Relevant bibliographies by topics / X-Ray Dynamical Diffraction Theory

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
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  6. Reports

Academic literature on the topic 'X-Ray Dynamical Diffraction Theory'

Author: Grafiati
Published: 28 May 2022
Last updated: 18 July 2025

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Journal articles on the topic "X-Ray Dynamical Diffraction Theory"

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Abe, Marina, Ryo Suzuki, Kenichi Kojima, and Masaru Tachibana. "Evaluation of crystal quality of thin protein crystals based on the dynamical theory of X-ray diffraction." IUCrJ 7, no. 4 (2020): 761–66. http://dx.doi.org/10.1107/s2052252520007393.

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Knowledge of X-ray diffraction in macromolecular crystals is important for not only structural analysis of proteins but also diffraction physics. Dynamical diffraction provides evidence of perfect crystals. Until now, clear dynamical diffraction in protein crystals has only been observed in glucose isomerase crystals. We wondered whether there were other protein crystals with high quality that exhibit dynamical diffraction. Here we report the observation of dynamical diffraction in thin ferritin crystals by rocking-curve measurement and imaging techniques such as X-ray topography. It is generally known that in the case of thin crystals it is difficult to distinguish whether dynamical diffraction occurs from only rocking-curve profiles. Therefore, our results clarified that dynamical diffraction occurs in thin protein crystals because fringe contrasts similar to Pendellösung fringes were clearly observed in the X-ray topographic images. For macromolecular crystallography, it is hard to obtain large crystals because they are difficult to crystallize. For thin crystals, dynamical diffraction can be demonstrated by analysis of the equal-thickness fringes observed by X-ray topography.
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Macrander, Albert. "Takagi–Taupin dynamical X-ray diffraction simulations of asymmetric X-ray diffraction from crystals: the effects of surface undulations." Journal of Applied Crystallography 53, no. 3 (2020): 793–99. http://dx.doi.org/10.1107/s1600576720005178.

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Dynamical X-ray diffraction simulations from crystals with surface undulations are reported. The Takagi–Taupin equations are applied and used to derive results in good agreement with experimental data reported in a separate paper [Macrander, Pereira, Huang, Kasman, Qian, Wojcik & Assoufid (2020). J. Appl. Cryst. 53, 789–792]. The development of Uragami [J. Phys. Soc. Jpn, (1969), 27, 147–154] is followed. Although previous work by Olekhnovich & Olekhnovich [Acta. Cryst. (1980), A36, 22–27] treated a crystal in the shape of a round cylinder, there do not seem to be any reports of previous dynamical X-ray diffraction treatments specifically for surface undulations. The significance of the present work is that it bridges the diffraction treatment of more classical dynamical diffraction theory, which assumes a flat surface, and the simple kinematic diffraction theory. The kinematic theory has, to date, been the primary means of simulating X-ray diffraction from surfaces.
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Fewster, Paul F. "The Limits of X-ray Diffraction Theory." Crystals 13, no. 3 (2023): 521. http://dx.doi.org/10.3390/cryst13030521.

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X-ray diffraction theory allows the interpretation of experiments to build a structural model that fits the collected data. As with any experimental science, the observations are subject to uncertainty through the instrument and user limitations. Similarly, the theory can never be perfectly complete; it will have limits, and therefore the resultant model will have uncertainties associated with it. This article discusses the limits of X-ray kinematical and dynamical diffraction theories. These are not the only theories, but are the most widely used. These theories are often extended to accommodate new findings, which can reach the stage at which their fundamental premise is clouded. At that point, the theory requires a rethink. There should be nothing sacrosanct about a theory; it should represent the best usable explanation that will allow a good interpretation of the data. Both kinematical and dynamical theories assume that the X-rays see an average structure, which is not what a photon experiences. The observed diffraction pattern is the average of the diffraction patterns created by all the photons, which is not the same as the diffraction pattern from the average structure. Accounting for this has a profound influence on the interpretation of the data.
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Balyan, Minas K. "X-ray dynamical diffraction analogues of the integer and fractional Talbot effects." Journal of Synchrotron Radiation 26, no. 5 (2019): 1650–59. http://dx.doi.org/10.1107/s1600577519009196.

