics of far-field diffraction patterns for the 2-D TM structures are determined by the inflation rule,which have potential applications in the design of optical diffraction devices.
High-energy electron diffraction and microscopy
Peng, L M; Whelan, M J
2011-01-01
This book provides a comprehensive introduction to high energy electron diffraction and elastic and inelastic scattering of high energy electrons, with particular emphasis on applications to modern electron microscopy. Starting from a survey of fundamental phenomena, the authors introduce the most important concepts underlying modern understanding of high energy electron diffraction. Dynamical diffraction in transmission (THEED) and reflection (RHEED) geometries is treated using ageneral matrix theory, where computer programs and worked examples are provided to illustrate the concepts and to f
CMS results on soft and hard diffraction
Obertino, Margherita Maria
2016-01-01
The measurement of the soft diffractive cross sections in single- and double-diffractive final states is presented at 7 TeV. Furthermore, also the production of jet-gap-get final states is discussed and the results are interpreted in terms of a hard color singlet exchange. Finally, general features of particle production in single-diffractive enhanced events are shown at 13 TeV.
Spectral Anomalies in the Fraunhofer Diffraction Pattern
PU Ji-Xiong; CAI Chao; HU Xian-Dai; LIU Xiao-Yun
2005-01-01
@@ We study the spectral characteristics theoretically and experimentally in the Fraunhofer diffraction pattern formed by the diffraction of a spatially coherent, polychromatic light through a slit. It is found that the spectrum in some diffraction directions close to the singular direction is redshifted, compared to the spectrum of the incident polychromatic light, and blueshifted in other directions, and splits into two lines at the singular direction. We show that the experimental results are consistent with the theoretical expectations.
Theory of edge diffraction in electromagnetics
Ufimtsev, Pyotr
2009-01-01
This book is an essential resource for researchers involved in designing antennas and RCS calculations. It is also useful for students studying high frequency diffraction techniques. It contains basic original ideas of the Physical Theory of Diffraction (PTD), examples of its practical application, and its validation by the mathematical theory of diffraction. The derived analytic expressions are convenient for numerical calculations and clearly illustrate the physical structure of the scattered field.
Sub-wavelength diffractive optics
Warren, M.E.; Wendt, J.R.; Vawter, G.A.
1998-03-01
This report represents the completion of a three-year Laboratory-Directed Research and Development (LDRD) program to investigate sub-wavelength surface relief structures fabricated by direct-write e-beam technology as unique and very high-efficiency optical elements. A semiconductor layer with sub-wavelength sized etched openings or features can be considered as a layer with an effective index of refraction determined by the fraction of the surface filled with semiconductor relative to the fraction filled with air or other material. Such as a layer can be used to implement planar gradient-index lenses on a surface. Additionally, the nanometer-scale surface structures have diffractive properties that allow the direct manipulation of polarization and altering of the reflective properties of surfaces. With this technology a single direct-write mask and etch can be used to integrate a wide variety of optical functions into a device surface with high efficiencies; allowing for example, direct integration of polarizing optics into the surface with high efficiencies; allowing for example, direct integration of polarizing optics into the surfaces of devices, forming anti-reflection surfaces or fabricating high-efficiency, high-numerical aperture lenses, including integration inside vertical semiconductor laser cavities.
Soil texture analysis by laser diffraction - standardization and awareness needed
Callesen, Ingeborg; Palviainen, M.; Kjønaas, O. Janne
Soil texture is a central soil quality property. Laser diffraction (LD) for determination of particle size distribution (PSD) is now widespread due to easy analysis and low cost. However, pretreatment methods and interpretation of the resulting soil PSD’s are not standardized. Comparison of LD data...
Neutron diffraction test on spin-dependent short range interaction
Voronin, V V
2008-01-01
In this short note we discuss the possibility to get the constraint on the parameters of short range pseudomagnetic interaction of free neutron with matter from the crystal-diffraction experiment. It is demonstrated that for range of $\\lambda<10^{-6}$m this constraint can be a few order better than in any other method.
Computer Simulation and X-ray Diffraction of Nanocrystals
无
2001-01-01
X-ray diffraction of structure in nanocrystalline α-Fe and Cu was studied by atomistic simulation. Atomic position equilibrium was reached by using molecular dynamics method to simulate nanocrystalline structure with Finnis potentials to model interatomic interactions. lt was found that the boundary component exhibits short-range order, and the distortion in crystalline component increases with the decrease of grain size.
Diffractive lenses recorded in absorbent photopolymers.
Fernández, R; Gallego, S; Márquez, A; Francés, J; Navarro-Fuster, V; Pascual, I
2016-01-25
Photopolymers can be appealing materials for diffractive optical elements fabrication. In this paper, we present the recording of diffractive lenses in PVA/AA (Polyvinyl alcohol acrylamide) based photopolymers using a liquid crystal device as a master. In addition, we study the viability of using a diffusion model to simulate the lens formation in the material and to study the influence of the different parameters that govern the diffractive formation in photopolymers. Once we control the influence of each parameter, we can fit an optimum recording schedule to record each different diffractive optical element with the optimum focalization power.
Optical diffraction by ordered 2D arrays of silica microspheres
Shcherbakov, A. A.; Shavdina, O.; Tishchenko, A. V.; Veillas, C.; Verrier, I.; Dellea, O.; Jourlin, Y.
2017-03-01
The article presents experimental and theoretical studies of angular dependent diffraction properties of 2D monolayer arrays of silica microspheres. High-quality large area defect-free monolayers of 1 μm diameter silica microspheres were deposited by the Langmuir-Blodgett technique under an accurate optical control. Measured angular dependencies of zeroth and one of the first order diffraction efficiencies produced by deposited samples were simulated by the rigorous Generalized Source Method taking into account particle size dispersion and lattice nonideality.
Diffractive devices based on blue phase liquid crystals
Li, Yan; Huang, Shuaijia; Su, Yikai
2016-09-01
Blue phase liquid crystal (BPLC) has been attractive for display and photonic applications for its sub-millisecond response time, no need for surface alignment, and an optically isotropic dark state. Because of these advantages, diffractive devices based on blue phase liquid crystals have great potential for wide applications. In this work, we present several BPLC diffractive devices. The operation principles, fabrication and experimental measurements will be discussed in details for two BPLC gratings realized by holographic method and a BPLC Fresnel lens using a spatial light modulator projector. All of these devices exhibit several attractive features such as sub-millisecond response, relatively high spatial resolution and polarization-independence.
Coherence Time Resolvable Diffraction and New Tunnelling Electronics
易林
2002-01-01
With the help of the perturbation method and the Feynman path integral technique, we analytically demonstrate that, when the electronic spectrum of a mesoscopic box is measured through two connecting leads, there exists a class of new diffraction phenomena in the coherence time domain, based on the new coherent tunnelling model.It is shown that the new diffraction effect determines the minimal resolvable coherence time to the Heisenberg limit. In particular, Fraunhofer optical phenomena, such as missing order and grating effects, can be reproduced in the meso-systems. The predicted periodic oscillations as a function of voltage are in excellent agreement with experimental observations.
Gaussian beam diffraction in weakly anisotropic inhomogeneous media
Kravtsov, Yu.A., E-mail: kravtsov@am.szczecin.p [Institute of Physics, Maritime University of Szczecin, Szczecin 70-500 (Poland); Space Research Institute, Russian Academy of Science, Moscow 117 997 (Russian Federation); Berczynski, P., E-mail: pawel.berczynski@ps.p [Institute of Physics, West Pomeranian University of Technology, Szczecin 70-310 (Poland); Bieg, B., E-mail: b.bieg@am.szczecin.p [Institute of Physics, Maritime University of Szczecin, Szczecin 70-500 (Poland)
2009-08-10
Combination of quasi-isotropic approximation (QIA) of geometric optics with paraxial complex geometric optics (PCGO) is suggested, which allows describing both diffraction and polarization evolution of Gaussian electromagnetic beams in weakly anisotropic inhomogeneous media. Combination QIA/PCGO reduces Maxwell equations to the system of the ordinary differential equations of the first order and radically simplifies solution of various problems, related to microwave plasma diagnostics, including plasma polarimetry, interferometry and refractometry in thermonuclear reactors. Efficiency of the method is demonstrated by the example of electromagnetic beam diffraction in a linear layer of magnetized plasma with parameters, modeling tokamak plasma in the project ITER.
Quantum-information approach to dynamical diffraction theory
Nsofini, J.; Ghofrani, K.; Sarenac, D.; Cory, D. G.; Pushin, D. A.
2016-12-01
We present a simplified model for dynamical diffraction of particles through a periodic thick perfect crystal based on repeated application of a coherent beam-splitting unitary at coarse-grained lattice sites. By demanding translational invariance and a computationally tractable number of sites in the coarse graining, we show how this approach reproduces many results typical of dynamical diffraction theory and experiments. This approach has the benefit of being applicable in the thick, thin, and intermediate crystal regimes. The method is applied to a three-blade neutron interferometer to predict the output beam profiles, interference patterns, and contrast variation.
Diffraction Interference Induced Superfocusing in Nonlinear Talbot Effect
Liu, Dongmei; Zhang, Yong; Wen, Jianming; Chen, Zhenhua; Wei, Dunzhao; Hu, Xiaopeng; Zhao, Gang; Zhu, S. N.; Xiao, Min
2014-08-01
We report a simple, novel subdiffraction method, i.e. diffraction interference induced superfocusing in second-harmonic (SH) Talbot effect, to achieve focusing size of less than λSH/4 (or λpump/8) without involving evanescent waves or subwavelength apertures. By tailoring point spread functions with Fresnel diffraction interference, we observe periodic SH subdiffracted spots over a hundred of micrometers away from the sample. Our demonstration is the first experimental realization of the Toraldo di Francia's proposal pioneered 62 years ago for superresolution imaging.
Diffraction Gratings for High-Intensity Laser Applications
Britten, J
2008-01-23
The scattering of light into wavelength-dependent discrete directions (orders) by a device exhibiting a periodic modulation of a physical attribute on a spatial scale similar to the wavelength of light has been the subject of study for over 200 years. Such a device is called a diffraction grating. Practical applications of diffraction gratings, mainly for spectroscopy, have been around for over 100 years. The importance of diffraction gratings in spectroscopy for the measurement of myriad properties of matter can hardly be overestimated. Since the advent of coherent light sources (lasers) in the 1960's, applications of diffraction gratings in spectroscopy have further exploded. Lasers have opened a vast application space for gratings, and apace, gratings have enabled entirely new classes of laser systems. Excellent reviews of the history, fundamental properties, applications and manufacturing techniques of diffraction gratings up to the time of their publication can be found in the books by Hutley (1) and more recently Loewen and Popov (2). The limited scope of this chapter can hardly do justice to such a comprehensive subject, so the focus here will be narrowly limited to characteristics required for gratings suitable for high-power laser applications, and methods to fabricate them. A particular area of emphasis will be on maximally-efficient large-aperture gratings for short-pulse laser generation.
Wavefront aberrations of x-ray dynamical diffraction beams.
Liao, Keliang; Hong, Youli; Sheng, Weifan
2014-10-01
The effects of dynamical diffraction in x-ray diffractive optics with large numerical aperture render the wavefront aberrations difficult to describe using the aberration polynomials, yet knowledge of them plays an important role in a vast variety of scientific problems ranging from optical testing to adaptive optics. Although the diffraction theory of optical aberrations was established decades ago, its application in the area of x-ray dynamical diffraction theory (DDT) is still lacking. Here, we conduct a theoretical study on the aberration properties of x-ray dynamical diffraction beams. By treating the modulus of the complex envelope as the amplitude weight function in the orthogonalization procedure, we generalize the nonrecursive matrix method for the determination of orthonormal aberration polynomials, wherein Zernike DDT and Legendre DDT polynomials are proposed. As an example, we investigate the aberration evolution inside a tilted multilayer Laue lens. The corresponding Legendre DDT polynomials are obtained numerically, which represent balanced aberrations yielding minimum variance of the classical aberrations of an anamorphic optical system. The balancing of classical aberrations and their standard deviations are discussed. We also present the Strehl ratio of the primary and secondary balanced aberrations.
Optical diffraction for measurements of nano-mechanical bending
Hermans, Rodolfo I.; Dueck, Benjamin; Ndieyira, Joseph Wafula; McKendry, Rachel A.; Aeppli, Gabriel
2016-06-01
We explore and exploit diffraction effects that have been previously neglected when modelling optical measurement techniques for the bending of micro-mechanical transducers such as cantilevers for atomic force microscopy. The illumination of a cantilever edge causes an asymmetric diffraction pattern at the photo-detector affecting the calibration of the measured signal in the popular optical beam deflection technique (OBDT). The conditions that avoid such detection artefacts conflict with the use of smaller cantilevers. Embracing diffraction patterns as data yields a potent detection technique that decouples tilt and curvature and simultaneously relaxes the requirements on the illumination alignment and detector position through a measurable which is invariant to translation and rotation. We show analytical results, numerical simulations and physiologically relevant experimental data demonstrating the utility of the diffraction patterns. We offer experimental design guidelines and quantify possible sources of systematic error in OBDT. We demonstrate a new nanometre resolution detection method that can replace OBDT, where diffraction effects from finite sized or patterned cantilevers are exploited. Such effects are readily generalized to cantilever arrays, and allow transmission detection of mechanical curvature, enabling instrumentation with simpler geometry. We highlight the comparative advantages over OBDT by detecting molecular activity of antibiotic Vancomycin.
Optical diffraction for measurements of nano-mechanical bending
Hermans, Rodolfo I; Ndieyira, Joseph Wafula; McKendry, Rachel A; Aeppli, Gabriel
2015-01-01
Micromechanical transducers such as cantilevers for AFM often rely on optical readout methods that require illumination of a specific region of the microstructure. Here we explore and exploit the diffraction effects that have been previously neglected when modeling cantilever bending measurement techniques. The illumination of a cantilever end causes an asymmetric diffraction pattern at the photodetector that significantly affects the calibration of the signal in the popular optical beam deflection technique (OBDT). Conditions for optimized linear signals that avoid detection artifacts conflict with small numerical aperture illumination and narrow cantilevers which are softer and therefore more sensitive. Embracing diffraction patterns as a physical measurable allows a richer detection technique that decouples measurements of tilt and curvature and simultaneously relaxes the requirements on the alignment of illumination and detector. We show analytical results, numerical simulations and physiologically releva...
