Relevant bibliographies by topics / X-ray powder diffraction

Academic literature on the topic 'X-ray powder diffraction'

Author: Grafiati
Published: 4 June 2021
Last updated: 6 September 2023

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Journal articles on the topic "X-ray powder diffraction"

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Ilinca, Gheorghe, and Emil Makovicky. "X-ray powder diffraction properties of pavonite homologues." European Journal of Mineralogy 11, no. 4 (July 16, 1999): 691–708. http://dx.doi.org/10.1127/ejm/11/4/0691.

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Cox, D. E. "Synchrotron X-Ray Powder Diffraction." MRS Bulletin 12, no. 1 (February 1987): 16–20. http://dx.doi.org/10.1557/s088376940006869x.

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X-ray powder diffraction is one of the most widely used techniques by scientists engaged in the synthesis, analysis, and characterization of solids. It is estimated that there are now about 25,000 users throughout the world, of which about one third are in the United States. Any single-phase polycrystalline material gives an x-ray pattern which can be regarded as a unique “fingerprint,” and modern automated search-and-match techniques used in conjunction with the Powder Diffraction File (maintained by the International Center for Diffraction Data, Swarthmore, PA) allow routine analysis of samples in minutes. From an x-ray pattern of good quality it is possible to determine unit cell parameters with high accuracy and impurity concentrations of 1-5%, so that powder techniques are extremely valuable in phase equilibrium studies and residual stress measurements, for example. In addition, a detailed analysis of line shapes gives information about physical properties such as the size and shape of the individual crystallites, microscopic strain, and stacking disorder.In the early days of crystallography many simple (and some not-so-simple) structures were solved from x-ray powder diffraction patterns, but the obvious limitations to the number of individual reflection intensities which can be estimated and the increasing sophistication of single-crystal techniques resulted in a decline in the importance of this application in the 1950s and 1960s.
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Yamane, H., T. Sakamoto, S. I. Kubota, and M. Shimada. "Gd3GaO6by X-ray powder diffraction." Acta Crystallographica Section C Crystal Structure Communications 55, no. 4 (April 15, 1999): 479–81. http://dx.doi.org/10.1107/s0108270198016096.

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Palancher, H., S. Bos, J. F. Bérar, I. Margiolaki, and J. L. Hodeau. "X-ray resonant powder diffraction." European Physical Journal Special Topics 208, no. 1 (June 2012): 275–89. http://dx.doi.org/10.1140/epjst/e2012-01624-1.

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Woerner, Michael. "Femtosecond X-ray powder diffraction." Acta Crystallographica Section A Foundations and Advances 71, a1 (August 23, 2015): s150. http://dx.doi.org/10.1107/s205327331509779x.

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Attfield, J. P. "Resonant Powder X-Ray Diffraction." Materials Science Forum 228-231 (July 1996): 201–6. http://dx.doi.org/10.4028/www.scientific.net/msf.228-231.201.

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Mammadli, P. R., and D. M. Babanly. "POWDER X-RAY DIFFRACTION STUDY OF THE Cu3SbS3-CuI SYSTEM." Chemical Problems 21, no. 1 (2023): 57–63. http://dx.doi.org/10.32737/2221-8688-2023-1-57-63.

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The nature of phase equilibria in the Cu3SbS3-CuI binary system over the entire concentration range were studied by means of the powder X-ray diffraction analysis (PXRD) for the first time at room temperature. It was found that the sample containing 66.7 mol.% CuI composed of a single phase and has a powder diffraction pattern completely different from the constituent phases of the system under study. The crystal lattice type and parameters, that were determined on the basis of the X-ray diffraction pattern of this sample using the TOPAS 4.2 and EVA computer programs are fully consistent with the literature data of the Cu5SbS3I2 four-component compound. The copper (I) iodide rich samples of the system consist of a two-phase mixture of Cu5SbS3I2 and CuI phases. However, the system is unstable in the Cu5SbS3I2-Cu3SbS3 composition range. In this concentration interval, the system is characterized by complex physico-chemical interaction of the initial components.
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Pu, Qian. "Simulation of X-ray powder diffraction." Journal of Chemical Education 69, no. 10 (October 1992): 815. http://dx.doi.org/10.1021/ed069p815.

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Woolsey, N. C., J. S. Wark, and D. Riley. "Sub-nanosecond X-ray powder diffraction." Journal of Applied Crystallography 23, no. 5 (October 1, 1990): 441–43. http://dx.doi.org/10.1107/s0021889890008500.