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The X-ray integer and fractional Talbot effect is studied under two-wave dynamical diffraction conditions in a perfect crystal, for the symmetrical Laue case of diffraction. The fractional dynamical diffraction Talbot effect is studied for the first time. A theory of the dynamical diffraction integer and fractional Talbot effect is given, introducing the dynamical diffraction comb function. An expression for the dynamical diffraction polarization-sensitive Talbot distance is established. At the rational multiple depths of the Talbot depth the wavefield amplitude for each dispersion branch is a coherent sum of the initial distributions, shifted by rational multiples of the object period and having its own phases. The simulated dynamical diffraction Talbot carpet for the Ronchi grating is presented.
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Yan, Hanfei, Hyon Chol Kang, Ray Conley, et al. "Multilayer Laue Lens: A Path Toward One Nanometer X-Ray Focusing." X-Ray Optics and Instrumentation 2010 (December 8, 2010): 1–10. http://dx.doi.org/10.1155/2010/401854.

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The multilayer Laue lens (MLL) is a novel diffractive optic for hard X-ray nanofocusing, which is fabricated by thin film deposition techniques and takes advantage of the dynamical diffraction effect to achieve a high numerical aperture and efficiency. It overcomes two difficulties encountered in diffractive optics fabrication for focusing hard X-rays: (1) small outmost zone width and (2) high aspect ratio. Here, we will give a review on types, modeling approaches, properties, fabrication, and characterization methods of MLL optics. We show that a full-wave dynamical diffraction theory has been developed to describe the dynamical diffraction property of the MLL and has been employed to design the optimal shapes for nanofocusing. We also show a 16 nm line focus obtained by a partial MLL and several characterization methods. Experimental results show a good agreement with the theoretical calculations. With the continuing development of MLL optics, we believe that an MLL-based hard x-ray microscope with true nanometer resolution is on the horizon.
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Podorov, S. G., N. N. Faleev, K. M. Pavlov, D. M. Paganin, S. A. Stepanov, and E. Förster. "A new approach to wide-angle dynamical X-ray diffraction by deformed crystals." Journal of Applied Crystallography 39, no. 5 (2006): 652–55. http://dx.doi.org/10.1107/s0021889806025696.

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A new approach is proposed for X-ray dynamical diffraction theory in distorted crystals. The theory allows one to perform dynamical diffraction simulations between Bragg peaks for non-ideal crystals, using a simple approach of two distorted waves. It can be directly applied for reciprocal-space simulation. The formalism is used to analyse high-resolution X-ray diffraction data, obtained for an InSb/InGaSb/InSb/InAs superlattice grown on top of a GaSb buffer layer on a (001) GaSb substrate.
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Chung, Jin-Seok, and Stephen M. Durbin. "Temperature-dependent X-ray dynamical diffraction: Darwin theory simulations." Acta Crystallographica Section A Foundations of Crystallography 55, no. 1 (1999): 14–19. http://dx.doi.org/10.1107/s0108767398006898.

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Thermal vibrations destroy the perfect crystalline periodicity generally assumed by dynamical diffraction theories. This can lead to some difficulty in deriving the temperature dependence of X-ray reflectivity from otherwise perfect crystals. This difficulty is overcome here in numerical simulations based on the extended Darwin theory, which does not require periodicity. Using Si and Ge as model materials, it is shown how to map the lattice vibrations derived from measured phonon dispersion curves onto a suitable Darwin model. Good agreement is observed with the usual Debye–Waller behavior predicted by standard theories, except at high temperatures for high-order reflections. These deviations are discussed in terms of a possible breakdown of the ergodic hypothesis for X-ray diffraction.
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Punegov, Vasily I. "The dynamical theory of diffraction in a crystal modulated by a surface acoustic wave in the case of spatially restricted X-ray beams." Journal of Applied Crystallography 52, no. 6 (2019): 1289–98. http://dx.doi.org/10.1107/s1600576719012603.