The Young principle and integration-masked lumped sources of a diffracted field
Urusovskii, I. A.
2016-11-01
A methodologically simple modification of the Young principle is proposed for describing diffracted field formation in problems of wave diffraction by the sharp edges of screens and wedges without using Sommerfeld's two-sheeted space. The method of determining the diffracted field constructs the derivative of the field by introducing lumped sources positioned at given scattering edges with subsequent integration of the constructed field along the directions parallel to the wave fronts of the incident plane wave.
Neutron Powder Diffraction Study on Structure of LaNi3.8AlMn0.2 Compound
HAN; Wen-ze; GUO; Hao; SUN; Kai; CHEN; De-min; LIU; Shi; WU; Er-dong; LIU; Yun-tao; CHEN; Dong-feng
2015-01-01
The structures of original LaNi3.8AlMn0.2alloy and subsequent compounds by means of annealing at different temperatures(850,900,950,1 000℃)were examined by using neutron diffraction and X-ray diffraction,as shown in Figure 1.Based on the Rietveld method,the diffraction
Bor, Teunis Cornelis
2000-01-01
Lattice imperfections, such as dislocations and misfitting particles, shift and/or broaden X-ray diffraction (XRD) line profiles. Most of the present analysis methods of the shift and broadening of XRD line profiles do not provide the characteristics of lattice imperfections. The main part of this t
Dega-Szafran, Z.; Fojud, Z.; Katrusiak, A.; Szafran, M.
2009-06-01
The complex consisting of two piperidine-4-carboxylic acid, L-tartaric acid, water and methanol molecules has been synthesized and characterized by X-ray diffraction, 1H, 13C NMR, 13C CP MAS NMR, FTIR spectra and DFT calculations. The title complex is composed of the following units: piperidinium-4-carboxylate (P4C), piperidinium-4-carboxylic acid (P4CH), semi-tartrate anion (TA), water and methanol; it crystallizes in orthorhombic space group P2 12 12 1. TA anions form infinite chains through the COOH···OOC hydrogen bond of 2.503(5) Å. The zwitterionic P4C molecules are linked by the N +H···OOC hydrogen bond of 2.780(5) Å into chains. The P4CH cation is a bridge between the TA and P4C chains. P4CH and P4C form a homoconjugated cation through the COOH···OOC hydrogen bonds of 2.559(5) Å. Water interacts with TA and P4CH, while methanol interacts only with water. In the optimized molecule of the (P4C) 2H·TA·H 2O·HOCH 3 complex, the components form a cyclic oligomer through four O-H···O and four N-H···O hydrogen bonds. The 1H and 13C NMR spectra elucidate the structure of the title complex in the aqueous solution. The 13C CP MAS NMR spectrum is consistent with the X-ray results. The FTIR spectrum confirms a very complex structure of the title compound.
Boča, R.; Boča, M.; Ehrenberg, H.; Fuess, H.; Linert, W.; Renz, F.; Svoboda, I.
2003-09-01
The thermal expansion of the spin crossover system [Fe(pybzim) 3](ClO 4) 2 · H 2O (pybzim=2-(2 '-pyridyl)benzimidazole) has been determined from powder X-ray data between 50 and 250 K; the wavelength of the synchrotron source was 1.21888(1) Å. The unit cell parameters of the triclinic crystal system were a=12.091 Å, b=12.225 Å, c=14.083 Å, α=77.70°, β=80.35°, γ=74.35°, and V=1944.9 Å 3 at 250 K. In addition to the linear thermal expansion of the unit cell volume, an extra expansion due to the low-spin (LS) to high-spin (HS) transition is observed. The V( T) function shows a sudden increase comparable with the step in the effective magnetic moment at the transition region (140 K). A similar behavior is obtained on the basis of the infrared spectra. The absorption bands corresponding to the metal-ligand stretching modes change their intensities upon heating: the bands corresponding to the low-spin molecules (at ca. 409, 430, 443, and 460 cm -1) disappear in the gain of the high-spin bands (at 259 and 285 cm -1). The variable-temperature data obtained by different techniques (powder diffraction, EXAFS, IR spectra, Mössbauer spectra, magnetic susceptibility, DSC) have been transformed to a common basis - the temperature dependence of the high-spin mole fraction xHS( T). The application of the Ising-like (two-level) model of the spin crossover led to the thermodynamic data Δ H=2.6 kJ mol -1 and Δ S=19 J K -1 mol -1 as well as to the cooperativeness J/ k≈110 K (subtracted from the susceptibility data) that characterizes the abruptness of the spin crossover in the solid state.
X-ray wavefront modeling of Bragg diffraction from crystals
Sutter, John P.
2011-09-01
The diffraction of an X-ray wavefront from a slightly distorted crystal can be modeled by the Takagi-Taupin theory, an extension of the well-known dynamical diffraction theory for perfect crystals. Maxwell's equations applied to a perturbed periodic medium yield two coupled differential equations in the incident and diffracted amplitude. These equations are discretized for numerical calculation into the determination of the two amplitudes on the points of an integration mesh, beginning with the incident amplitudes at the crystal's top surface. The result is a set of diffracted amplitudes on the top surface (in the Bragg geometry) or the bottom surface (in the Laue geometry), forming a wavefront that in turn can be propagated through free space using the Fresnel- Huygens equations. The performance of the Diamond Light Source I20 dispersive spectrometer has here been simulated using this method. Methods are shown for transforming displacements calculated by finite element analysis into local lattice distortions, and for efficiently performing 3-D linear interpolations from these onto the Takagi-Taupin integration mesh, allowing this method to be extended to crystals under thermal load or novel mechanical bender designs.
X-Ray Diffraction Analysis Program
Wiedemann, K. E.; Unnam, J.; Naidu, S. V. N.; Houska, C. R.
1986-01-01
SOPAD separates overlapping peaks and analyzes derivatives of X-ray diffraction data. SOPAD helps analyst get most information out of available diffraction data. SOPAD uses Marquardt-type nonlinear regression routine to refine initial estimates of individual peak positions, intensities, shapes, and half-widths.
Exclusive Diffraction at HERA and Beyond
Fazio, S
2010-01-01
The exclusive diffractive production of vector mesons and real photons in ep collisions has been studied at HERA in a wide kinematic range. Here the most recent experimental results are presented together with a Regge-type model and projects for new diffractive studies at LHC.
Low mass diffractive systems at LHC
Schicker, R
2008-01-01
A rapidity gap trigger for the ALICE detector at the Large Hadron Collider LHC is presented and a few selected physics observables are discussed. First, some properties of double pomeron events are outlined. Second, signatures of the odderon in diffractive J/Psi production is discussed. Third, possible evidence of gluon saturation in the cross section of diffractive heavy quark photoproduction is investigated.
ATLAS results on diffraction and forward physics
Tasevsky, M; The ATLAS collaboration
2014-01-01
Report on activity in the field of diffraction and forward physics in the ATLAS experiment is given. Results from four analyses are discussed, namely based on diffractively enhanced events by vetoing one side of detector, on soft events with rapidity gaps, on events with jet vetoes and on total cross section measurement by the ALFA subdetector.
Diffractive Optics of Anisotropic Polarization Gratings
Xu, M.
2009-01-01
Diffraction gratings are being used to manipulate light in many different applications, such as in flat panel display systems, modern lighting systems, and optical recording. Diffraction gratings can be made polarization selective due to form birefringence. An alternative approach to polarization
Alves, Gilvan A. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Lab. de Cosmologia e Fisica Experimental de Altas Energias
2000-07-01
Full text follows: We review recent Hard Diffraction results from the D{phi} experiment at Fermilab, for the following processes: hard color singlet exchange, hard single diffraction, and hard double pomeron exchange. Measurements of rates, {eta}, E{sub T} and {radical}S dependencies are presented and comparisons made with predictions of several models. (author)
White-Light Diffraction with a CD
Ivanov, Dragia Trifonov; Nikolaev, Stefan
2010-01-01
Various wave optics experiments can be carried out using an ordinary compact disc. The CD is suitable for use as a diffraction grating. For instance, a standard CD (700 MB) has 625 lines/mm. In this article, the authors describe two white-light diffraction demonstrations for a large audience, realizable using a CD (as reflection or transmission…
Generalized upper bound for inelastic diffraction
Troshin, S. M.; Tyurin, N. E.
2017-01-01
For inelastic diffraction, we obtain an upper bound valid for the whole range of the elastic scattering amplitude variation allowed by unitarity. We discuss the energy dependence of the inelastic diffractive cross-section on the base of this bound and recent Large Hadron Collider (LHC) data.
A generalized upper bound for inelastic diffraction
Troshin, S M
2016-01-01
For the inelastic diffraction, we obtain an upper bound valid in the whole range of the elastic scattering amplitude variation allowed by unitarity. We discuss the energy dependence of the inelastic diffractive cross-section on the base of this bound and recent LHC data.
QCD subgroup on diffractive and forward physics
Albrow, M.G.; Baker, W.; Bhatti, A. [and others
1996-10-01
The goal is to understand the pomeron, and hence the behavior of total cross sections, elastic scattering and diffractive excitation, in terms of the underlying theory, QCD. A description of the basic ideas and phenomenology is followed by a discussion of hadron-hadron and electron-proton experiments. An appendix lists recommended diffractive-physics terms and definitions. 44 refs., 6 figs.
"Good-Walker" + QCD dipoles = Hard Diffraction
Peschanski, R
1998-01-01
The Good-Walker mechanism for diffraction is shown to provide a link between total and diffractive structure functions and to be relevant for QCD calculations at small x_{Bj}. For Deep-Inelastic scattering on a small-size target (cf. an onium) the r\\^ ole of Good-Walker ``diffractive eigenstates'' is played by the QCD dipoles appearing in the $1/N_C$ limit of QCD. Hard diffraction is thus related to the QCD tripe-dipole vertex which has been recently identified (and calculated) as being a conformal invariant correlator and/or a closed-string amplitude. An extension to hard diffraction at HERA via $k_T-$factorisation of the proton vertices leads to interesting phenomenology.
Boca, R.; Boca, M.; Ehrenberg, H.; Fuess, H.; Linert, W.; Renz, F.; Svoboda, I
2003-09-15
The thermal expansion of the spin crossover system [Fe(pybzim){sub 3}](ClO{sub 4}){sub 2} {center_dot} H{sub 2}O (pybzim=2-(2{sup '}-pyridyl)benzimidazole) has been determined from powder X-ray data between 50 and 250 K; the wavelength of the synchrotron source was 1.21888(1) A. The unit cell parameters of the triclinic crystal system were a=12.091 A, b=12.225 A, c=14.083 A, {alpha}=77.70 deg., {beta}=80.35 deg., {gamma}=74.35 deg., and V=1944.9 A{sup 3} at 250 K. In addition to the linear thermal expansion of the unit cell volume, an extra expansion due to the low-spin (LS) to high-spin (HS) transition is observed. The V(T) function shows a sudden increase comparable with the step in the effective magnetic moment at the transition region (140 K). A similar behavior is obtained on the basis of the infrared spectra. The absorption bands corresponding to the metal-ligand stretching modes change their intensities upon heating: the bands corresponding to the low-spin molecules (at ca. 409, 430, 443, and 460 cm{sup -1}) disappear in the gain of the high-spin bands (at 259 and 285 cm{sup -1}). The variable-temperature data obtained by different techniques (powder diffraction, EXAFS, IR spectra, Moessbauer spectra, magnetic susceptibility, DSC) have been transformed to a common basis - the temperature dependence of the high-spin mole fraction x{sub HS}(T). The application of the Ising-like (two-level) model of the spin crossover led to the thermodynamic data {delta}H=2.6 kJ mol{sup -1} and {delta}S=19 J K{sup -1} mol{sup -1} as well as to the cooperativeness J/k{approx}110 K (subtracted from the susceptibility data) that characterizes the abruptness of the spin crossover in the solid state.
Multifrequency Magneto-optic Bragg Diffraction and Radio Frequency Signal Parallel Processing
SHANG Dan; WU Bao-jian; QIU Kun
2008-01-01
Magneto-optic(MO) coupling of guided optical waves with microwave magnetostatic waves(MSWs) simultaneously excited by multiple radio frequency(RF) signals can lead to multifrequency diffraction effects and then parallel processing of RF signals can be realized by using of the characteristics that diffraction efficiencies(Des) are approximately in direct proportion to RF signals intensities and diffraction angles are related to frequencies of the corresponding RF signals within linear MO interaction region. In this paper, studied is the multifrequency MO Bragg diffraction in first-order MO interaction approximation, and obtained was the approximate analytical expression for principle diffraction efficiency(PDE). Also, put forward was a parallel imaging method of relative intensity of RF signals based on single-frequency diffraction. By calculation and analysis, it is shown that the relative error is not more than 0.3 dB for the case of three RF signals within the frequency space of 60 MHz.
牟建雷; 张津; 高振桓; 郑林; 何长光
2011-01-01
在普通X射线源上进行X射线衍射断层扫描成像检测晶体材料内部缺陷的研究极少,短波长X射线衍射仪(short wavelcngth X-ray diffractometer,SWXRD)相比同步辐射装置,体积小巧、实用和维护费用低.在SWXRI)上进行X射线衍射断层扫描时,缺陷边界的确定直接影响成像的质量和缺陷的辨别.采用衍射强度阈值法对测试数据进行处理,使得缺陷边界清晰可辨.运用Gauss函数拟合测试数据探索各种因素对阈值大小的影响,解决阈值设定的难题.通过研究置于铝粉中的不同直径像质计对阈值大小的影响,发现阈值为基体强度的91%较合适.然后测试铝板上的细缝进一步验证了阈值法对缺陷边界的改善和阈值选择的准确性.%There are few references about crystalline material internal defect detected by X-ray diffraction tomography using common X-ray source. Short wavelength X-ray diffractometer (SWXRD), invented by Institute of Southwest Technology Engineering, is a relatively small and inexpensive instrument compared to synchrotron radiation or neutron reactor. Boundary determination of defect affects the imaging quality and the distinguishing of defect in X-ray diffraction tomography using SWXRD. In the present paper, threshold value method of diffracted intensity is put forward to process the test data, so the boundary of defect is legible. In order to study how the factors influence the threshold value, Gauss function is used in fitting the test data. The influence of varisized image quality indicator pressed in powdered aluminum on threshold value has been studied.The result shows that 91％ of the diffraction intensity of substrate can be regarded as the threshold value. The experiment of slit in aluminum alloy sheet further verified the threshold value method. It's useful in detecting the defect boundary.