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The X-rays emitted from a laser-produced plasma have been used to obtain powder diffraction patterns with exposures of less than a nanosecond. The X-rays were produced by focusing approximately 50 J of 0.53 μm laser light in a 600 ps (FWHM) pulse to a tight (~100 μm diameter) spot on a solid titanium target. The spectral brightness of the resonance line of the helium-like titanium thus produced was sufficient to record diffraction from LiF powder in a single exposure using the Seemann–Bohlin geometry. These results indicate that time-resolved measurements of the lattice parameters of polycrystalline materials can be made with sub-nanosecond temporal resolution.
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Tayebifard, S. A., K. Ahmadi, R. Yazdani-Rad, and M. Doroudian. "New X-ray powder diffraction data for Mo2.85Al1.91Si4.81." Powder Diffraction 21, no. 3 (September 2006): 238–40. http://dx.doi.org/10.1154/1.2244544.

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X-ray powder diffraction data for Mo2.85Al1.91Si4.81 are reported. The new Mo2.85Al1.91Si4.81 compound was successfully prepared using the self-propagating high-temperature synthesis (SHS) technique. The starting atomic mixture of reactant powders was Mo+2(1−x)Si+2xAl with x=0.3. The final powder compound obtained by the SHS technique was determined to be Mo2.85Al1.91Si4.81 by ICP-AES. X-ray powder diffraction pattern of Mo2.85Al1.91Si4.81 was recorded using an X-ray powder diffractometer, Cu Kα radiation, and analyzed by automatic indexing programs. Mo2.85Al1.91Si4.81 was found to be hexagonal with a=4.6929(2) Å and c=6.5515(4) Å. The XRD results are in good agreement with those of Mo2.85Ga2Si4.15.
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Dissertations / Theses on the topic "X-ray powder diffraction"

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Hinrichsen, Bernd. "Two-dimensional X-ray powder diffraction." [S.l. : s.n.], 2007. http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-33946.

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Rodriguez, Asiloe Jasmina Mora. "High resolution powder diffraction studies of molecular solids." Thesis, Keele University, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321299.

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Barnett, Stephanie Jayne. "X-ray powder diffraction studies of ettringite and related systems." Thesis, Staffordshire University, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244708.

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Tremayne, Maryjane. "Ab initio structure determination from X-ray powder diffraction data." Thesis, University of St Andrews, 1995. http://hdl.handle.net/10023/6503.

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Many important crystalline solids cannot be prepared in the form of single crystals of sufficient size and quality for single crystal X-ray diffraction studies, and in such cases it is essential that structural information can be extracted from powder diffraction data. In this thesis, a number of crystal structures have been determined directly from X-ray powder diffraction data recorded on a conventional laboratory instrument, and the limitations of this technique explored using both conventional and new more sophisticated methods of structure solution. This work has focussed mainly on the more complex problem of molecular systems. The Patterson method has been applied to the determination of a simple unknown inorganic structure, lithium perchlorate, whereas conventional direct methods have been used in the determination of a number of organic structures, including the previously unknown crystal structure of 1,3,4,6-tetrathiopentalene-2,5-dione and formylurea - the first previously unknown organic structure containing only light atoms to be solved by this technique. The combined maximum entropy and likelihood method has been applied to determinate two crystal structures, lithium triflate and p-toluenesulphonhydrazide. Further developments of this technique are also discussed and illustrated in the structure solution of a previously known system. A Monte Carlo algorithm for ab initio crystal structure determination from powder diffraction data has also been developed, and the success of this method demonstrated by its application to the determination of several known structures, and the previously unknown crystal structure of p-bromophenylacetic acid. The effect of data range on the quality of structure solution obtained from both direct methods and the maximum entropy and likelihood method is also discussed.
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McBride, Lorraine. "Determination of organic crystal structures by X ray powder diffraction." Thesis, University of Strathclyde, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248694.

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Bell, A. M. T. "Structural studies using synchrotron X-ray powder diffraction and other techniques." Thesis, University of Cambridge, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596545.