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The dynamical theory of X-ray diffraction in a crystal modulated by a surface acoustic wave (SAW) is developed for spatially restricted beams. It is shown that this approach is applicable to X-ray reciprocal space mapping. Rayleigh's surface-wave model is used to describe ultrasonic excitation. Based on the recurrent relations, a numerical simulation of the dynamical diffraction in a crystal modulated by a SAW is performed. Within the framework of the triple-axis diffraction scheme, the effect of the instrumental function on X-ray diffraction data is studied.
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Magalhães, S., J. S. Cabaço, J. P. Araújo, and E. Alves. "Multiple reflection optimization package for X-ray diffraction." CrystEngComm 23, no. 18 (2021): 3308–18. http://dx.doi.org/10.1039/d1ce00204j.

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Ohler, Michael, and Jürgen Härtwig. "Theory of moiré fringes on X-ray diffraction topographs of bicrystals." Acta Crystallographica Section A Foundations of Crystallography 55, no. 3 (1999): 413–22. http://dx.doi.org/10.1107/s0108767398010514.

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The theory of moiré fringes on X-ray diffraction topographs of bicrystals is derived from the dynamical theory of X-ray diffraction for the reflection (Bragg) and the transmission (Laue) case. The influence on the moiré fringes of the diffraction geometry, of the geometry of the sample, of its optical properties and of the topographic method is investigated. The perfect-crystal theory is also expanded to weakly deformed bicrystals.
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Dissertations / Theses on the topic "X-Ray Dynamical Diffraction Theory"

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Moreno, Carrascosa Andrés. "Theory of elastic and inelastic X-ray scattering." Thesis, University of Edinburgh, 2018. http://hdl.handle.net/1842/31442.

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X-rays have been widely exploited to unravel the structure of matter since their discovery in 1895. Nowadays, with the emergence of new X-ray sources with higher intensity and very short pulse duration, notably X-ray Free Electron Lasers, the number of experiments that may be considered in the X-ray regime has increased dramatically, making the characterization of gas phase atoms and molecules in space and time possible. This thesis explores in the theoretical analysis and calculation of X-ray scattering atoms and molecules, far beyond the independent atom model. Amethod to calculate inelastic X-ray scattering from atoms and molecules is presented. The method utilizes electronic wavefunctions calculated using ab-initio electronic structure methods. Wavefunctions expressed in Gaussian type orbitals allow for efficient calculations based on analytical Fourier transforms of the electron density and overlap integrals. The method is validated by extensive calculations of inelastic cross-sections in H, He+, He, Ne, C, Na and N2. The calculated cross-sections are compared to cross-sections from inelastic X-ray scattering experiments, electron energy-loss spectroscopy, and theoretical reference values. We then begin to account for the effect of nuclear motion, in the first instance by predicting elastic X-ray scattering from state-selected molecules. We find strong signatures corresponding to the specific vibrational and rotational state of (polyatomic) molecules. The ultimate goal of this thesis is to study atomic and molecular wavepackets using time-resolved X-ray scattering. We present a theoretical framework based on quantum electrodynamics and explore various elastic and inelastic limits of the scattering expressions. We then explore X-ray scattering from electronic wavepackets, following on from work by other groups, and finally examine the time-resolved X-ray scattering from non-adiabatic electronic-nuclear wavepackets in the H2 molecule, demonstrating the importance of accounting for the inelastic effects.
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Olikhovskii, S. I., O. S. Skakunova, V. B. Molodkin, E. G. Len, B. K. Ostafiychuk, and V. M. Pylypiv. "Simulation of Reciprocal Space Maps for Thin Ion-Implanted Layers in Yttrium-Iron Garnet Films with Defects." Thesis, Sumy State University, 2015. http://essuir.sumdu.edu.ua/handle/123456789/42642.