Edges and Diffractive Effects in Casimir Energies
Kabat, Daniel; Nair, V P
2010-01-01
The prototypical Casimir effect arises when a scalar field is confined between parallel Dirichlet boundaries. We study corrections to this when the boundaries themselves have apertures and edges. We consider several geometries: a single plate with a slit in it, perpendicular plates separated by a gap, and two parallel plates, one of which has a long slit of large width, related to the case of one plate being semi-infinite. We develop a general formalism for studying such problems, based on the wavefunctional for the field in the gap between the plates. This formalism leads to a lower dimensional theory defined on the open regions of the plates or boundaries. The Casimir energy is then given in terms of the determinant of the nonlocal differential operator which defines the lower dimensional theory. We develop perturbative methods for computing these determinants. Our results are in good agreement with known results based on Monte Carlo simulations. The method is well suited to isolating the diffractive contri...
Analysis of the role of diffraction in topographic site effects using boundary element techniques
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.
New diffractive results from the Tevatron
Gallinaro, Michele; /Rockefeller U.
2005-05-01
Experimental results in diffractive processes are summarized and a few notable characteristics described in terms of Quantum Chromodynamics. Exclusive dijet production is used to establish a benchmark for future experiments in the quest for diffractive Higgs production at the Large Hadron Collider. Using new data from the Tevatron and dedicated diffractive triggers, no excess over a smooth falling distribution for exclusive dijet events could be found. Stringent upper limits on the exclusive dijet production cross section are presented. The quark/gluon composition of dijet final states is used to provide additional hints on exclusive dijet production.
Macromolecular Powder Diffraction: Ready for genuine biological problems.
Karavassili, Fotini; Margiolaki, Irene
2016-01-01
Knowledge of 3D structures of biological molecules plays a major role in both understanding important processes of life and developing pharmaceuticals. Among several methods available for structure determination, macromolecular X-ray powder diffraction (XRPD) has transformed over the past decade from an impossible dream to a respectable method. XRPD can be employed in biosciences for various purposes such as observing phase transitions, characterizing bulk pharmaceuticals, determining structures via the molecular replacement method, detecting ligands in protein-ligand complexes, as well as combining micro-sized single crystal crystallographic data and powder diffraction data. Studies using synchrotron and laboratory sources in some standard configuration setups are reported in this review, including their respective advantages and disadvantages. Methods presented here provide an alternative, complementary set of tools to resolve structural problems. A variety of already existing software packages for powder diffraction data processing and analysis, some of which have been adapted to large unit cell studies, are briefly described. This review aims to provide necessary elements of theory and current methods, along with practical explanations, available software packages and highlighted case studies.
唐梦奇; 黎香荣; 刘国文; 刘顺琼
2015-01-01
At present,free α-SiO2 content is often determined by the pyrophosphate method and X-ray Diffraction ( XRD ) method. However, insoluble materials including FeO, Fe3 O4 and Fe2 O3 in mill scale cannot be decomposed by pyrophosphate,and thus the pyrophosphate method is not suitable for the determination of freeα-SiO2 content in mill scale. A method for detecting free α-SiO2 content in mill scale through X-ray diffraction K value method has been developed. α-Al2 O3 was used as the reference material. Diffraction peaks of crystal face (101)for α-SiO2 and crystal face(012)for α-Al2 O3 were used for measured diffraction peaks. Samples for detecting K value were prepared by mixing α-SiO2 with α-Al2 O3 at a mass ratio of 1: 1. The acquired K value is 7 . 86 . The measured K value has been applied to the determination of mill scale samples with known free α-SiO2 content,and the analytical results of free α-SiO2 content are in good agreement with practical values. Detection range of this method is that freeα-SiO2 are equal or greater than 0. 5%. This method is convenient and rapid,and has a wide detection range and can meet the need of imported mill scale inspection and supervision work.%目前通常采用焦磷酸法和X射线衍射法测定游离α-SiO2的含量，其中焦磷酸法不能消除氧化铁皮中FeO、Fe3 O4和Fe2 O3等焦磷酸难溶物质的影响，不适合用于测定氧化铁皮中的游离α-SiO2。本文建立了采用X射线衍射K值法测定氧化铁皮中游离α-SiO2含量的方法。以α-Al2 O3作为参考物质，以α-SiO2（101）衍射峰和α-Al2O3（012）衍射峰作为测量谱峰，将α-SiO2和α-Al2O3（质量比1：1）混合均匀制备成测量K值的试样，获得K值为7.86，应用此值分析已知游离α-SiO2含量的氧化铁皮样品，游离α-SiO2含量的测定值与实际值相符。该方法的测定范围为游离α-SiO2含量≥0.50％，且方便快速，能够满足进口氧化铁皮检验监管的工作需求。
Tunable Beam Diffraction in Infiltrated Microstructured Fibers
Rosberg, Christian Romer; Bennet, Francis H.; Neshev, Dragomir N.;
We experimentally study beam propagation in two dimensional photonic lattices in microstructured optical fibers infiltrated with high index liquids. We demonstrate strongly tunable beam diffraction by dynamically varying the coupling between individual lattice sites....
Thermal diffractive corrections to Casimir energies
Kabat, Daniel
2011-01-01
We study the interplay of thermal and diffractive effects in Casimir energies. We consider plates with edges, oriented either parallel or perpendicular to each other, as well as a single plate with a slit. We compute the Casimir energy at finite temperature using a formalism in which the diffractive effects are encoded in a lower dimensional non-local field theory that lives in the gap between the plates. The formalism allows for a clean separation between direct or geometric effects and diffractive effects, and makes an analytic derivation of the temperature dependence of the free energy possible. At low temperatures, with Dirichlet boundary conditions on the plates, we find that diffractive effects make a correction to the free energy which scales as T^6 for perpendicular plates, as T^4 for slits, and as T^4 log T for parallel plates.
The logarithmic slope in diffractive DIS
Gay-Ducati, M B; Machado, M V T
2002-01-01
The logarithmic slope of diffractive structure function is a potential observable to separate the hard and soft contributions in diffraction, allowing to disentangle the QCD dynamics at small-x region. In this paper we extend our previous analyzes and calculate the diffractive logarithmic slope for three current approaches in the literature: (i) the Bartels-Wusthoff model, based on perturbative QCD, (ii) the CKMT model, based on Regge theory and (iii) the Golec-Biernat-Wusthoff model which assumes that the saturation phenomena is present in the HERA kinematic region. We analyze the transition region of small to large momentum transfer and verify that future experimental results on the diffractive logarithmic slope could discriminate between these approaches.
Diffractive waveplates for long wave infrared
Ouskova, Elena; Roberts, David; Tabiryan, Nelson; Steeves, D. M.; Kimball, B. R.
2017-05-01
We report about developing long-wave infrared diffractive optical components based on liquid crystals. The components show high efficiency and high transparency for the 10.6 μm wavelength of CO2 laser beam.
Kinematic Diffraction from a Mathematical Viewpoint
Baake, Michael
2011-01-01
Mathematical diffraction theory is concerned with the analysis of the diffraction image of a given structure and the corresponding inverse problem of structure determination. In recent years, the understanding of systems with continuous and mixed spectra has improved considerably. Simultaneously, their relevance has grown in practice as well. In this context, the phenomenon of homometry shows various unexpected new facets. This is particularly so for systems with stochastic components. After the introduction to the mathematical tools, we briefly discuss pure point spectra, based on the Poisson summation formula for lattice Dirac combs. This provides an elegant approach to the diffraction formulas of infinite crystals and quasicrystals. We continue by considering classic deterministic examples with singular or absolutely continuous diffraction spectra. In particular, we recall an isospectral family of structures with continuously varying entropy. We close with a summary of more recent results on the diffractio...
X-ray diffraction: instrumentation and applications.
Bunaciu, Andrei A; Udriştioiu, Elena Gabriela; Aboul-Enein, Hassan Y
2015-01-01
X-ray diffraction (XRD) is a powerful nondestructive technique for characterizing crystalline materials. It provides information on structures, phases, preferred crystal orientations (texture), and other structural parameters, such as average grain size, crystallinity, strain, and crystal defects. X-ray diffraction peaks are produced by constructive interference of a monochromatic beam of X-rays scattered at specific angles from each set of lattice planes in a sample. The peak intensities are determined by the distribution of atoms within the lattice. Consequently, the X-ray diffraction pattern is the fingerprint of periodic atomic arrangements in a given material. This review summarizes the scientific trends associated with the rapid development of the technique of X-ray diffraction over the past five years pertaining to the fields of pharmaceuticals, forensic science, geological applications, microelectronics, and glass manufacturing, as well as in corrosion analysis.
Diffractive Optical Elements for Dynamic Optical Coupling
Changhe Zhou; Xin Zhao; Liren Liu
2003-01-01
Diffractive optical elements such as the complementary Dammann gratings are incorporated for dynamic optical fiber splitting and combining. Experimental results of 1′8 dynamic optical couplings are presented.
Diffractive Optical Elements for Dynamic Optical Coupling
无
2003-01-01
Diffractive optical elements such as the complementary Dammann gratings are incorporated for dynamic optical fiber splitting and combining. Experimental results of 1×8 dynamic optical couplings are presented.
Inclusive measurement of diffractive deep-inelastic scattering at HERA
Aaron, F.D. [National Institute for Physics and Nuclear Engineering (NIPNE), Bucharest (Romania); Bucharest Univ. (Romania). Faculty of Physics; Alexa, C. [National Institute for Physics and Nuclear Engineering (NIPNE), Bucharest (Romania); Andreev, V. [Lebedev Physical Institute, Moscow (RU)] (and others)
2012-03-15
The diffractive process ep {yields} eXY, where Y denotes a proton or its low mass excitation with M{sub Y}<1.6 GeV, is studied with the H1 experiment at HERA. The analysis is restricted to the phase space region of the photon virtuality 3{<=} Q{sup 2} {<=}1600 GeV{sup 2}, the square of the four-momentum transfer at the proton vertex vertical stroke t vertical stroke <1.0 GeV{sup 2} and the longitudinal momentum fraction of the incident proton carried by the colourless exchange x{sub P}<0.05. Triple differential cross sections are measured as a function of x{sub P}, Q{sup 2} and {beta}=x/x{sub P} where x is the Bjorken scaling variable. These measurements are made after selecting diffractive events by demanding a large empty rapidity interval separating the final state hadronic systems X and Y. High statistics measurements covering the data taking periods 1999-2000 and 2004-2007 are combined with previously published results in order to provide a single set of diffractive cross sections from the H1 experiment using the large rapidity gap selection method. The combined data represent a factor between three and thirty increase in statistics with respect to the previously published results. The measurements are compared with predictions from NLO QCD calculations based on diffractive parton densities and from a dipole model. The proton vertex factorisation hypothesis is tested. (orig.)