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Chapter 1 gives an introduction to X-ray and neutron powder diffraction and the use of these techniques for crystal structure determination and refinement. The Rietveld structure refinement method is described and examples of different methods of structure determination from powder diffraction data are given. The techniques of EXAFS and Mössbauer spectroscopy, which were used to provide additional structural information, are also introduced. Chapter 2 describes the different radiation sources and experimental techniques used in this work. Chapter 3 describes a structural study of magnetite, Fe3O4, below the Verwey phase transition (˜120 K). The P2/c structure of Fe3O4 at 60 K has been refined with lattice parameters of a = 5.9412(3) Å, b = 5.9290(3) Å, c = 16.789(1) Å and β = 90.196(4). A variable temperature study of the Fe3O4 lattice parameters between 2-280 K shows this transition is first-order. An EXAFS study between 8-270 K shows that there is no significant change in the average Fe-O distance in Fe3O4 around the transition. Chapter 4 describes a structural study on a material related to magnetite, Fe2OBO3. Two phase transitions have been found for this material. The first of these is due to magnetic ordering and takes place at ˜155 K. The second is due to charge ordering and takes place at 315 K, this is a structural (P21/c ↔ Pnma) transition. Chapter 5 describes a resonant scattering experiment done on CsI. Resonant scattering parameters have been refined from synchrotron X-ray powder diffraction data collected at room temperature and at 4 K close to the Cs and I K-edges. The refined f parameters are -6.2(2) e/atom (Cs, λ = 0.3453 Å), -9.0(I) e/atom (I, λ = 0.374105 Å) and -6.2(2) e/atom (I, 4 K, λ = 0.37367 Å). Chapter 6 describes the ab initio structure determination of 4-(2'3'4'-trifluorophenyl)-1235 dithiadiazolyl (C7S2N2F3H2; P2/n, a = 11.543(4) Å, b = 20.666(8) Å, c = 7.045(2) Å and β = 100.35(4) using synchrotron X-ray powder diffraction data. A global optimisation method was used to provide a starting model for Rietveld refinement.
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Seaton, Colin Cormack. "Novel methods of structure determination from X-ray powder diffraction data." Thesis, University of Birmingham, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.396462.

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The determination of crystal structures from powder diffraction data is a field that is rapidly expanding due to a range of computational and experimental developments. A major driving force of this expansion is the continuing development of direct space methods of structure solution. This work will show the development of the program POSSUM as a suite of direct space structure determination methods and its subsequent successful application to a number of molecular organic and inorganic materials whose crystal structures were previously unknown. Direct space methods utilise global optimisation algorithms to locate the crystal structure. This work describes the successful application of the differential evolution optimisation algorithm to structure determination from powder diffraction. Differential evolution is shown to be a robust and efficient optimisation technique with the limited number of control parameters associated with the method ensuring that optimisation of the searching is easily achieved. Investigation into improving the computer performance of the method also focused on reduction of the time taken to evaluate agreement between experimental and calculated patterns through the application of the discrete wavelet transform. This effectively reduces the number of points in the powder pattern, yet retains the same level of information as the original data set and is shown to illustrate good discrimination between solutions generated in a direct space structure solution.
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Day, Sarah Joanne. "Studies of cosmic dust analogues using synchrotron X-ray powder diffraction." Thesis, Keele University, 2014. http://eprints.keele.ac.uk/1215/.

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The structural evolution of cosmic dust analogues has been investigated using in situ synchrotron X-ray powder diffraction (SXPD) at the Diamond Light Source. Amorphous Mg/Ca silicates are produced as analogues of cosmic dust using a modified sol-gel method. They are studied under non-ambient temperature and pressure conditions using in situ powder diffraction, complemented by FTIR and Raman spectroscopy. The solid-state mineralisation of amorphous grains is observed by thermal annealing and the results of this allow the environmental conditions leading to the formation of crystalline dust grains in astrophysical environments to be constrained. The solid-gas carbonation of amorphous Ca-rich silicates is studied using in situ SXPD and analysed using full-profile fitting techniques, while the effect of ex situ carbonation on the short range ordering of amorphous grains is investigated using high energy SXPD and Pair Distribution Function (PDF) analysis. The formation of a metastable calcium carbonate phase (vaterite) is observed and the importance of this in relation to astrophysical environments is discussed. In situ Raman and SXPD data of CO2 clathrate hydrates are presented and the importance of the Raman data obtained here with relevance to future remote sensing missions to Solar System bodies is discussed. This work indicates the importance of laboratory work to the field of astrophysics and provides novel experimental approaches to aid our understanding of astrophysical processes.
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Leonardi, Alberto. "Molecular Dynamics and X-ray Powder Diffraction Simulations: Investigation of nano-polycrystalline microstructure at the atomic scale coupling local structure configurations and X-ray powder Diffraction techniques." Doctoral thesis, Università degli studi di Trento, 2012. https://hdl.handle.net/11572/368091.