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Numerical simulation of the reciprocal space maps measured from the ion-implanted single-crystal yttrium-iron garnet films on gadolinium-gallium garnet substrate has been carried out basing on the theoretical model of the triple-crystal dynamical diffractometry of crystalline multilayer systems with inhomogeneous strain distributions and randomly distributed defects. The presence of growth defects in both film and substrate as well as radiation defects created in subsurface layer of nanometer-scale thickness after 90 keV F+ ion implantation was taken into account in the proposed model of the film system.
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Beyerlein, Kenneth Roy. "Simulation and modeling of the powder diffraction pattern from nanoparticles: studying the influence of surface strain." Diss., Georgia Institute of Technology, 2011. http://hdl.handle.net/1853/41211.

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Accurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and surface strain are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested, and extended, in an effort to improve the characterization of small crystallites. It also begins to allow for the incorporation of atomistic simulations into the field of diffraction. Molecular dynamics simulations are shown to be effective in generating realistic structural models and dynamics of an atomic system, and are then used to study the observed features in the powder diffraction pattern. Furthermore, the characterization of a sample of shape controlled Pt nanoparticles is carried out through the use of a developed Debye function analysis routine in an effort to determine the predominant particle shape. The results of this modeling are shown to be in good agreement with complementary characterization methods, like transmission electron microscopy and cyclic voltammetry.
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Jönsson, Olof. "Ultrafast Structural and Electron Dynamics in Soft Matter Exposed to Intense X-ray Pulses." Doctoral thesis, Uppsala universitet, Molekyl- och kondenserade materiens fysik, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-331936.

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Investigations of soft matter using ultrashort high intensity pulses have been made possible through the advent of X-ray free-electrons lasers. The last decade has seen the development of a new type of protein crystallography where femtosecond dynamics can be studied, and single particle imaging with atomic resolution is on the horizon. The pulses are so intense that any sample quickly turns into a plasma. This thesis studies the ultrafast transition from soft matter to warm dense matter, and the implications for structural determination of proteins.                    We use non-thermal plasma simulations to predict ultrafast structural and electron dynamics. Changes in atomic form factors due to the electronic state, and displacement as a function of temperature, are used to predict Bragg signal intensity in protein nanocrystals. The damage processes started by the pulse will gate the diffracted signal within the pulse duration, suggesting that long pulses are useful to study protein structure. This illustrates diffraction-before-destruction in crystallography. The effect from a varying temporal photon distribution within a pulse is also investigated. A well-defined initial front determines the quality of the diffracted signal. At lower intensities, the temporal shape of the X-ray pulse will affect the overall signal strength; at high intensities the signal level will be strongly dependent on the resolution. Water is routinely used to deliver biological samples into the X-ray beam. Structural dynamics in water exposed to intense X-rays were investigated with simulations and experiments. Using pulses of different duration, we found that non-thermal heating will affect the water structure on a time scale longer than 25 fs but shorter than 75 fs. Modeling suggests that a loss of long-range coordination of the solvation shells accounts for the observed decrease in scattering signal. The feasibility of using X-ray emission from plasma as an indicator for hits in serial diffraction experiments is studied. Specific line emission from sulfur at high X-ray energies is suitable for distinguishing spectral features from proteins, compared to emission from delivery liquids. We find that plasma emission continues long after the femtosecond pulse has ended, suggesting that spectrum-during-destruction could reveal information complementary to diffraction.
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Beyerlein, Kenneth Roy. "Simulation and Modeling of the Powder Diffraction Pattern from Nanoparticles: Studying the Effects of Faulting in Small Crystallites." Doctoral thesis, Università degli studi di Trento, 2011. https://hdl.handle.net/11572/368693.

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Accurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and faulting are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested, and extended, in an effort to improve the characterization of small crystallites. It also begins to allow for the incorporation of atomistic simulations into the field of diffraction. Molecular dynamics simulations are shown to be effective in generating realistic structural models and dynamics of an atomic system, and are then used to study the observed features in the powder diffraction pattern. Furthermore, the characterization of a sample of shape controlled Pt nanoparticles is carried out through the use of a developed Debye function analysis routine in an effort to determine the predominant particle shape. The results of this modeling are shown to be in good agreement with complementary characterization methods, like transmission electron microscopy and cyclic voltammetry.
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al, @Haddad Mostapha. "Théorie statistique de la diffraction des rayons X et des neutrons : [thèse soutenue sur un ensemble de travaux]." Grenoble 1, 1989. http://www.theses.fr/1989GRE10046.