Inclusive measurement of diffractive deep-inelastic scattering at HERA
Aaron, F.D.; Alexa, C.; Rotaru, M.; Stoicea, G.; Andreev, V.; Belousov, A.; Eliseev, A.; Fomenko, A.; Gogitidze, N.; Lebedev, A.; Malinovski, E.; Rusakov, S.; Shtarkov, L.N.; Soloviev, Y.; Vazdik, Y.; Backovic, S.; Dubak, A.; Lastovicka-Medin, G.; Picuric, I.; Raicevic, N.; Baghdasaryan, A.; Baghdasaryan, S.; Zohrabyan, H.; Barrelet, E.; Bartel, W.; Belov, P.; Brandt, G.; Brinkmann, M.; Britzger, D.; Campbell, A.J.; Eckerlin, G.; Elsen, E.; Felst, R.; Fischer, D.J.; Fleischer, M.; Gayler, J.; Ghazaryan, S.; Glazov, A.; Gouzevitch, M.; Grebenyuk, A.; Habib, S.; Haidt, D.; Kleinwort, C.; Kraemer, M.; Levonian, S.; Lipka, K.; List, B.; List, J.; Lobodzinski, B.; Meyer, A.B.; Meyer, J.; Niebuhr, C.; Nowak, K.; Olsson, J.E.; Pahl, P.; Panagoulias, I.; Papadopoulou, T.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Radescu, V.; Schmitt, S.; Sefkow, F.; Shushkevich, S.; South, D.; Steder, M.; Wuensch, E.; Begzsuren, K.; Ravdandorj, T.; Tseepeldorj, B.; Bizot, J.C.; Brisson, V.; Delcourt, B.; Jacquet, M.; Pascaud, C.; Tran, T.H.; Zhang, Z.; Zomer, F.; Boudry, V.; Moreau, F.; Specka, A.; Bozovic-Jelisavcic, I.; Pandurovic, M.; Bracinik, J.; Kenyon, I.R.; Newman, P.R.; Thompson, P.D.; Bruncko, D.; Cerny, V.; Ferencei, J.; Bunyatyan, A.; Bylinkin, A.; Bystritskaya, L.; Fedotov, A.; Lubimov, V.; Ozerov, D.; Rostovtsev, A.; Zhokin, A.; Cantun Avila, K.B.; Contreras, J.G.; Ruiz Tabasco, J.E.; Ceccopieri, F.; Delvax, J.; Wolf, E.A. de; Favart, L.; Hreus, T.; Janssen, X.; Roosen, R.; Staykova, Z.; Mechelen, P. van; Cerny, K.; Pokorny, B.; Polifka, R.; Salek, D.; Valkarova, A.; Zacek, J.; Zlebcik, R.; Chekelian, V.; Dossanov, A.; Grindhammer, G.; Kiesling, C.; Coughlan, J.A.; Morris, J.V.; Sankey, D.P.C.; Cvach, J.; Hladky, J.; Reimer, P.; Zalesak, J.; Dainton, J.B.; Gabathuler, E.; Greenshaw, T.; Klein, M.; Kluge, T.; Kretzschmar, J.; Laycock, P.; Maxfield, S.J.; Mehta, A.; Patel, G.D.; Daum, K.; Meyer, H.; Diaconu, C.; Hoffmann, D.; Sauvan, E.; Vallee, C.; Dobre, M.; Kogler, R.; Dodonov, V.; Povh, B.; Egli, S.; Hildebrandt, M.; Horisberger, R.; Feltesse, J.; Perez, E.; Schoeffel, L.; Goerlich, L.; Mikocki, S.; Milcewicz-Mika, I.; Nowak, G.; Sopicki, P.; Turnau, J.; Grab, C.; Henderson, R.C.W.; Sloan, T.; Hennekemper, E.; Herbst, M.; Krueger, K.; Lendermann, V.; Schultz-Coulon, H.C.; Henschel, H.; Hiller, K.H.; Kostka, P.; Lange, W.; Naumann, T.; Herrera, G.; Lopez-Fernandez, R.; Huber, F.; Pirumov, H.; Sauter, M.; Schoening, A.; Joensson, L.; Jung, H.; Kapichine, M.; Morozov, A.; Nikitin, D.; Palichik, V.; Spaskov, V.; Landon, M.P.J.; Rizvi, E.; Traynor, D.; Martyn, H.U.; Mueller, K.; Robmann, P.; Straumann, U.; Truoel, P.; Stella, B.; Sykora, T.; Tsakov, I.; Wegener, D.; Collaboration: H1 Collaboration
2012-07-15
The diffractive process ep{yields}eXY, where Y denotes a proton or its low mass excitation with M{sub Y}<1.6 GeV, is studied with the H1 experiment at HERA. The analysis is restricted to the phase space region of the photon virtuality 3{<=}Q{sup 2}{<=} 1600 GeV {sup 2}, the square of the four-momentum transfer at the proton vertex vertical stroke t vertical stroke < 1.0 GeV {sup 2} and the longitudinal momentum fraction of the incident proton carried by the colourless exchange x{sub P}<0.05. Triple differential cross sections are measured as a function of x{sub P}, Q {sup 2} and {beta}=x/x{sub P} where x is the Bjorken scaling variable. These measurements are made after selecting diffractive events by demanding a large empty rapidity interval separating the final state hadronic systems X and Y. High statistics measurements covering the data taking periods 1999-2000 and 2004-2007 are combined with previously published results in order to provide a single set of diffractive cross sections from the H1 experiment using the large rapidity gap selection method. The combined data represent a factor between three and thirty increase in statistics with respect to the previously published results. The measurements are compared with predictions from NLO QCD calculations based on diffractive parton densities and from a dipole model. The proton vertex factorisation hypothesis is tested. (orig.)
Inclusive measurement of diffractive deep-inelastic scattering at HERA
Aaron, F.D. [National Institute for Physics and Nuclear Engineering (NIPNE), Bucharest (Romania); Bucharest Univ. (Romania). Faculty of Physics; Alexa, C. [National Institute for Physics and Nuclear Engineering (NIPNE), Bucharest (Romania); Andreev, V. [Lebedev Physical Institute, Moscow (RU)] (and others)
2012-03-15
The diffractive process ep {yields} eXY, where Y denotes a proton or its low mass excitation with M{sub Y}<1.6 GeV, is studied with the H1 experiment at HERA. The analysis is restricted to the phase space region of the photon virtuality 3{<=} Q{sup 2} {<=}1600 GeV{sup 2}, the square of the four-momentum transfer at the proton vertex vertical stroke t vertical stroke <1.0 GeV{sup 2} and the longitudinal momentum fraction of the incident proton carried by the colourless exchange x{sub P}<0.05. Triple differential cross sections are measured as a function of x{sub P}, Q{sup 2} and {beta}=x/x{sub P} where x is the Bjorken scaling variable. These measurements are made after selecting diffractive events by demanding a large empty rapidity interval separating the final state hadronic systems X and Y. High statistics measurements covering the data taking periods 1999-2000 and 2004-2007 are combined with previously published results in order to provide a single set of diffractive cross sections from the H1 experiment using the large rapidity gap selection method. The combined data represent a factor between three and thirty increase in statistics with respect to the previously published results. The measurements are compared with predictions from NLO QCD calculations based on diffractive parton densities and from a dipole model. The proton vertex factorisation hypothesis is tested. (orig.)
High Resolution X-Ray Diffraction of Macromolecules with Synchrotron Radiation
Stojanoff, Vivian; Boggon, Titus; Helliwell, John R.; Judge, Russell; Olczak, Alex; Snell, Edward H.; Siddons, D. Peter; Rose, M. Franklin (Technical Monitor)
2000-01-01
We recently combined synchrotron-based monochromatic X-ray diffraction topography methods with triple axis diffractometry and rocking curve measurements: high resolution X-ray diffraction imaging techniques, to better understand the quality of protein crystals. We discuss these methods in the light of results obtained on crystals grown under different conditions. These non destructive techniques are powerful tools in the characterization of the protein crystals and ultimately will allow to improve, develop, and understand protein crystal growth. High resolution X-ray diffraction imaging methods will be discussed in detail in light of recent results obtained on Hen Egg White Lysozyme crystals and other proteins.
[X-ray diffraction spectrum of heroin].
Hu, X; Kan, J; Yuan, B
1999-06-01
In this paper, practical measured X-ray diffraction spectra of heroin and opium are given and the parameters of each diffraction peak of the heroin are listed. The heroin belongs to orthorhombic crystal system; the basic vectors of the primitive cell are: a = 8.003, b = 14.373, c = 16.092 x 10(-10) m. As compared with the standard spectra of pure heroin and sucrose, the main doped additive checked by us, is sugar affirmatively.
Diffractive Leptoproduction of Vector Mesons in QCD
Brodsky, Stanley J.; Frankfurt, L.; Gunion, J. F.; Mueller, A.H.; Strikman, M.
1994-01-01
We demonstrate that the distinctive features of the forward differential cross section of diffractive leptoproduction of a vector meson can be legitimately calculated in perturbative QCD in terms of the light-cone $q \\bar q$ wave function of the vector meson and the gluon distribution of the target. In particular, we calculate the $Q^2$ and nuclear dependence of the diffractive leptoproduction of vector mesons and estimate the cross section. The production of longitudinally polarized vector m...
Unified QCD picture of hard diffraction
Navelet, H
2001-01-01
Using a combination of S-Matrix and perturbative QCD properties in the small x_{Bjorken} regime, we propose a formulation of hard diffraction unifying the partonic (Ingelman-Schlein) Pomeron, Soft Colour Interaction and QCD dipole descriptions. In particular, we show that all three approaches give an unique and mutually compatible formula for the proton diffractive structure functions incorporating perturbative and non perturbative QCD features.
Diffractive and ultraperipheral physics with ALICE
Schicker, Rainer
2008-01-01
The ALICE experiment consists of a central barrel, a muon spe ctrometer, zero degree calorimeters and additional detectors for trigger and event classificati on purposes. Such a geometry allows the implementation of a double gap trigger. A diffractive physi cs program of ALICE is outlined and a few specific reaction channels are discussed in order to ill ustrate the interest in such a diffractive physics program
Measuring Spray Droplet Size from Agricultural Nozzles Using Laser Diffraction.
Fritz, Bradley K; Hoffmann, W Clint
2016-09-16
When making an application of any crop protection material such as an herbicide or pesticide, the applicator uses a variety of skills and information to make an application so that the material reaches the target site (i.e., plant). Information critical in this process is the droplet size that a particular spray nozzle, spray pressure, and spray solution combination generates, as droplet size greatly influences product efficacy and how the spray moves through the environment. Researchers and product manufacturers commonly use laser diffraction equipment to measure the spray droplet size in laboratory wind tunnels. The work presented here describes methods used in making spray droplet size measurements with laser diffraction equipment for both ground and aerial application scenarios that can be used to ensure inter- and intra-laboratory precision while minimizing sampling bias associated with laser diffraction systems. Maintaining critical measurement distances and concurrent airflow throughout the testing process is key to this precision. Real time data quality analysis is also critical to preventing excess variation in the data or extraneous inclusion of erroneous data. Some limitations of this method include atypical spray nozzles, spray solutions or application conditions that result in spray streams that do not fully atomize within the measurement distances discussed. Successful adaption of this method can provide a highly efficient method for evaluation of the performance of agrochemical spray application nozzles under a variety of operational settings. Also discussed are potential experimental design considerations that can be included to enhance functionality of the data collected.
When fast atom diffraction turns 3D
Zugarramurdi, Asier; Borisov, Andrei G., E-mail: andrei.borissov@u-psud.fr
2013-12-15
Fast atom diffraction at surfaces (FAD) in grazing incidence geometry is characterized by the slow motion in the direction perpendicular to the surface and fast motion parallel to the surface plane along a low index direction. It is established experimentally that for the typical surfaces the FAD reveals the 2D diffraction patterns associated with exchange of the reciprocal lattice vector perpendicular to the direction of fast motion. The reciprocal lattice vector exchange along the direction of fast motion is negligible. The usual approximation made in the description of the experimental data is then to assume that the effective potential leading to the diffraction results from the averaging of the 3D surface potential along the atomic strings forming the axial channel. In this work we use full quantum wave packet propagation calculations to study theoretically the possibility to observe the 3D diffraction in FAD experiments. We show that for the surfaces with large unit cell, such as can be the case for reconstructed or vicinal surfaces, the 3D diffraction can be observed. The reciprocal lattice vector exchange along the direction of fast motion leads to several Laue circles in the diffraction pattern.
Diffractive and non-diffractive wounded nucleons and final states in pA collisions
Bierlich, Christian; Lönnblad, Leif
2016-01-01
We review the state-of-the-art of Glauber-inspired models for estimating the distribution of the number of participating nucleons in pA and AA collisions. We argue that there is room for improvement in these models when it comes to the treatment of diffractive excitation processes, and present a new simple Glauber-like model where these processes are better taken into account. We also suggest a new way of using the number of participating, or wounded, nucleons to extrapolate event characteristics from pp collisions, and hence get an estimate of basic hadronic final-state properties in pA collisions, which may be used to extract possible nuclear effects. The new method is inspired by the Fritiof model, but based on the full, semi-hard multiparton interaction model of Pythia 8.
Diffractive and non-diffractive wounded nucleons and final states in pA collisions
Bierlich, Christian; Gustafson, Gösta; Lönnblad, Leif [Department of Astronomy and Theoretical Physics,Sölvegatan 14A, S-223 62 Lund (Sweden)
2016-10-25
We review the state-of-the-art of Glauber-inspired models for estimating the distribution of the number of participating nucleons in pA and AA collisions. We argue that there is room for improvement in these model when it comes to the treatment of diffractive excitation processes, and present a new simple Glauber-like model where these processes are better taken into account. We also suggest a new way of using the number of participating, or wounded, nucleons to extrapolate event characteristics from pp collisions, and hence get an estimate of basic hadronic final-state properties in pA collisions, which may be used to extract possible nuclear effects. The new method is inspired by the Fritiof model, but based on the full, semi-hard multiparton interaction model of PYTHIA8.
SPEDEN: Reconstructing single particles from their diffraction patterns
Hau-Riege, S P; Chapman, H N; Szoke, A; Marchesini, S; Noy, A; He, H; Howells, M R; Weierstall, U; Spence, J C H
2004-01-01
Speden is a computer program that reconstructs the electron density of single particles from their x-ray diffraction patterns, using a single-particle adaptation of the Holographic Method in crystallography. (Szoke, A., Szoke, H., and Somoza, J.R., 1997. Acta Cryst. A53, 291-313.) The method, like its parent, is unique that it does not rely on ``back'' transformation from the diffraction pattern into real space and on interpolation within measured data. It is designed to deal successfully with sparse, irregular, incomplete and noisy data. It is also designed to use prior information for ensuring sensible results and for reliable convergence. This article describes the theoretical basis for the reconstruction algorithm, its implementation and quantitative results of tests on synthetic and experimentally obtained data. The program could be used for determining the structure of radiation tolerant samples and, eventually, of large biological molecular structures without the need for crystallization.
Diffraction of Electromagnetic Wave by Circular Disk and Circular Hole
Shahzad, Muhammad Adnan
2010-01-01
The problem of diffraction of an electromagnetic plane wave by a perfectly conducting circular disk and its complementary problem, diffraction by a circular hole in an infinite conducting plate, are rigorously solved using the method of the Kobayashi potential. The mathematical formulation involved dual integral equation derived from the potential integral and boundary condition on the plane where a disk or hole is located. The weighting function in the potential integral are determined by applying the properties of the Weber-Schafheitlin's discontinuous integral and the solution are obtained in the form of a matrix equation. The matrix elements of the equations for the expansion coefficients are given by three kinds of infinite integral and the series solution for these infinite integral are derived. For the verification of these series solution, the numerical integral are derived and the results are computed numerically using the method of Gaussian quadrature for conformation. The numerical results are give...
Groove shape characteristics of echelle gratings with high diffraction efficiency
Zhang, Shanwen; Mi, Xiaotao; Zhang, Qian; Jirigalantu; Feng, Shulong; Yu, Haili; Qi, Xiangdong
2017-03-01
The groove shape characteristics of echelle gratings with high diffraction efficiency are investigated. Using the coordinate transformation method (C method), an r-2 aluminum echelle with 79 grooves/mm is optimized through rigorous numerical simulations and shows high diffraction efficiency of 76-81% in the high Littrow orders. A grating is found to be essentially an echelle if it contains a series of reflective facets with a specific tilt angle that are located far from the nonworking facet of the grating and have a deep groove depth; any groove shape that meets these conditions can be called an echelle grating. The underlying mechanism is analyzed phenomenologically using electromagnetic theory. The universal model proposed here, which represents a new cognitive understanding of the concept of the echelle, is ready for use in manufacturing applications and offers a new perspective for the fabrication of these gratings.