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Atomistic simulations based on Molecular Dynamics (MD) were used to model the lattice distortions in metallic nano-polycrystalline microstructures, with the purpose of supporting the analysis of the X-ray powder diffraction patterns with a better, atomic level understanding of the studied system. Complex microstructures were generated with a new modified Voronoi tessellation method which provides a direct relation between generation parameters and statistical properties of the resulting model. MD was used to equilibrate the system: the corresponding strain field was described both in the core and in surface regions of the different crystalline domains. New methods were developed to calculate the strain tensor at the atomic scale. Line Profile Analysis (LPA) was employed to retrieve the microstructure information (size and strain effects) from the powder diffraction patterns: a general algorithm with an atomic level resolution was developed to consider the size effects of crystalline domains of any arbitrary shape. The study provided a new point of view on the role of the grain boundary regions in nano-polycrystalline aggregates, exploring the interference effects between different domains and between grain boundary and crystalline regions. Usual concepts of solid mechanics were brought in the atomistic models to describe the strain effects on the powder diffraction pattern. To this purpose the new concept of Directional - Pair Distribution Function (D-PDF) was developed. D-PDFs calculated from equilibrated atomistic simulations provide a representation of the strain field which is directly comparable with the results of traditional LPA (e.g. Williamson-Hall plot and Warren-Averbach method). The D-PDF opens a new chapter in powder diffraction as new insights and a more sound interpretation of the results are made possible with this new approach to diffraction LPA.
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Leonardi, Alberto. "Molecular Dynamics and X-ray Powder Diffraction Simulations: Investigation of nano-polycrystalline microstructure at the atomic scale coupling local structure configurations and X-ray powder Diffraction techniques." Doctoral thesis, University of Trento, 2012. http://eprints-phd.biblio.unitn.it/843/1/PhDThesis_ALeonardi.pdf.

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Atomistic simulations based on Molecular Dynamics (MD) were used to model the lattice distortions in metallic nano-polycrystalline microstructures, with the purpose of supporting the analysis of the X-ray powder diffraction patterns with a better, atomic level understanding of the studied system. Complex microstructures were generated with a new modified Voronoi tessellation method which provides a direct relation between generation parameters and statistical properties of the resulting model. MD was used to equilibrate the system: the corresponding strain field was described both in the core and in surface regions of the different crystalline domains. New methods were developed to calculate the strain tensor at the atomic scale. Line Profile Analysis (LPA) was employed to retrieve the microstructure information (size and strain effects) from the powder diffraction patterns: a general algorithm with an atomic level resolution was developed to consider the size effects of crystalline domains of any arbitrary shape. The study provided a new point of view on the role of the grain boundary regions in nano-polycrystalline aggregates, exploring the interference effects between different domains and between grain boundary and crystalline regions. Usual concepts of solid mechanics were brought in the atomistic models to describe the strain effects on the powder diffraction pattern. To this purpose the new concept of Directional - Pair Distribution Function (D-PDF) was developed. D-PDFs calculated from equilibrated atomistic simulations provide a representation of the strain field which is directly comparable with the results of traditional LPA (e.g. Williamson-Hall plot and Warren-Averbach method). The D-PDF opens a new chapter in powder diffraction as new insights and a more sound interpretation of the results are made possible with this new approach to diffraction LPA.
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Books on the topic "X-ray powder diffraction"

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Spindura, Jillian. Rapid X-ray analysis by X-ray powder diffraction. Manchester: UMIST, 1994.

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Kaye, T. J. Rapid x-ray analysis by x-ray powder diffraction. Manchester: UMIST, 1993.

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1941-, Snyder R. L., ed. Introduction to X-ray powder diffractometry. New York: Wiley, 1996.

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C, Morris Marlene, United States. National Bureau of Standards., and JCPDS--International Centre for Diffraction Data., eds. Standard x-ray diffraction powder patterns. Washington, D.C: U.S. Dept. of Commerce, National Bureau of Standards, 1985.

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C, Morris Marlene, ed. Standard x-ray diffraction powder patterns. Washington: U.S.Dept. of Commerce, National Bureau of Standards, 1985.

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JCPDS--International Centre for Diffraction Data, ed. Methods & practices in X-ray powder diffraction. [Swarthmore, Pa.]: JCPDS, International Centre for Diffraction Data, 1987.