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Theorie auto-coherente de la diffraction par un cristal statistiquement deforme en remplacant le cristal etudie par un cristal modele donnant le meme spectre de diffraction. Pour le cristal reel, deux solutions sont envisagees: solution analytique pour un cristal qui a la forme d'une plaquette, infinie dans la geometrie de transmission; solution numerique pour un cristal de forme convexe qui peut etre remplace par une sphere
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BENSOUSSAN, SERGE. "Deformations dans les heterostructures epitaxiees sur des substrats semiconducteurs iii-v : etude experimentale par diffraction de rayons x et simulation sur ordinateur." Paris 6, 1986. http://www.theses.fr/1986PA066374.

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La distribution de deformation a l'interface entre une couche epitaxique d'un compose tertiaire (arseniure de al et ga par exemple) et un support semiconducteur iii-v a pu etre mise en evidence et mesuree a l'aide, essentiellement, de la diffraction d'une onde rx plane ou pseudo-plane. Etude de la sensibilite de la methode a un etalement de l'interface en fonction de l'epaisseur de la couche et de son desaccord avec le support. Simulation sur ordinateur du profil de reflexion des jonctions abruptes et etalees. Application a divers echantillons et au cas des structures multicouches et des superreseaux
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Clarke, Stuart M. "The structure and properties of absorbed layers by X-ray and neutron scattering." Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.253326.

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Lizunova, S. V., O. S. Skakunova, S. I. Olikhovskii, et al. "Dynamical X-Ray Diffraction Characterization of the Self-Organized Quantum Dot Formation In Imperfect Semiconductor Superlattices." Thesis, Sumy State University, 2015. http://essuir.sumdu.edu.ua/handle/123456789/42647.

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The self-organized quantum dot (QD) formation in InGaAs/GaAs superlattices grown by molecular beam epitaxy was investigated by the high-resolution X-ray diffraction technique. The investigated samples had the identical structure consisting of fifteen periods of {InxGa1−xAs (8 ML)/GaAs (26 ML)} with the nominal In concentration x = 0.2. The diffraction profiles and reciprocal lattice maps for these samples have been measured at symmetrical (004) reflection by using the triple-crystal X-ray diffractometer. The analysis of the measured data was performed by using the proposed diffraction model based on the statistical theory of dynamical X-ray scattering in imperfect single crystals and multilayer structures.
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Hey, Jakob. "From X-ray diffraction data annealing to comprehensive charge density analysis." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2013. http://hdl.handle.net/11858/00-1735-0000-0001-BBE1-7.

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Books on the topic "X-Ray Dynamical Diffraction Theory"

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Authier, André. Dynamical theory of x-ray diffraction. Oxford University Press, 2004.

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André, Authier, Lagomarsino Stefano, Tanner B. K, North Atlantic Treaty Organization. Scientific Affairs Division., and NATO Advanced Study Institute on X-ray and Neutron Dynamical Diffraction (1996 : Erice, Italy), eds. X-ray and neutron dynamical diffraction: Theory and applications. Plenum Press, 1996.

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1888-, Ewald Peter Paul, Cruickshank D. W. J, Juretschke Hellmut J, and Katō N. 1923-, eds. P.P. Ewald and his dynamical theory of X-ray diffraction: A memorial volume for Paul P. Ewald, 23 January 1888-22 August 1985. International Union of Crystallography, 1992.

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Authier, André, Stefano Lagomarsino, and Brian K. Tanner, eds. X-Ray and Neutron Dynamical Diffraction. Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5879-8.

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Zachariasen, William H. Theory of x-ray diffraction in crystals. Dover Publications, 1994.

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Zachariasen, William H. Theory of x-ray diffraction in crystals. Dover Publications, 2004.