Multiple Parton Interactions in Hadron Collisions and Diffraction
Lipari, Paolo
2009-01-01
Hadrons are composite objects made of quarks and gluons, and during a collision one can have several elementary interactions between the constituents. These elementary interactions, using an appropriate theoretical framework, can be related to the total and elastic cross sections. At high c.m. energy it also becomes possible to identify experimentally a high pt subset of the parton interactions and to study their multiplicity distribution. Predictions of the multiple interactions rates are difficult because in principle one needs to have a knowledge of the correlated Parton Distribution Functions that describe the probability to find simultaneously different partons in different elements of phase space. In this work we address this question and suggest a method to describe effectively the fluctuations in the instantaneous configuration of a colliding hadron. This problem is intimately related to the origin of the inelastic diffractive processes. We present a new method to include the diffractive cross section...
Yifeng Yun
2015-03-01
Full Text Available Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED data collection, namely automated diffraction tomography (ADT and rotation electron diffraction (RED, have been developed. Compared with X-ray diffraction (XRD and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni–Se–O–Cl crystals, zeolites, germanates, metal–organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three
Yun, Yifeng; Zou, Xiaodong; Hovmöller, Sven; Wan, Wei
2015-01-01
Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED) data collection, namely automated diffraction tomography (ADT) and rotation electron diffraction (RED), have been developed. Compared with X-ray diffraction (XRD) and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD) provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni–Se–O–Cl crystals, zeolites, germanates, metal–organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three-dimensional ED
A modified phase diversity wavefront sensor with a diffraction grating
Luo Qun; Huang Lin-Hai; Gu Nai-Ting; Rao Chang-Hui
2012-01-01
The phase diversity wavefront sensor is one of the tools used to estimate wavefront aberration,and it is often used as a wavefront sensor in adaptive optics systems.However,the performance of the traditional phase diversity wavefront sensor is limited by the accuracy and dynamic ranges of the intensity distribution at the focus and defocus positions of the CCD camera.In this paper,a modified phase diversity wavefront sensor based on a diffraction grating is proposed to improve the ability to measure the wavefront aberration with larger amplitude and higher spatial frequency.The basic principle and the optics construction of the proposed method are also described in detail.The noise propagation property of the proposed method is also analysed by using the numerical simulation method,and comparison between the diffraction grating phase diversity wavefront sensor and the traditional phase diversity wavefront sensor is also made.The simulation results show that the diffraction grating phase diversity wavefront sensor can obviously improve the ability to measure the wavefront aberration,especially the wavefront aberration with larger amplitude and higher spatial frequency.
Localizer with high occlusion immunity using diffraction optics
Ditto, Thomas D.; Farges, Jacques
2004-10-01
The chromatic method of diffraction range finding can be exploited to construct a 3D localizer that tracks the position of a pointer, a 3-D scanner or a robotic end-effecter. A spectrogram is made using a diffraction grating as the primary objective of an optical system that tracks a broad band emitter such as a tungsten filament or white L.E.D. Image processing on the resulting spectra transforms the spectrogram at the input to distance and displacement at the output. The behavior conforms to geometric optics following the Diffraction Equation. This novel technique has unique features. For example, the number of samples increases with target distance, reversing the loss of resolution as a function of distance that is endemic to triangulation. The plurality of samples also can overcome occlusion liability common to time-of-flight range finders, since multiple paths exist between emitter and sensor. The grating can be made from inexpensive embossed plastic, and a wave length sensor can be constructed from garden variety color cameras. The method is robust at a grazing exodus angles that allow for a compact configuration of the receiver. In this paper we disclose the theory of operation including a mathematical model, and we demonstrate the method empirically.
Super-virtual interferometric diffractions as guide stars
Dai, Wei
2011-01-01
A significant problem in seismic imaging is seismically seeing below salt structures: large velocity contrasts and the irregular geometry of the salt-sediment interface strongly defocus both the downgoing and upgoing seismic wavefields. This can result in severely defocused migration images so as to seismically render some subsalt reserves invisible. The potential cure is a good estimate of the subsalt and salt velocity distributions, but that is also the problem: severe velocity contrasts prevent the appearance of coherent subsalt reflections in the surface records so that MVA or tomographic methods can become ineffective. We now present an interferometric method for extracting the diffraction signals that emanate from diffractors, also denoted as seismic guide stars. The signal-to-noise ratio of these interferometric diffractions is enhanced by N, where N is the number of source points coincident with the receiver points. Thus, diffractions from subsalt guide stars can then be rendered visible and so can be used for velocity analysis, migration, and focusing of subsalt reflections. Both synthetic and field data records are used to demonstrate the benefits and limitations of this method. © 2011 Society of Exploration Geophysicists.
Blazed Grating Resonance Conditions and Diffraction Efficiency Optical Transfer Function
Stegenburgs, Edgars
2017-01-08
We introduce a general approach to study diffraction harmonics or resonances and resonance conditions for blazed reflecting gratings providing knowledge of fundamental diffraction pattern and qualitative understanding of predicting parameters for the most efficient diffraction.
Dilanian, Ruben A; Varghese, Jose N; Wilkins, Steve W; Oka, Toshihiko; Yagi, Naoto; Quiney, Harry M; Nugent, Keith A
2010-01-01
The application of powder diffraction methods in two-dimensional crystallography is regarded as intractable because of the uncertainties associated with overlapping reflections. Here, we report an approach that resolves these ambiguities and provides reliable low-resolution phase information directly from powder diffraction data. We apply our method to the recovery of the structure of the bacteriorhodopsin (bR) molecule to a resolution of 7 angstroms using only powder diffraction data obtained from two-dimensional purple membrane (PM) crystals.
Photo-imprint Photoacoustic Microscopy for Three-dimensional Label-free Sub-diffraction Imaging
Yao, Junjie; Wang, Lidai; Li, Chiye; Zhang, Chi; Wang, Lihong V.
2014-01-01
Sub-diffraction optical microscopy allows the imaging of cellular and subcellular structures with resolution finer than the diffraction limit. Here, combining the absorption-based photoacoustic effect and intensity-dependent photobleaching effect, we demonstrate a simple method for sub-diffraction photoacoustic imaging of both fluorescent and non-fluorescent samples. Our method is based on a double-excitation process, where the first excitation pulse partially and inhomogeneously bleaches the molecules in the diffraction-limited excitation volume, thus biasing the signal contributions from a second excitation pulse striking the same region. The differential signal between the two excitations preserves the signal contribution mostly from the center of the excitation volume, and dramatically sharpens the lateral resolution. Moreover, due to the nonlinear nature of the signal, our method offers inherent optical sectioning capability, which is lacking in conventional photoacoustic microscopy. By scanning the excitation beam, we performed three-dimensional sub-diffraction imaging of varied fluorescent and non-fluorescent species. As any molecules have absorption, this technique has the potential to enable label-free sub-diffraction imaging, and can be transferred to other optical imaging modalities or combined with other sub-diffraction methods. PMID:24483902
Remote Laser Diffraction PSD Analyzer
Batcheller, Thomas Aquinas; Huestis, Gary Michael; Bolton, Steven Michael
2000-06-01
Particle size distribution (PSD) analysis of radioactive slurry samples were obtained using a modified "off-the-shelf" classical laser light scattering particle size analyzer. A Horiba Instruments Inc. Model La-300 PSD analyzer, which has a 0.1 to 600 micron measurement range, was modified for remote application in a "hot cell" (gamma radiation) environment. The general details of the modifications to this analyzer are presented in this paper. This technology provides rapid and simple PSD analysis, especially down in the fine and microscopic particle size regime. Particle size analysis of these radioactive slurries down in this smaller range was not achievable - making this technology far superior than the traditional methods used previously. Remote deployment and utilization of this technology is in an exploratory stage. The risk of malfunction in this radiation environment is countered by gaining of this tremendously useful fundamental engineering data. Successful acquisition of this data, in conjunction with other characterization analyses, provides important information that can be used in the myriad of potential radioactive waste management alternatives.
Investigation of diffractive optical element femtosecond laser machining
Chabrol, Grégoire R., E-mail: g.chabrol@ecam-strasbourg.eu [ECAM Strasbourg-Europe, Espace Européen de l’entreprise, 2, rue de Madrid – 67300 SCHILTIGHEIM, CS. 20013, 67012 Strasbourg CEDEX (France); Laboratoire des Sciences de l’Ingénieur, de l’Informatique et de l’Imagerie (ICube), UDS-CNRS, UMR 7357, 300 bld Sébastien Brant, CS 10413, 67412 Illkirch cedex (France); Ciceron, Adline [ECAM Strasbourg-Europe, Espace Européen de l’entreprise, 2, rue de Madrid – 67300 SCHILTIGHEIM, CS. 20013, 67012 Strasbourg CEDEX (France); Laboratoire des Sciences de l’Ingénieur, de l’Informatique et de l’Imagerie (ICube), UDS-CNRS, UMR 7357, 300 bld Sébastien Brant, CS 10413, 67412 Illkirch cedex (France); Twardowski, Patrice; Pfeiffer, Pierre [Laboratoire des Sciences de l’Ingénieur, de l’Informatique et de l’Imagerie (ICube), UDS-CNRS, UMR 7357, 300 bld Sébastien Brant, CS 10413, 67412 Illkirch cedex (France); Télécom Physique Strasbourg – Pôle API – 300 Bd Sébastien Brant – CS 10413, Illkirch Graffenstaden F 67400 (France); and others
2016-06-30
Highlights: • A method for rapid manufacturing of optical diffractive element in BK7 is proposed. • A binary grating in BK7 was successfully machined by femtosecond laser pulses. • Process relying on nonlinear absorption in the dielectric due to photoionization. • The binary grating was analysed by SEM and interferometric microscopy. • Simulations by Fourier modal method supported the measured diffractive efficiency. - Abstract: This paper presents an explorative study on the machining of diffractive optical elements (DOEs) in transparent materials using a femtosecond laser source. A simple form of DOE, a binary phase grating with a period of 20.85 μm (σ = 0.5 μm), a groove depth and width of 0.7 μm (σ = 0.2 μm) and 8.8 μm (σ = 0.5 μm) respectively, was successfully machined in BK7. The topographic characteristics were measured by white light interferometry and scanning electron microscopy (SEM). The processing was carried out on high precision stages with an ultrafast fibre laser (350 fs) emitting a 343 nm pulse focused onto the sample with a stationary microscope objective. A diffracted efficiency of 27%, obtained with a spectro goniometer, was corroborated by the theoretical results obtained by the Fourier modal method (FMM), taking into account the measured topographic values. These encouraging results demonstrate that high-speed femtosecond laser manufacturing of DOE in bulk glasses can be achieved, opening the way to rapid prototyping of multi-layered-DOEs.
Future of Electron Scattering and Diffraction
Hall, Ernest [GE Global Research, Niskayuna, New York (United States); Stemmer, Susanne [Univ. of California, Santa Barbara, CA (United States); Zheng, Haimei [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zhu, Yimei [Brookhaven National Lab. (BNL), Upton, NY (United States); Maracas, George [Dept. of Energy (DOE), Washington DC (United States). Office of Science
2014-02-25
spectroscopy with high spatial resolution without damaging their structure. The strong interaction of electrons with matter allows high-energy electron pulses to gather structural information before a sample is damaged. Electron ScatteringImaging, diffraction, and spectroscopy are the fundamental capabilities of electron-scattering instruments. The DOE BES-funded TEAM (Transmission Electron Aberration-corrected Microscope) project achieved unprecedented sub-atomic spatial resolution in imaging through aberration-corrected transmission electron microscopy. To further advance electron scattering techniques that directly enable groundbreaking science, instrumentation must advance beyond traditional two-dimensional imaging. Advances in temporal resolution, recording the full phase and energy spaces, and improved spatial resolution constitute a new frontier in electron microscopy, and will directly address the BES Grand Challenges, such as to “control the emergent properties that arise from the complex correlations of atomic and electronic constituents” and the “hidden states” “very far away from equilibrium”. Ultrafast methods, such as the pump-probe approach, enable pathways toward understanding, and ultimately controlling, the chemical dynamics of molecular systems and the evolution of complexity in mesoscale and nanoscale systems. Central to understanding how to synthesize and exploit functional materials is having the ability to apply external stimuli (such as heat, light, a reactive flux, and an electrical bias) and to observe the resulting dynamic process in situ and in operando, and under the appropriate environment (e.g., not limited to UHV conditions). To enable revolutionary advances in electron scattering and science, the participants of the workshop recommended three major new instrumental developments: A. Atomic-Resolution Multi-Dimensional Transmission Electron Microscope: This instrument would provide quantitative information over the entire real space
Rank-1 accelerated illumination recovery in scanning diffractive imaging by transparency estimation.
Wu, Hau-Tieng
2014-08-07
Illumination retrieval in scanning diffractive imaging a.k.a. ptychography is challenging when the specimen is weakly scattering or surrounded by empty space. We describe a rank-1 acceleration method for weakly scattering or piecewise smooth specimens.
Braginets, Eugene; Kurashov, V.; Honcharuk, S.; Girnyk, V.; Kostyukevych, S.; Kostyukevych, K.
2011-02-01
The goal of a present research is to develop a method for production of multilevel Diffractive Optical Elements (DOEs) for use in Digital Security Holograms, using the direct-writing maskless lithography system.
Phenomenology of hard diffraction at high energies
Machado, Magno V T
2016-01-01
We present some of the topics covered in two lectures under the same title that was given at the "Summer School on High Energy Physics at the LHC: New trends in HEP" in Natal, Brazil. In this contribution we give a brief review on the application of perturbative QCD to the hard diffractive processes. Such reactions involving a hard scale can be understood in terms of quarks and gluons degrees of freedom and have become an useful tool for investigating the low-$x$ structure of the proton and the behavior of QCD in the high-density regime. We start using the information from the $ep$ collisions at HERA concerned to the inclusive diffraction to introduce the concept of diffractive parton distributions. Their interpretation in the resolved pomeron model is addressed and we discuss the limits of diffractive hard-scattering factorization for hadron-hadron collisions. Some examples of phenomenology for the diffractive production of $W/Z$, heavy $Q\\bar{Q}$ and quarkonium in hadron-hadron reactions are presented. We a...