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JCPDS--International Centre for Diffraction Data., ed. Methods & practices in X-ray powder diffraction. [Swarthmore, Pa.]: JCPDS, International Centre for Diffraction Data, 1987.

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F, David W. I., ed. Structure determination from powder diffraction data. Oxford: Oxford University Press, 2006.

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European Powder Diffraction Conference (9th 2004 Prague, Czech Republic). EPDIC 9: Proceedings of the Ninth European Powder Diffraction Conference, held September 2-5, 2004, in Prague, Czech Republic. Edited by Kužel Radomir, Mittemeijer E. J, and Welzel Udo. München: Oldenbourg Verlag, 2006.

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F, David W. I., ed. Structure determination from powder diffraction data. Oxford: Oxford University Press, 2002.

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Book chapters on the topic "X-ray powder diffraction"

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Suryanarayana, C., and M. Grant Norton. "Quantitative Analysis of Powder Mixtures." In X-Ray Diffraction, 223–36. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4899-0148-4_10.

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Ladd, Mark, and Rex Palmer. "Powder Diffraction." In Structure Determination by X-ray Crystallography, 585–634. Boston, MA: Springer US, 2012. http://dx.doi.org/10.1007/978-1-4614-3954-7_12.

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Bish, D. L., and R. C. Reynolds. "4. SAMPLE PREPARATION FOR X-RAY DIFFRACTION." In Modern Powder Diffraction, edited by David L. Bish and Jeffrey E. Post, 73–100. Berlin, Boston: De Gruyter, 1989. http://dx.doi.org/10.1515/9781501509018-007.

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Whitfield, Pamela. "Laboratory X-ray Powder Diffraction." In NATO Science for Peace and Security Series B: Physics and Biophysics, 53–63. Dordrecht: Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-94-007-5580-2_6.

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Gozzo, Fabia. "Synchrotron X-Ray Powder Diffraction." In NATO Science for Peace and Security Series B: Physics and Biophysics, 65–82. Dordrecht: Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-94-007-5580-2_7.

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Harris, Kenneth D. M. "Powder Diffraction Crystallography of Molecular Solids." In Advanced X-Ray Crystallography, 133–77. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/128_2011_251.

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Steele, James K., and Ronald R. Biederman. "Powder Diffraction Pattern Simulation and Analysis." In Advances in X-Ray Analysis, 101–7. Boston, MA: Springer US, 1994. http://dx.doi.org/10.1007/978-1-4615-2528-8_13.

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Dragoi, Danut. "Peak Broadening in Asymmetric Powder Diffraction." In Advances in X-Ray Analysis, 603–7. Boston, MA: Springer US, 1993. http://dx.doi.org/10.1007/978-1-4615-2972-9_68.

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Post, J. E., and D. L. Bish. "9. RIETVELD REFINEMENT OF CRYSTAL STRUCTURES USING POWDER X-RAY DIFFRACTION DATA." In Modern Powder Diffraction, edited by David L. Bish and Jeffrey E. Post, 277–308. Berlin, Boston: De Gruyter, 1989. http://dx.doi.org/10.1515/9781501509018-012.

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Zuev, Alexander. "Chapter 6. Instrumental Contributions to the Line Profile in X-Ray Powder Diffraction. Example of the Diffractometer with Bragg–Brentano Geometry." In Powder Diffraction, 166–205. Cambridge: Royal Society of Chemistry, 2008. http://dx.doi.org/10.1039/9781847558237-00166.

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Conference papers on the topic "X-ray powder diffraction"

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Zamponi, Flavio, Zunaira Ansari, Jens Dreyer, Michael Woerner, and Thomas Elsaesser. "Femtosecond X-Ray Powder Diffraction." In Quantum Electronics and Laser Science Conference. Washington, D.C.: OSA, 2010. http://dx.doi.org/10.1364/qels.2010.qwg2.

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Dent, Andrew J., G. Neville Greaves, John W. Couves, and John M. Thomas. "Combined x-ray absorption spectroscopy and x-ray powder diffraction." In Synchrotron radiation and dynamic phenomena. AIP, 1992. http://dx.doi.org/10.1063/1.42521.

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Dent, Andrew J., Gareth E. Derbyshire, G. Neville Greaves, Christine A. Ramsdale, J. W. Couves, Richard Jones, C. R. A. Catlow, and John M. Thomas. "Combined x-ray absorption spectroscopy and x-ray powder diffraction." In San Diego, '91, San Diego, CA, edited by Dennis M. Mills. SPIE, 1991. http://dx.doi.org/10.1117/12.49471.