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Chang, Shih-Lin. X-Ray Multiple-Wave Diffraction: Theory and Application. Springer Berlin Heidelberg, 2004.

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Authier, André. Early days of X-ray crystallography. Oxford University Press, 2013.

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Drít͡s, Viktor Anatolévich. X-ray diffraction by disordered lamellar structures: Theory and applications to microdivided silicates and carbons. Springer-Verlag, 1990.

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Drits, Victor A. X-Ray Diffraction by Disordered Lamellar Structures: Theory and Applications to Microdivided Silicates and Carbons. Springer Berlin Heidelberg, 1990.

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Book chapters on the topic "X-Ray Dynamical Diffraction Theory"

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Chang, Shih-Lin. "Dynamical Theory of X-Ray Diffraction." In X-Ray Multiple-Wave Diffraction. Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-662-10984-7_6.

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Schlenker, Michel, and Jean-Pierre Guigay. "Dynamical Theory of Neutron Scattering." In X-Ray and Neutron Dynamical Diffraction. Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5879-8_4.

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Authier, A. "Dynamical theory of X-ray diffraction." In International Tables for Crystallography. International Union of Crystallography, 2006. http://dx.doi.org/10.1107/97809553602060000569.

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Authier, A. "Dynamical theory of X-ray diffraction." In International Tables for Crystallography. International Union of Crystallography, 2010. http://dx.doi.org/10.1107/97809553602060000779.

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Kato, Norio. "Statistical Theory of Dynamical Diffraction in Crystals." In X-Ray and Neutron Dynamical Diffraction. Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5879-8_7.

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Holý, Václav. "Dynamical Theory of Highly Asymmetric X-Ray Diffraction." In X-Ray and Neutron Dynamical Diffraction. Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5879-8_2.

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Authier, A. "Dynamical Theory of X-Ray Diffraction — I. Perfect Crystals." In X-Ray and Neutron Dynamical Diffraction. Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5879-8_1.

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Authier, A. "Dynamical Theory of X-Ray Diffraction — II. Deformed Crystals." In X-Ray and Neutron Dynamical Diffraction. Springer US, 1996. http://dx.doi.org/10.1007/978-1-4615-5879-8_3.

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Berreman, D. W., and A. T. Macrander. "Dynamical Theory of Asymmetric X-ray Diffraction for Strained Crystal Wafers." In Advances in X-Ray Analysis. Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1035-8_17.

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Shvyd’ko, Yuri. "Dynamical Theory of X-Ray Diffraction (Focus on Backscattering)." In Springer Series in Optical Sciences. Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-540-40890-1_2.

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Conference papers on the topic "X-Ray Dynamical Diffraction Theory"

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Wang, Xin, Saebom Ko, Alex Yi-Tsung Lu, et al. "New Approach to Iron Sulfide Scale Modeling and Prediction at pH 4-7." In CORROSION 2020. NACE International, 2020. https://doi.org/10.5006/c2020-14532.

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Abstract In this study, a plug flow reactor was built to investigate iron sulfide scale precipitation at various temperatures, pH and ionic strength conditions and two pieces of carbon steel C1018 coupons were put inside as reaction surfaces. The ferrous ion and total sulfide in collected effluent samples were measured to determine precipitation kinetics and solubility. The solid that formed on the steel surfaces were analyzed by Scanning Electron Microscopy (SEM/EDS) and X-ray Diffraction (XRD). The solubility data from this study and literature were collected and fitted by Matlab to build up a reliable FeS solubility prediction model. The experimental results show that mackinawite is the predominant precipitated scale and could be stable for a week at pH higher than 6.0. Iron sulfide precipitation is under diffusion control, accelerated by high temperature and ionic strength. At pH 6 – 7, the aqueous phase neutral species, such as FeSaq0, plays an important role in the solubility and precipitation kinetic. Based on this study, a new solubility model that combines Pitzer theory and ion-complexes (speciation of ferrous ion) has been developed for iron sulfide solubility calculation and scale prediction.
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Ben-Nun, M., T. J. Martínez, P. M. Weber, and Kent R. Wilson. "Ultrafast X-Ray Diffraction: Theory." In Applications of High Field and Short Wavelength Sources. Optica Publishing Group, 1997. http://dx.doi.org/10.1364/hfsw.1997.thd3.

