Search Results - diffraction pattern simulation

CLEARER: a new tool for the analysis of X-ray fibre diffraction patterns and diffraction simulation from atomic structural models by Sumner Makin, O., Sikorski, Pawel, Serpell, Louise C.

“…‐to‐use interface that enables diffraction data processing, analysis and simulation of diffraction patterns…”
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High-performance powder diffraction pattern simulation for large-scale atomistic models via full-precision pair distribution function computation by Leonardi, Alberto, Bish, David L.

“…‐performance computing of powder diffraction line profiles from large‐scale atomistic models of nanomaterial…”
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Simulation of diffraction patterns for Ruddlesden–Popper (RP) tetragonal structures with RP faults by Gorkusha, A. S., Cherepanova, S. V., Tsybulya, S. V.

“…A theoretical analysis of diffraction patterns was performed for two representatives of layered perovskite…”
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Inside Cover: Reliability of Orientational Order Parameters Determined from Two-dimensional X-ray Diffraction Patterns: A Simulation Study (ChemPhysChem 11/2016) by Jenz, Frank, Jagiella, Stefan, Glaser, Matthew A., Giesselmann, Frank

“…The Inside Cover picture displays the orientation of simulated rod‐like particles in a smectic A phase and a nematic phase along with their corresponding 2D diffraction patterns calculated through Fourier transform…”
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Segal crystallinity index revisited by the simulation of X-ray diffraction patterns of cotton cellulose Iβ and cellulose II by Nam, Sunghyun, French, Alfred D., Condon, Brian D., Concha, Monica

“…•The X-ray diffraction patterns of control and mercerized cotton fibers were simulated with perfect cellulose Iβ…”
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The Power of Electron Diffraction Phase Analysis and Pattern Simulations Using the ICDD ® Powder Diffraction File™ (PDF-4+) by Gindhart, Amy, Blanton, Tom, Blanton, Justin, Gates-Rector, Stacy

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Reliability of Orientational Order Parameters Determined from Two-dimensional X-ray Diffraction Patterns: A Simulation Study by Jenz, Frank, Jagiella, Stefan, Glaser, Matthew A., Giesselmann, Frank

“… We present a simulation‐based approach to elucidate the reliability of the method of Davidson, Petermann and Levelut to measure S2 via 2D X‐ray experiments…”
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Intra-layer ordering and inter-layer disordering of the Li2MnO3 phase in Li1.07Mn1.93O4-δ cathode materials: electron diffraction investigation and DIFFaX simulation of X-ray diffraction patterns by Zheng, He, Wang, Jianbo, Xu, Zhongling, Gui, Jianian

“… (M and C denote the monoclinic and cubic phases, respectively) zone axis. Here, a theoretical X‐ray diffraction (XRD…”
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Computational super-resolution phase retrieval from multiple phase-coded diffraction patterns: simulation study and experiments by Katkovnik, Vladimir, Shevkunov, Igor, Petrov, Nikolay V., Egiazarian, Karen

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X-Ray Diffraction Pattern Simulation for Thermally Treated [Zn–Al–Cl] Layered Double Hydroxide by Ennadi, A., Legrouri, A., De Roy, A., Besse, J.P.

“…Thermal analyses and X-ray diffraction (XRD) were combined with refinement and simulation of the XRD patterns in order to elucidate the evolution of the atom distribution in the interlayer domain of the [Zn–Al–Cl…”
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Rare-earth oxides with fluorite-related structures: their systematic investigation using HREM images, image simulations and electron diffraction pattern simulations by López-Cartes, C, Pérez-Omil, J.A, Pintado, J.M, Calvino, J.J, Kang, Z.C, Eyring, L

“…A complete set of non-equivalent kinematic electron diffraction patterns corresponding to the main zone axis orientations, 〈1 0 0〉 F, 〈1 1 0〉 F, 〈1 1 1〉 F and 〈1 1 2…”
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Diffraction pattern simulation of cellulose fibrils using distributed and quantized pair distances by Zhang, Yan, Inouye, Hideyo, Crowley, Michael, Yu, Leiming, Kaeli, David, Makowski, Lee

“… This paper describes a highly efficient method for the simulation of X‐ray diffraction patterns from complex fibrils using atom‐type‐specific pair…”
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PCED2.0—A computer program for the simulation of polycrystalline electron diffraction pattern by Li, X.Z.

“…A computer program for the simulation of polycrystalline electron diffraction patterns is described…”
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JECP/PCED—a computer program for simulation of polycrystalline electron diffraction pattern and phase identification by Li, X.Z.

“…A computer program for simulation of polycrystalline electron diffraction pattern and phase identification is described…”
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Thermal evolution of Mg-Al and Ni-Al layered double hydroxides: the structure of the dehydrated phase by Cherepanova, Svetlana, Leont'eva, Natalya, Drozdov, Vladimir, Doronin, Vladimir

“…Simulation of X‐ray diffraction patterns on the basis of the models of one‐dimensional disordered crystals was used to investigate the structure of the dehydrated phase produced by dehydration of Mg–Al and Ni…”
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Principles of depth-resolved Kikuchi pattern simulation for electron backscatter diffraction by WINKELMANN, A

“… electron microscopy are compared with the help of simulations employing the dynamical theory of electron diffraction…”
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Simulation of powder diffraction patterns of mixed-layer compounds in the restacked binary nanosheet system Ti0.91O2-MnO2 by Onoda, Mitsuko, Liu, Zhaoping, Takada, Kazunori, Sasaki, Takayoshi

“…‐ray powder diffraction patterns of the products showed remarkably broad reflections…”
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Diffraction pattern simulation of cellulose fibrils using distributed and quantized pair distances by Zhang, Yan, Inouye, Hideyo, Crowley, Michael, Yu, Leiming, Kaeli, David, Makowski, Lee

“… This paper describes a highly efficient method for the simulation of X-ray diffraction patterns from complex fibrils using atom-type-specific pair-distance quantization…”
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Molecular Electron Density Distribution and X‐Ray Diffraction Patterns of Smectic A Liquid Crystals – A Simulation Study by Haege, Christian, Jagiella, Stefan, Giesselmann, Frank

“… We here present a systematic simulation study in which we examine this effect and show that the MEDD indeed has a major impact on the general appearance of the XRD pattern…”
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Deformation state extraction from electron backscatter diffraction patterns via simulation-based pattern-matching by Kurniawan, Christian, Zhu, Chaoyi, DeGraef, Marc

“…[Display omitted] A new simulation-based pattern-matching method is developed to retrieve the deformation tensor from electron backscatter diffraction patterns…”
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