Particle manipulation beyond the diffraction limit using structured super-oscillating light beams
Singh, Brijesh Kumar; Roichman, Yael; Arie, Ady
2016-01-01
The diffraction limited resolution of light focused by a lens was derived in 1873 by Ernst Abbe. Later in 1952, a method to reach sub-diffraction light spots was proposed by modulating the wavefront of the focused beam. In a related development, super-oscillating functions, i.e. band limited functions that locally oscillate faster than their highest Fourier component, were introduced and experimentally applied for super-resolution microscopy. Up till now, only simple Gaussian-like sub-diffraction spots were used. Here we show that the amplitude and phase profile of these sub-diffraction spots can be arbitrarily controlled. In particular we utilize Hermite-Gauss, Laguerre-Gauss and Airy functions to structure super-oscillating beams with sub-diffraction lobes. These structured beams are then used for high resolution trapping and manipulation of nanometer-sized particles. The trapping potential provides unprecedented localization accuracy and stiffness, significantly exceeding those provided by standard diffrac...
Femtosecond X-ray diffraction from two-dimensional protein crystals.
Frank, Matthias; Carlson, David B; Hunter, Mark S; Williams, Garth J; Messerschmidt, Marc; Zatsepin, Nadia A; Barty, Anton; Benner, W Henry; Chu, Kaiqin; Graf, Alexander T; Hau-Riege, Stefan P; Kirian, Richard A; Padeste, Celestino; Pardini, Tommaso; Pedrini, Bill; Segelke, Brent; Seibert, M Marvin; Spence, John C H; Tsai, Ching-Ju; Lane, Stephen M; Li, Xiao-Dan; Schertler, Gebhard; Boutet, Sebastien; Coleman, Matthew; Evans, James E
2014-03-01
X-ray diffraction patterns from two-dimensional (2-D) protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL) are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 Å resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.
Resolution enhancement in coherent x-ray diffraction imaging by overcoming instrumental noise.
Kim, Chan; Kim, Yoonhee; Song, Changyong; Kim, Sang Soo; Kim, Sunam; Kang, Hyon Chol; Hwu, Yeukuang; Tsuei, Ku-Ding; Liang, Keng San; Noh, Do Young
2014-11-17
We report that reference objects, strong scatterers neighboring weak phase objects, enhance the phase retrieval and spatial resolution in coherent x-ray diffraction imaging (CDI). A CDI experiment with Au nano-particles exhibited that the reference objects amplified the signal-to-noise ratio in the diffraction intensity at large diffraction angles, which significantly enhanced the image resolution. The interference between the diffracted x-ray from reference objects and a specimen also improved the retrieval of the phase of the diffraction signal. The enhancement was applied to image NiO nano-particles and a mitochondrion and confirmed in a simulation with a bacteria phantom. We expect that the proposed method will be of great help in imaging weakly scattering soft matters using coherent x-ray sources including x-ray free electron lasers.
Remote Laser Diffraction Particle Size Distribution Analyzer
Batcheller, Thomas Aquinas; Huestis, Gary Michael; Bolton, Steven Michael
2001-03-01
In support of a radioactive slurry sampling and physical characterization task, an “off-the-shelf” laser diffraction (classical light scattering) particle size analyzer was utilized for remote particle size distribution (PSD) analysis. Spent nuclear fuel was previously reprocessed at the Idaho Nuclear Technology and Engineering Center (INTEC—formerly recognized as the Idaho Chemical Processing Plant) which is on DOE’s INEEL site. The acidic, radioactive aqueous raffinate streams from these processes were transferred to 300,000 gallon stainless steel storage vessels located in the INTEC Tank Farm area. Due to the transfer piping configuration in these vessels, complete removal of the liquid can not be achieved. Consequently, a “heel” slurry remains at the bottom of an “emptied” vessel. Particle size distribution characterization of the settled solids in this remaining heel slurry, as well as suspended solids in the tank liquid, is the goal of this remote PSD analyzer task. A Horiba Instruments Inc. Model LA-300 PSD analyzer, which has a 0.1 to 600 micron measurement range, was modified for remote application in a “hot cell” (gamma radiation) environment. This technology provides rapid and simple PSD analysis, especially down in the fine and microscopic particle size regime. Particle size analysis of these radioactive slurries down in this smaller range was not previously achievable—making this technology far superior than the traditional methods used. Successful acquisition of this data, in conjunction with other characterization analyses, provides important information that can be used in the myriad of potential radioactive waste management alternatives.
Influence of X-ray Powder Diffraction Instrument Error on Crystalline Structure Analysis
HUANG Qing-Ming; YU Jian-Chang; WANG Yun-Min; WU Wan-Guo
2005-01-01
Standard mica was used to correct the X-ray powder diffraction instrument error and mathematic methods were employed to find the correction equation. By analyzing mullite sample and comparing the corrected and uncorrected analysis results we found the former is obviously more reasonable. So the conclusion is that the X-ray powder diffraction instrument error greatly affects the crystalline structure analysis, and the above method is convenient and effective for the correction of instrument error.
Analysis of LCoS displays performance in diffractive optics
Lizana, A.; Lobato, L.; Iemmi, C.; Márquez, A.; Moreno, I.; Campos, J.; Yzuel, M. J.
2010-06-01
In this paper, we describe the Mueller-Jones combined method which is useful to optimize the LCoS displays phase response. This method, by means of the experimentally obtained Mueller matrices of the device, enables to obtain pairs of states of polarization (for the generation and for the detection states), which lead to the phase-only modulation regime. Moreover, some experimental results are provided as a function of the incident angle, wavelength and gray level. In addition, we also show the strong dependence of the LCoS performance with the signal addressed to the device, which affects the value of different physical parameters, such as the global phase-shift or the time-fluctuations in phase. Retardance curve and time-fluctuations in phase for the different sequences studied are obtained from the experimental Mueller matrices (the former) and by using a diffractive based set-up (the latter). The efficiency of basic diffractive optical elements is tested with the LCoS display, emphasizing the suitability of the best electrical sequence found when used in diffractive optics.
Neutron diffraction investigations of kesterites: cation order and disorder
Schorr, Susan [Free University Berlin, Institute of Geological Sciences (Germany); Tovar, Michael [Helmholtz Zentrum Berlin fuer Materialien und Energie (Germany); Levcenco, Sergej; Napetrov, Alexander; Arushanov, Ernest [Academy of Sciences of Moldova Republic, Institute of Applied Physics, Chisinau (Moldova)
2010-07-01
The quaternary chalcogenides Cu{sub 2}ZnSnS{sub 4} and Cu{sub 2}ZnSnSe{sub 4} have newly attracted attention as possible absorber materials in thin film solar cells. They crystallize in the kesterite type (space group I anti 4) or stannite type structure (space group I anti 42m), which are described as an ordered distribution of the cations on different structural sites. Cation disorder may cause site defects and hence influences the electronic properties of the material. Thus the degree of cation order/disorder plays a crucial role and was therefor in the focus of the presented investigations. A differentiation between the isoelectronic cations Cu{sup +} and Zn{sup 2+} is not possible using X-ray diffraction due to their similar scattering power. But their neutron scattering lengths are different, thus neutron diffraction opens the possibility to determine the cation distribution in these compounds. A simultaneous Rietveld analysis of neutron and X-ray powder diffraction data revealed that in dependence on the thermal history of the samples cation disorder appears. The correlation trend between cation order/disorder and the sample growth method (solid state synthesis, Bridgman method) are discussed.
Random point sets and their diffraction
Baake, Michael
2010-01-01
The diffraction of various random subsets of the integer lattice $\\mathbb{Z}^{d}$, such as the coin tossing and related systems, are well understood. Here, we go one important step beyond and consider random point sets in $\\mathbb{R}^{d}$. We present several systems with an effective stochastic interaction that still allow for explicit calculations of the autocorrelation and the diffraction measure. We concentrate on one-dimensional examples for illustrative purposes, and briefly indicate possible generalisations to higher dimensions. In particular, we discuss the stationary Poisson process in $\\mathbb{R}^{d}$ and the renewal process on the line. The latter permits a unified approach to a rather large class of one-dimensional structures, including random tilings. Moreover, we present some stationary point processes that are derived from the classical random matrix ensembles as introduced in the pioneering work of Dyson and Ginibre. Their re-consideration from the diffraction point of view improves the intuiti...
Immobilizing Biomolecules Near the Diffraction Limit
Skovsen, Esben; Petersen, Maria Teresa Neves; Gennaro, Ane Kold Di
2009-01-01
Our group has previously shown that biomolecules containing disulfide bridges in close proximity to aromatic residues can be immobilized, through covalent bonds, onto thiol derivatized surfaces upon UV excitation of the aromatic residue(s). We have also previously shown that our new technology can...... be used to print arrays of biomolecules and to immobilize biomolecules according to any specific pattern on a planar substrates with micrometer scale resolution. In this paper we show that we can immobilize proteins according to diffraction patterns of UV light. We also show that the feature size...... of the immobilized patterns can be as small as the diffraction limit for the excitation light, and that the immobilized patterns correspond to the diffraction pattern used to generate it. The flexibility of this new technology will in principle make it possible to create any pattern of biomolecules onto a substrate...
Diffraction manipulation by four-wave mixing.
Katzir, Itay; Ron, Amiram; Firstenberg, Ofer
2015-03-09
We suggest a scheme to manipulate paraxial diffraction by utilizing the dependency of a four-wave mixing process on the relative angle between the light fields. A microscopic model for four-wave mixing in a Λ-type level structure is introduced and compared to recent experimental data. We show that images with feature size as low as 10 μm can propagate with very little or even negative diffraction. The mechanism is completely different from that conserving the shape of spatial solitons in nonlinear media, as here diffraction is suppressed for arbitrary spatial profiles. At the same time, the gain inherent to the nonlinear process prevents loss and allows for operating at high optical depths. Our scheme does not rely on atomic motion and is thus applicable to both gaseous and solid media.
Diffractive hadronic production of D mesons
MacKay, William Wallace [Univ. of Illinois, Urbana-Champaign, IL (United States). Dept. of Physcis
1980-01-01
This thesis reports on data taken in experiment E369 using the Chicago Cyclotron Spectrometer at Fermilab. A search for charmed D mesons was made using a beam of 217 GeV π^{-} incident on a liquid hydrogen target. The trigger required a recoil proton and a prompt muon. A total of 50 ± 12 charged D events were seen in the K^{±}π^{∓}π^{∓} channels and were split between the two channels in about equal amounts. Cuts were made which selected diffractive events, but when these cuts were removed the signal remained the same although the background was greatly increased. The Feynman x and angular distributions were consistent with diffractive production. A diffractive model yields a cross section of (6 -10) + 4 µb.
Forward energy flow and diffraction at ATLAS
Staroba, P; The ATLAS collaboration
2012-01-01
First measurements of forward energy flow and diffractive dissociation processes at ATLAS are presented. Measurements are based on 7 TeV minimum bias (7.1μb−1) and dijet (585μb−1) data samples taken during March-May 2010 in the low pileup accelerator setup. Measurement of transverse energy density as a function of pseudorapidity was performed using the full acceptance of ATLAS detectors. Stable charged particles with PT > 500 MeV and stable neutral particles with PT > 200 MeV were included. Manifestation of diffractive processes of three classes (single, double and central diffractive dissociation) was studied using inelastic differential cross section in forward rapidity gap size ΔηF bins. Experimental distributions are compared with several Monte Carlo predictions (PYTHIA6, PYTHIA8, PHOJET, HERWIG++ and EPOS) using different tunes.
Coherent Diffractive Imaging Using Randomly Coded Masks
Seaberg, Matthew H; Turner, Joshua J
2015-01-01
Coherent diffractive imaging (CDI) provides new opportunities for high resolution X-ray imaging with simultaneous amplitude and phase contrast. Extensions to CDI broaden the scope of the technique for use in a wide variety of experimental geometries and physical systems. Here, we experimentally demonstrate a new extension to CDI that encodes additional information through the use of a series of randomly coded masks. The information gained from the few additional diffraction measurements removes the need for typical object-domain constraints; the algorithm uses prior information about the masks instead. The experiment is performed using a laser diode at 532.2 nm, enabling rapid prototyping for future X-ray synchrotron and even free electron laser experiments. Diffraction patterns are collected with up to 15 different masks placed between a CCD detector and a single sample. Phase retrieval is performed using a convex relaxation routine known as "PhaseCut" followed by a variation on Fienup's input-output algorit...
Small angle electron diffraction and deflection
T. Koyama
2012-03-01
Full Text Available Electron optical system is constructed in order to obtain small angle diffraction and Lorentz deflection of electrons at the order of down to 10-6 radian in the reciprocal space. Long-distance camera length up to 3000 m is achieved in a conventional transmission electron microscope with LaB6 thermal emission type. The diffraction pattern at 5 × 10-6 radian is presented in a carbon replica grating with 500 nm lattice spacing while the magnetic deflection pattern at 2 × 10-5 radian is exhibited in Permalloy elements. A simultaneous recording of electron diffraction and Lorentz deflection is also demonstrated in 180 degree striped magnetic domains of La0.825Sr0.175MnO3.
Double diffraction in an atomic gravimeter
Malossi, Nicola; Merlet, Sébastien; Landragin, Arnaud; Santos, Franck Pereira Dos
2009-01-01
We demonstrate the realization of a new scheme for cold atom gravimetry based on the use of double diffraction beamsplitters recently demonstrated in \\cite{Leveque}, where the use of two retro-reflected Raman beams allows symmetric diffraction in $\\pm \\hbar k_{eff}$ momenta. Though in principle restricted to the case of zero Doppler shift, for which the two pairs of Raman beams are simultaneously resonant, we demonstrate that such diffraction pulses can remain efficient on atoms with non zero velocity, such as in a gravimeter, when modulating the frequency of one of the two Raman laser sources. We use such pulses to realize an interferometer insensitive to laser phase noise and some of the dominant systematics. This reduces the technical requirements and would allow the realization of a simple atomic gravimeter. We demonstrate a sensitivity of $1.2\\times10^{-7}g$ per shot.