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Ever since their discovery by Röntgen (more than 100 years ago), x-rays have made the unseen visible. In particular, much of our experimental knowledge about the structure and electronic densities of atoms and molecules is due to x-ray and electron diffraction measurements. X-ray and electron diffraction have been used to measure the structures of almost all small molecules and x-ray diffraction has been the basis (along with nmr) of most of our structural knowledge about biomolecules. Recent advances in the production of ultrashort x-ray and electron pulses1-3 suggest that diffraction (and absorption) techniques may be used to observe evolving, non-equilibrium structures of systems that are undergoing chemical (or biochemical) reactions or physical changes such as a phase transition or annealing. In such an ultrafast diffraction (or absorption) experiment, an ultrashort optical pulse can be used to initiate a chemical reaction and a second delayed x-ray (or electron pulse) can interrogate the reacting system. By varying the time delay between the two pulses, the motions of atoms during a chemical reaction may be reconstructed.4-6 In addition to watching the nuclear motion, at least in principle, x-ray diffraction could be used to follow the dynamics of the electron density involved in chemical bonding and electron flow, and x-ray absorption in the form of chemical shifts of atomic absorption edges could be used to follow the charge or oxidation state of chosen types of atoms. Hence, time resolved x-ray absorption and diffraction may serve as direct ways to watch the evolution of chemical reactions en route from reactants to products, to observe the microscopic processes by which biomolecules perform their tasks and to observe ultrafast process in solid state materials.
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Caticha, Ariel. "Dynamical theory of x-ray diffraction by multilayered structures." In San Diego '92, edited by John R. Arthur. SPIE, 1993. http://dx.doi.org/10.1117/12.138717.

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Muniz, F. T. L. "SIMULATION OF X-RAY POWDER DIFFRACTION PATTERNS USING DYNAMICAL THEORY." In International Symposium on Crystallography. Editora Edgard Blücher, 2015. http://dx.doi.org/10.5151/phypro-sic100-055.

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Berreman, D. W., and A. T. Macrander. "8×8 Matrix dynamical theory for strained oblique Bragg planes." In OSA Annual Meeting. Optica Publishing Group, 1987. http://dx.doi.org/10.1364/oam.1987.tum1.

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We have extended the matrix representation of the dynamical theory of x-ray diffraction to include Bragg planes that are oblique with respect to the surface of a flat crystal wafer. In place of the two independent 2×2 matrices of the Abelés method for planes parallel to the surface, we use a single 8 × 8 matrix. With such a matrix, rays may be skew with respect to the oblique Bragg planes and the wafer surface. The new approach brings out the close analogy between the diffraction of visible light by blazed gratings and the diffraction of x rays by edges of oblique Bragg planes near the crystal surface. Matrix methods present no special problem in cases where the layers near the surface do not have the same spacing normal to the surface as those deeper down, resulting in curved oblique planes. Thus epitaxial layers of varying composition, and crystals strained by ion implantation, can be treated as easily as uniform wafers so long as distorted 3-D order remains. An additional set of diffracting Bragg planes parallel to the surfaces can be included with little complication, thus allowing investigation of double-diffraction effects at the intersection of two diffraction cones.
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Shreeman, P. K., R. J. Matyi, Erik M. Secula, et al. "Application Of Statistical Dynamical X-ray Diffraction Theory To Defective Semiconductor Heterostructures." In FRONTIERS OF CHARACTERIZATION AND METROLOGY FOR NANOELECTRONICS: 2009. AIP, 2009. http://dx.doi.org/10.1063/1.3251255.

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Chevailier, P., P. Dhez, A. Erko, et al. "Multilayered Diffractive Optics for X-Ray Focusing: Experimental results (1-10 keV) and theoretical predictions using dynamical theory." In Physics of X-Ray Multilayer Structures. Optica Publishing Group, 1994. http://dx.doi.org/10.1364/pxrayms.1994.wc.10.

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Sinha, S. K. "Characterization of Interface Structure in Multilayers Using Diffuse X-Ray Scattering." In Physics of X-Ray Multilayer Structures. Optica Publishing Group, 1994. http://dx.doi.org/10.1364/pxrayms.1994.tub.1.

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The scattering of radiation (e.g., X-rays or neutrons) by multilayer films containing interface roughness is discussed. As is by now well known, such interface roughness usually possesses a degree of conformality (i.e., correlations between different interfaces), which is known to produce structure in the diffuse scattering which mimics that in the specular reflectivity [1-6]. There are more subtle effects when either the incident or scattered wave vector is close to the condition for specular Bragg reflection from the multilayer, which have also been noted [7]. Such effects can be treated within the framework of the Distorted Wave Born Approximation (DWBA) [8-10], which can also be thought of as including “double-scattering” (i.e., Bragg + diffuse scattering) processes. Interesting effects in the diffuse scattering (i.e., sharp minima or edges) manifest themselves in the line shapes observed for rocking curves at these positions, and these can be qualitatively explained within the framework of the dynamical theory of diffraction by considering the effects of correlated interface roughness. Such correlated roughness can produce both constructive and destructive interference in the dynamically scattered waves. The theory is illustrated with Synchrotron X-ray diffuse scattering studies from several Nb/Si multilayer samples [11].
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Adams, Bernhard W. "Dynamical diffraction of x-rays under conditions of a rapidly changing structure factor: theory and possible applications for femtosecond x-ray studies." In International Symposium on Optical Science and Technology, edited by Roman O. Tatchyn, Andreas K. Freund, and Tadashi Matsushita. SPIE, 2001. http://dx.doi.org/10.1117/12.452957.

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Berreman, Dwight W. "Improvements in 8 × 8-matrix x-ray optics for nonuniform layers." In OSA Annual Meeting. Optica Publishing Group, 1988. http://dx.doi.org/10.1364/oam.1988.tuc5.

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Two improvements have been made on a recently described 8×8 transfer-matrix formulation of dynamic x-ray diffraction theory for flat crystals with uniform lateral periodicity and nonuniform periodicity normal to the surface.1 The method is particularly useful for epitaxial structures. One improvement is to break each differential transfer-matrix into a part that depends only on the average complex refractive index, which can be integrated in closed form over any thickness, plus another small part that varies sinusoidally in the oblique and normal directions over some number of cycles. A fast perturbation method can be used to combine these parts. When attenuation of the beam is very great in a thick uniform periodic substrate beneath a different or varying overlayer, we previously truncated the transfer matrix at a level where the wave amplitude is very small but still appreciable and matched boundary conditions with two transmitted and two forward-diffracted plane-polarized waves propagating into a fictitious homogeneous medium. Numerical stability is often greatly enhanced by describing the transmitted and forward-diffracted beams as four orthogonal Bloch waves in the periodic substrate, which is treated as semi-infinite, and using only the transfer matrix down to that substrate to obtain reflection parameters.
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Reports on the topic "X-Ray Dynamical Diffraction Theory"

1

Kycia, S. Dynamical x-ray diffraction from an icosahedral Al-Pd-Mn quasicrystal. Office of Scientific and Technical Information (OSTI), 1996. http://dx.doi.org/10.2172/249084.

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2

Azaroff, Leonid V. X-Ray Diffraction by Thermotropic Main-Chain Polymers Having Side Groups. Part A. Diffraction Theory. Defense Technical Information Center, 1988. http://dx.doi.org/10.21236/ada199251.

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Kushnir, V. I., and A. T. Macrander. A criterion for the dynamical to kinematical transition of x-ray diffraction on a bent crystal. Office of Scientific and Technical Information (OSTI), 1993. http://dx.doi.org/10.2172/10188471.

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Kim, Sung. High temperature x-ray diffraction and Landau theory investigation of order-disorder transition in defect NaCl-type solids. Office of Scientific and Technical Information (OSTI), 1990. http://dx.doi.org/10.2172/6784318.

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