Diffraction and interference of walking drops
Pucci, Giuseppe; Harris, Daniel M.; Bush, John W. M.
2016-11-01
A decade ago, Yves Couder and Emmanuel Fort discovered a wave-particle association on the macroscopic scale: a drop can bounce indefinitely on a vibrating bath of the same liquid and can be piloted by the waves that it generates. These walking droplets have been shown to exhibit several quantum-like features, including single-particle diffraction and interference. Recently, the original diffraction and interference experiments of Couder and Fort have been revisited and contested. We have revisited this system using an improved experimental set-up, and observed a strong dependence of the behavior on system parameters, including drop size and vibrational forcing. In both the single- and the double-slit geometries, the diffraction pattern is dominated by the interaction of the walking droplet with a planar boundary. Critically, in the double-slit geometry, the walking droplet is influenced by both slits by virtue of its spatially extended wave field. NSF support via CMMI-1333242.
QCD and Diffraction in the ATLAS Experiment at the LHC
Kepka, Oldrich; Kupco, A
2009-01-01
This thesis is devoted to study the hard diffractive and exclusive events at the experiment ATLAS. Right after the start-up of a new proton accelerator LHC in CERN they will be identified using the rapidity gap method. We therefore developed an alternative definition of the observed energy in the ATLAS calorimeter to identify diffractive and exclusive events. During the high luminosity operation of the accelerator, forward detectors (AFP) recently proposed to be installed far from the interaction point approaching the beam at few millimeters will allow to tag the intact scattered protons in these events unambiguously. The simplest exclusive production is due to the exchange of two photons. We implemented two-photon exchanges in FPMC generator and analyzed the two-photon production of $W$ and $Z$-pairs decaying leptonically to calculate sensitivities on triple and quartic anomalous gauge couplings of electroweak boson to photons. The obtained results are remarkable mainly for the quartic couplings. Their curre...
Structured illumination for tomographic X-ray diffraction imaging.
Greenberg, Joel A; Hassan, Mehadi; Krishnamurthy, Kalyani; Brady, David
2014-02-21
Tomographic imaging of the molecular structure of an object is important for a variety of applications, ranging from medical and industrial radiography to security screening. X-ray diffraction imaging is the preeminent technique for performing molecular analysis of large volumes. Here we propose and demonstrate a new measurement architecture to improve the source and detector efficiency for diffraction imaging. In comparison with previous techniques, our approach reduces the required overall scan time by 1-2 orders of magnitude, which makes possible real-time scanning of a broad range of materials over a large volume using a table-top setup. This method, which relies on structuring spatially the illumination incident on an object moving relative to the X-ray source, is compatible with existing systems and has the potential to significantly enhance performance in an array of areas, such as medical diagnostic imaging and explosives detection.
High Pressure X-Ray Diffraction Studies on Nanocrystalline Materials
Palosz, B.; Stelmakh, S.; Grzanka, E.; Gierlotka, S.; Pielaszek, R.; Bismayer, U.; Werner, S.; Palosz, W.
2003-01-01
Application of in situ high pressure powder diffraction technique for examination of specific structural properties of nanocrystals based on the experimental data of SiC nanocrystalline powders of 2 to 30 nrn diameter in diameter is presented. Limitations and capabilities of the experimental techniques themselves and methods of diffraction data elaboration applied to nanocrystals with very small dimensions (< 30 nm) are discussed. It is shown that due to the complex structure, constituting a two-phase, core/surface shell system, no unique lattice parameter value and, consequently, no unique compressibility coefficient can satisfactorily describe the behavior of nanocrystalline powders under pressure. We offer a tentative interpretation of the distribution of macro- and micro-strains in nanoparticles of different grain size.
Spectroscopic imaging, diffraction, and holography with x-ray photoemission
1992-02-01
X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimental fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.
Human eye visual hyperacuity: Controlled diffraction for image resolution improvement
Lagunas, A.; Domínguez, O.; Martinez-Conde, S.; Macknik, S. L.; Del-Río, C.
2017-09-01
The Human Visual System appears to be using a low number of sensors for image capturing, and furthermore, regarding the physical dimensions of cones—photoreceptors responsible for the sharp central vision—we may realize that these sensors are of a relatively small size and area. Nonetheless, the human eye is capable of resolving fine details thanks to visual hyperacuity and presents an impressive sensitivity and dynamic range when set against conventional digital cameras of similar characteristics. This article is based on the hypothesis that the human eye may be benefiting from diffraction to improve both image resolution and acquisition process. The developed method involves the introduction of a controlled diffraction pattern at an initial stage that enables the use of a limited number of sensors for capturing the image and makes possible a subsequent post-processing to improve the final image resolution.
Studies on coherence and decoherence in Fast Atom Diffraction
Seifert, J.; Lienemann, J. [Institut für Physik der Humboldt-Universität zu Berlin, Newtonstraße 15, D-12489 Berlin (Germany); Schüller, A. [Physikalisch-Technische Bundesanstalt (PTB), AG 6.21, Bundesallee 100, D-38116 Braunschweig (Germany); Winter, H., E-mail: winter@physik.hu-berlin.de [Institut für Physik der Humboldt-Universität zu Berlin, Newtonstraße 15, D-12489 Berlin (Germany)
2015-05-01
A few years ago, quantum effects were observed for the scattering of fast atoms from surfaces under a grazing angle of incidence. We discuss basic features of Fast Atom Diffraction (FAD) which adds a further powerful method to the established tools in ion beam analysis and surface science. Attractive features of FAD in studies on the structure of surfaces comprise negligible radiation damage, cost effective operation of the complete setup, no charging effects in studies with insulators, and an extreme sensitivity to the topmost layer of surface atoms. The observation of diffraction patterns is based on the quantum coherence which is preserved during the scattering process with the target surface. We will discuss basic features of the coherence phenomena and its role for the observation of quantum effects in the angular distributions for grazingly scattered atoms. In a comparison of data obtained for H and He atoms we demonstrate that two different mechanisms for decoherence are important.
Single Particle X-ray Diffractive Imaging
Bogan, M J; Benner, W H; Boutet, S; Rohner, U; Frank, M; Seibert, M; Maia, F; Barty, A; Bajt, S; Riot, V; Woods, B; Marchesini, S; Hau-Riege, S P; Svenda, M; Marklund, E; Spiller, E; Hajdu, J; Chapman, H N
2007-10-01
In nanotechnology, strategies for the creation and manipulation of nanoparticles in the gas phase are critically important for surface modification and substrate-free characterization. Recent coherent diffractive imaging with intense femtosecond X-ray pulses has verified the capability of single-shot imaging of nanoscale objects at sub-optical resolutions beyond the radiation-induced damage threshold. By intercepting electrospray-generated particles with a single 15 femtosecond soft-X-ray pulse, we demonstrate diffractive imaging of a nanoscale specimen in free flight for the first time, an important step toward imaging uncrystallized biomolecules.
Glancing angle synchrotron X-ray diffraction
Cernik, R.J. [Daresbury Lab., Warrington, WA (United States)
1996-09-01
This paper describes in basic detail some of the techniques that can be used to study thin films and surfaces. These are all in the X-ray region and cover reflectivity, diffraction form polycrystalline films, textured films and single crystal films. Other effects such as fluorescence and diffuse scattering are mentioned but not discussed in detail. Two examples of the reflectivity from multilayers and the diffraction from iron oxide films are discussed. The advantages of the synchrotron for these studies is stressed and the experimental geometries that can be employed are described i detail. A brief bibliography is provided at the end to accompany this part of the 1996 Frascati school.
Diffraction manipulation by four-wave mixing
Katzir, Itay; Firstenberg, Ofer
2014-01-01
We suggest a scheme to manipulate paraxial diffraction by utilizing the dependency of a four-wave mixing process on the relative angle between the light fields. A microscopic model for four-wave mixing in a Lambda-type level structure is introduced and compared to recent experimental data. We show that images with feature size as low as 10 micrometers can propagate with very little or even negative diffraction. The inherent gain prevents loss and allows for operating at high optical depths. Our scheme does not rely on atomic motion and is thus applicable to both gaseous and solid media.
Atoms in static fields Chaos or Diffraction?
Dando, P A
1998-01-01
A brief review of the manifestations of classical chaos observed in atomic systems is presented. Particular attention is paid to the analysis of atomic spectra by periodic orbit-type theories. For diamagnetic non-hydrogenic Rydberg atoms, the dynamical explanation for observed spectral features has been disputed. By building on our previous work on the photoabsorption spectrum, we show how, by the addition of diffractive terms, the spectral fluctuations in the energy level spectrum of general Rydberg atoms can be obtained with remarkable precision from the Gutzwiller trace formula. This provides further evidence that non-hydrogenic systems are most naturally described in terms of diffraction rather than classical chaos.
Multiorder nonlinear diffraction in frequency doubling processes
Saltiel, Solomon M.; Neshev, Dragomir N.; Krolikowski, Wieslaw
2009-01-01
We analyze experimentally light scattering from 2 nonlinear gratings and observe two types of second-harmonic frequency-scattering processes. The first process is identified as Raman–Nath type nonlinear diffraction that is explained by applying only transverse phase-matching conditions. The angular...... position of this type of diffraction is defined by the ratio of the second-harmonic wavelength and the grating period. In contrast, the second type of nonlinear scattering process is explained by the longitudinal phase matching only, being insensitive to the nonlinear grating...
Factorization breaking in diffractive dijet photoproduction
Klasen, M. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik]|[Centre National de la Recherche Scientifique, 38 - Grenoble (France). Univ. Joseph Fourier, Lab. de Physique Subatomique et de Cosmologie; Kramer, G. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik
2004-08-01
We have calculated the diffractive dijet cross section in low-Q{sup 2} ep scattering in the HERA regime. The results of the calculation in LO and NLO are compared to recent experimental data of the H1 collaboration. We find that in LO the calculated cross sections are in reasonable agreement with the experimental results. In NLO, however, some of the cross sections disagree, showing that factorization breaking occurs in that order. By suppressing the resolved contribution by a factor of approximately three, good agreement with all the data is found. The size of the factorization breaking effects in diffractive dijet photoproduction agrees well with absorptive model predictions. (orig.)
Factorization breaking in diffractive dijet photoproduction
Klasen, M. [Universite Joseph Fourier, CNRS-IN2P3, Laboratoire de Physique Subatomique et de Cosmologie, Grenoble (France); Universitaet Hamburg, II. Institut fuer Theoretische Physik, Hamburg (Germany); Kramer, G. [Universitaet Hamburg, II. Institut fuer Theoretische Physik, Hamburg (Germany)
2004-12-01
We have calculated the diffractive dijet cross section in low-Q{sup 2} ep scattering in the HERA regime. The results of the calculation in LO and NLO are compared to recent experimental data of the H1 Collaboration. We find that in LO the calculated cross sections are in reasonable agreement with the experimental results. In NLO, however, some of the cross sections disagree, showing that factorization breaking occurs in that order. By suppressing the resolved contribution by a factor of approximately three, good agreement with all the data is found. The size of the factorization breaking effects in diffractive dijet photoproduction agrees well with absorptive model predictions. (orig.)
Diffraction of sound by nearly rigid barriers
Hadden, W. J., Jr.; Pierce, A. D.
1976-01-01
The diffraction of sound by barriers with surfaces of large, but finite, acoustic impedance was analyzed. Idealized source-barrier-receiver configurations in which the barriers may be considered as semi-infinite wedges are discussed. Particular attention is given to situations in which the source and receiver are at large distances from the tip of the wedge. The expression for the acoustic pressure in this limiting case is compared with the results of Pierce's analysis of diffraction by a rigid wedge. An expression for the insertion loss of a finite impedance barrier is compared with insertion loss formulas which are used extensively in selecting or designing barriers for noise control.
Focusing of light beyond the diffraction limit
Chen, K R
2009-01-01
Diffraction limits the behaviour of light in optical systems and sets the smallest achievable line width at half the wavelength. With a novel subwavelength plasmonic lens to reduce the diffraction via an asymmetry and to generate and squeeze the wave functions, an incident light is focused by the aperture to a single-line with its width beyond the limit outside the near zone. The fields focused are radiative and capable of propagating to the far zone. The light focusing process, besides being of academic interest, is expected to open up a wide range of application possibilities.
Wave diffraction by a cosmic string
Fernández-Núñez, Isabel
2016-01-01
We show that if a cosmic string exists, it may be identified through characteristic diffraction pattern in the energy spectrum of the observed signal. In particular, if the string is on the line of sight, the wave field is shown to fit the Cornu spiral. We suggest a simple procedure, based on Keller's geometrical theory of diffraction, which allows to explain wave effects in conical spacetime of a cosmic string in terms of interference of four characteristic rays. Our results are supposed to be valid for scalar massless waves, including gravitational waves, electromagnetic waves, or even sound in case of condensed matter systems with analogous topological defects.
Parabolic non-diffracting beams: geometrical approach
Sosa-Sánchez, Citlalli Teresa; Silva-Ortigoza, Gilberto; Alejandro Juárez-Reyes, Salvador; de Jesús Cabrera-Rosas, Omar; Espíndola-Ramos, Ernesto; Julián-Macías, Israel; Ortega-Vidals, Paula
2017-08-01
The aim of this work is to present a geometrical characterization of parabolic non-diffracting beams. To this end, we compute the corresponding angular spectrum of the separable non-diffracting parabolic beams in order to determine the one-parameter family of solutions of the eikonal equation associated with this type of beam. Using this information, we compute the corresponding wavefronts and caustic, and find that qualitatively the caustic corresponds to the maximum of the intensity pattern and the wavefronts are deformations of conical surfaces.
Wave diffraction by a cosmic string
Fernández-Núñez, Isabel; Bulashenko, Oleg
2016-08-01
We show that if a cosmic string exists, it may be identified through characteristic diffraction pattern in the energy spectrum of the observed signal. In particular, if the string is on the line of sight, the wave field is shown to fit the Cornu spiral. We suggest a simple procedure, based on Keller's geometrical theory of diffraction, which allows to explain wave effects in conical spacetime of a cosmic string in terms of interference of four characteristic rays. Our results are supposed to be valid for scalar massless waves, including gravitational waves, electromagnetic waves, or even sound in case of condensed matter systems with analogous topological defects.
Quantitative damage imaging using Lamb wave diffraction tomography
Zhang, Hai-Yan; Ruan, Min; Zhu, Wen-Fa; Chai, Xiao-Dong
2016-12-01
In this paper, we investigate the diffraction tomography for quantitative imaging damages of partly through-thickness holes with various shapes in isotropic plates by using converted and non-converted scattered Lamb waves generated numerically. Finite element simulations are carried out to provide the scattered wave data. The validity of the finite element model is confirmed by the comparison of scattering directivity pattern (SDP) of circle blind hole damage between the finite element simulations and the analytical results. The imaging method is based on a theoretical relation between the one-dimensional (1D) Fourier transform of the scattered projection and two-dimensional (2D) spatial Fourier transform of the scattering object. A quantitative image of the damage is obtained by carrying out the 2D inverse Fourier transform of the scattering object. The proposed approach employs a circle transducer network containing forward and backward projections, which lead to so-called transmission mode (TMDT) and reflection mode diffraction tomography (RMDT), respectively. The reconstructed results of the two projections for a non-converted S0 scattered mode are investigated to illuminate the influence of the scattering field data. The results show that Lamb wave diffraction tomography using the combination of TMDT and RMDT improves the imaging effect compared with by using only the TMDT or RMDT. The scattered data of the converted A0 mode are also used to assess the performance of the diffraction tomography method. It is found that the circle and elliptical shaped damages can still be reasonably identified from the reconstructed images while the reconstructed results of other complex shaped damages like crisscross rectangles and racecourse are relatively poor. Project supported by the National Natural Science Foundation of China (Grant Nos. 11474195, 11274226, 11674214, and 51478258).
Future of Electron Scattering and Diffraction
Hall, Ernest [GE Global Research, Niskayuna, New York (United States); Stemmer, Susanne [Univ. of California, Santa Barbara, CA (United States); Zheng, Haimei [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zhu, Yimei [Brookhaven National Lab. (BNL), Upton, NY (United States); Maracas, George [Dept. of Energy (DOE), Washington DC (United States). Office of Science
2014-02-25
spectroscopy with high spatial resolution without damaging their structure. The strong interaction of electrons with matter allows high-energy electron pulses to gather structural information before a sample is damaged. Electron ScatteringImaging, diffraction, and spectroscopy are the fundamental capabilities of electron-scattering instruments. The DOE BES-funded TEAM (Transmission Electron Aberration-corrected Microscope) project achieved unprecedented sub-atomic spatial resolution in imaging through aberration-corrected transmission electron microscopy. To further advance electron scattering techniques that directly enable groundbreaking science, instrumentation must advance beyond traditional two-dimensional imaging. Advances in temporal resolution, recording the full phase and energy spaces, and improved spatial resolution constitute a new frontier in electron microscopy, and will directly address the BES Grand Challenges, such as to “control the emergent properties that arise from the complex correlations of atomic and electronic constituents” and the “hidden states” “very far away from equilibrium”. Ultrafast methods, such as the pump-probe approach, enable pathways toward understanding, and ultimately controlling, the chemical dynamics of molecular systems and the evolution of complexity in mesoscale and nanoscale systems. Central to understanding how to synthesize and exploit functional materials is having the ability to apply external stimuli (such as heat, light, a reactive flux, and an electrical bias) and to observe the resulting dynamic process in situ and in operando, and under the appropriate environment (e.g., not limited to UHV conditions). To enable revolutionary advances in electron scattering and science, the participants of the workshop recommended three major new instrumental developments: A. Atomic-Resolution Multi-Dimensional Transmission Electron Microscope: This instrument would provide quantitative information over the entire real space
Chen, Wen; Chen, Xudong; Sheppard, Colin J R
2012-02-13
We propose a new method using coherent diffractive imaging for optical color-image encryption and synthesis in the Fresnel domain. An optical multiple-random-phase-mask encryption system is applied, and a strategy based on lateral translations of a phase-only mask is employed during image encryption. For the decryption, an iterative phase retrieval algorithm is applied to extract high-quality decrypted color images from diffraction intensity maps (i.e., ciphertexts). In addition, optical color-image synthesis is also investigated based on coherent diffractive imaging. Numerical results are presented to demonstrate feasibility and effectiveness of the proposed method. Compared with conventional interference methods, coherent diffractive imaging approach may open up a new research perspective or can provide an effective alternative for optical color-image encryption and synthesis.
Corrective optics for diffraction of {gamma}-rays
Materna, T. [Nuclear Physics Institute, University of Cologne, Zuelpicher Str. 77, D-50937 Cologne (Germany) and Institut Laue-Langevin, F-38042 Grenoble, Cedex 9 (France)]. E-mail: materna@ill.fr; Bruyneel, B. [Nuclear Physics Institute, University of Cologne, Zuelpicher Str. 77, D-50937 Cologne (Germany); Jolie, J. [Nuclear Physics Institute, University of Cologne, Zuelpicher Str. 77, D-50937 Cologne (Germany); Linnemann, A. [Nuclear Physics Institute, University of Cologne, Zuelpicher Str. 77, D-50937 Cologne (Germany); Warr, N. [Nuclear Physics Institute, University of Cologne, Zuelpicher Str. 77, D-50937 Cologne (Germany); Boerner, H.G. [Institut Laue-Langevin, F-38042 Grenoble, Cedex 9 (France); Jentschel, M. [Institut Laue-Langevin, F-38042 Grenoble, Cedex 9 (France); Mutti, P. [Institut Laue-Langevin, F-38042 Grenoble, Cedex 9 (France); Simpson, G. [Institut Laue-Langevin, F-38042 Grenoble, Cedex 9 (France)
2006-12-21
A new method to correct imperfect bending of curved crystals used for {gamma}-ray diffraction spectroscopy is presented. It relies on using position-sensitive segmented Ge-detectors and permits the determination of the emission area of each {gamma}-ray from the crystals and therefore an off-line correction of bending imperfections as if the crystals were divided into independent 2x2 mm{sup 2} bent crystals. A first experiment using the GAMS-5 spectrometer (Institut Laue-Langevin) shows proof of the principle of the method.
袁珂; 廖立兵; 万红波; 王川; 王春伟
2011-01-01
采用X射线衍射定量分析法的外标法和K值法(基体清洗法),对21个膨润土样品中的方石英和α-石英物相进行了定量分析,通过验证实验,对外标法和K值法的定量精度进行了评估.分析结果表明:对于同一种物相,外标法的定量分析结果均大于K值法,2种方法定量分析同一物相的差值随检测相含量的增加而增大;由于基体吸收效应的影响,外标法的定量误差无规律性且无法通过实验消除.K值法的误差主要来源于K值的误差.采用了一种作图求取K值的方法,用该法求取的K值进行分析,精度明显提高,并远高于外标法的分析精度.%X-ray diffraction methods including external standard method and K-value method (matrix flushing method) were used to quantify the cristobalite and a-quartz in 21 bentonite samples. Verification test of the samples with known mineral composition was performed to evaluate the accuracy of the two methods. The results show that the contents of cristobalite and a-quartz determined by the external standard method are higher than that by K-value method. The differences of the same phase contents measured by the two methods increase with the phase content. The error and its irregularity of external standard method result from the matrix absorption effect, which cannot be avoided in the experiment. The error of K-value method, however, is caused by the inaccuracy of K-values.Adopting the K-values determined by a mapping method, the accuracy of matrix flushing method is significantly improved, and it is much higher than that of external standard method.
Ultrafast molecular processes mapped by femtosecond x-ray diffraction
Elsaesser, Thomas
2012-02-01
X-ray diffraction with a femtosecond time resolution allows for mapping photoinduced structural dynamics on the length scale of a chemical bond and in the time domain of atomic and molecular motion. In a pump-probe approach, a femtosecond excitation pulse induces structural changes which are probed by diffracting a femtosecond hard x-ray pulse from the excited sample. The transient angular positions and intensities of diffraction peaks give insight into the momentary atomic or molecular positions and into the distribution of electronic charge density. The simultaneous measurement of changes on different diffraction peaks is essential for determining atom positions and charge density maps with high accuracy. Recent progress in the generation of ultrashort hard x-ray pulses (Cu Kα, wavelength λ=0.154 nm) in laser-driven plasma sources has led to the implementation of the powder diffraction and the rotating crystal method with a time resolution of 100 fs. In this contribution, we report new results from powder diffraction studies of molecular materials. A first series of experiments gives evidence of a so far unknown concerted transfer of electrons and protons in ammonium sulfate [(NH4)2SO4], a centrosymmetric structure. Charge transfer from the sulfate groups results in the sub-100 fs generation of a confined electron channel along the c-axis of the unit cell which is stabilized by transferring protons from the adjacent ammonium groups into the channel. Time-dependent charge density maps display a periodic modulation of the channel's charge density by low-frequency lattice motions with a concerted electron and proton motion between the channel and the initial proton binding site. A second study addresses atomic rearrangements and charge dislocations in the non-centrosymmetric potassium dihydrogen phosphate [KH2PO4, KDP]. Photoexcitation generates coherent low-frequency motions along the LO and TO phonon coordinates, leaving the average atomic positions unchanged
Diffraction in ALICE and trigger efficiencies
Navin, Sparsh; Lietava, Roman
ALICE is built to measure the properties of strongly interacting matter created in heavy-ion collisions. In addition, taking advantage of the low pT acceptance in the central barrel, ALICE is playing an important role in understanding pp collisions with minimum bias triggers at LHC energies. The work presented in this thesis is based on pp data simulated by the ALICE collaboration and early data collected at a center-of-mass energy of 7 TeV. A procedure to calculate trigger efficiencies and an estimate of the systematic uncertainty due to the limited acceptance of the detector are shown. A kinematic comparison between Monte Carlo event generators, PYTHIA 6, PYTHIA 8 and PHOJET is also presented. To improve the description of diffraction in PYTHIA, a hard diffractive component was added to PYTHIA 8 in 2009, which is described. Finally a trigger with a high efficiency for picking diffractive events is used to select a sample with an enhanced diffractive component from pp data. These data are compared to Monte ...
Diffractive Pedagogies: Dancing across New Materialist Imaginaries
Hickey-Moody, Anna; Palmer, Helen; Sayers, Esther
2016-01-01
We theorise an interdisciplinary arts practice university course and consider the forms of educational imaginary challenged by our curriculum. We argue for the disruptive and generative potential of what we call diffractive pedagogy as an example of the type of learning that can take place when materiality and entanglement are considered as vital…
Diffraction Anomalous Near-Edge Structure
Moltaji, Habib O., Jr.
1995-11-01
To determine the atomic structure about atom of an element in a sample of a condensed multicomponent single crystal, contrast radiation is proposed with the use of Diffraction Anomalous Near-Edge Structure (DANES), which combines the long-range order sensitivity of the x-ray diffraction and short-range order of the x-ray absorption near-edge techniques. This is achieved by modulating the photon energy of the x-ray beam incident on the sample over a range of energies near an absorption edge of the selected element. Due to anomalous dispersion, x-ray diffraction, and x-ray absorption, the DANES intensity with respect to the selected element is obtained in a single experiment. I demonstrate that synchrotron DANES measurements for the single crystal of thin film and the powder samples and provide the same local atomic structural information as the x-ray absorption near-edge with diffraction condition and can be used to provide enhanced site selectivity. I demonstrate calculations of DAFS intensity and measurements of polarized DANES and XANES intensity.
Diffractive leptoproduction of small masses in QCD
Gotsman, Errol; Maor, Uri [Tel Aviv Univ. (Israel). Raymond and Sackler Faculty of Exact Sciences. School of Physics and Astronomy; Levin, Eugene [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)]|[Petersburg Nuclear Physics Inst., St. Petersburg (Russian Federation). Theory Dept.
1996-05-01
In this paper we consider the process of diffraction dissociation in deeply inelastic scattering in the region of small produced mass, which we define as production of q-bar q-pair and q-bar q G system in the final state. We show that the small distance contributions (r perpendicular is proportional to 1/Q) to the longitudinal polarised virtual photon dominate. Formulae for the cross section using the gluon structure function are written within the framework of perturbative QCD. It is shown that the production of small masses by the transverse polarized photo is concentrated at moderate values of r perpendicular to {approx} 1 GeV{sup -1}, where the p QCD approach can be applied. This could be responsible for a considerable part of the diffractive production. It is shown that only q-bar q pair production contribute to the diffraction dissociation at {beta} > 0.4, the possibility to extract the value of the gluon structure function from the measurements in this kinematic region is discussed. The evolution of the DD structure function is studied, and a solution to the DD evolution equations is proposed. Shadowing corrections are discussed for both the transverse and longitudinal polarised photon, and estimates of the different damping factors are given. The relation between diffractive production and the corrections to F2, is alluded to. (author). 45 refs., 16 figs.
GENERALIZED FRESNEL DIFFRACTION INTEGRAL AND ITS APPLICATIONS
YANG JUN; FAN DIAN-YUAN; WANG SHI-JI; GU YUAN
2000-01-01
Within the generalized definition of ABCDGH matrices, the conventional ABCDGH diffraction integral is ex-tended for a misaligned complex paraxial system with a curved optical axis. On this basis the transformation lawfor Gaussian-Schell model beams through an ABCDGH systems is derived, the propagation behavior of the mutualcoherence function through ABCDGH systems in the presence of random media is investigated as well.
Doubly diffracted ray from a hard quarterplane
Albertsen, Niels Christian
2000-01-01
The scattering of the electromagnetic field from a half wave dipole source around a quarterplane can be calculated from the solutions to two scalar problems, one with a soft quarterplane and one with a hard quarterplane. In both cases, a doubly diffracted ray may exist, but only in the case of th...