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Zamponi, Flavio, Philip Rothhardt, Johannes Stingl, Michael Woerner, and Thomas Elsaesser. "Femtosecond x-ray powder diffraction on KDP." In Quantum Electronics and Laser Science Conference. Washington, D.C.: OSA, 2011. http://dx.doi.org/10.1364/qels.2011.qtun1.

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Zamponi, Flavio, Johannes Stingl, Benjamin Freyer, Michael Woerner, Thomas Elsaesser, and Andreas Borgschulte. "Femtosecond X-Ray Powder Diffraction on LiBH4." In International Conference on Ultrafast Structural Dynamics. Washington, D.C.: OSA, 2012. http://dx.doi.org/10.1364/icusd.2012.im2d.5.

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Kamiyama, T., Abarrul Ikram, Agus Purwanto, Sutiarso, Anne Zulfia, Sunit Hendrana, and Zeily Nurachman. "Pulsed Neutron Powder Diffraction for Materials Science." In NEUTRON AND X-RAY SCATTERING 2007: The International Conference. AIP, 2008. http://dx.doi.org/10.1063/1.2906068.

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Zamponi, F., Z. Ansari, J. Dreyer, M. Woerner, and T. Elsaesser. "X-Ray Powder Diffraction with Femtosecond Time Resolution." In International Conference on Ultrafast Phenomena. Washington, D.C.: OSA, 2010. http://dx.doi.org/10.1364/up.2010.ma5.

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Zamponi, Flavio, Johannes Stingl, Benjamin Freyer, Michael Woerner, Thomas Elsaesser, and Andreas Borgschulte. "LiBH4 Studied by Femtosecond X-Ray Powder Diffraction." In Quantum Electronics and Laser Science Conference. Washington, D.C.: OSA, 2012. http://dx.doi.org/10.1364/qels.2012.qth4h.3.

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FITCH, A. N. "STRUCTURE DETERMINATION BY POWDER SYNCHROTRON X-RAY DIFFRACTION." In Proceedings of the Sixth Summer School of Neutron Scattering. WORLD SCIENTIFIC, 1998. http://dx.doi.org/10.1142/9789814447270_0002.

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Kennedy, B. J., Abarrul Ikram, Agus Purwanto, Sutiarso, Anne Zulfia, Sunit Hendrana, and Zeily Nurachman. "Powder Diffraction Studies of Phase Transitions in Manganese Perovskites." In NEUTRON AND X-RAY SCATTERING 2007: The International Conference. AIP, 2008. http://dx.doi.org/10.1063/1.2906095.

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Reports on the topic "X-ray powder diffraction"

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Morris, Marlene C., Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin, Harry S. Parker, Winnie Wong-Ng, Donna M. Gladhill, and Camden R. Hubbard. Standard x-ray diffraction powder patterns :. Gaithersburg, MD: National Bureau of Standards, 1985. http://dx.doi.org/10.6028/nbs.mono.25-21.

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Phillips, Ian. Data Report: X-Ray Powder Diffraction. Office of Scientific and Technical Information (OSTI), November 2019. http://dx.doi.org/10.2172/1648320.

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Sullenger, D. B., J. S. Cantrell, T. A. Beiter, and D. W. Tomlin. Quality experimental and calculated powder x-ray diffraction. Office of Scientific and Technical Information (OSTI), August 1996. http://dx.doi.org/10.2172/274162.

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Stutzman, Paul E. X-ray powder diffraction analysis of three portland cement reference material clinkers. Gaithersburg, MD: National Institute of Standards and Technology, 1992. http://dx.doi.org/10.6028/nist.ir.4785.

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Stutzman, Paul E., and Stefan Leigh. Phase composition analysis of the NIST reference clinkers by optical microscopy and X-ray powder diffraction. Gaithersburg, MD: National Institute of Standards and Technology, 2002. http://dx.doi.org/10.6028/nist.tn.1441.

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Ao, Tommy, Marius Schollmeier, Patrycja E. Kalita, Paul D. Gard, James Robert Williams, Caroline Bolton Blada, Heath L. Hanshaw, et al. X-ray diffraction of dynamically compressed matter on Sandia?s Z Pulsed Power Facility. Office of Scientific and Technical Information (OSTI), October 2019. http://dx.doi.org/10.2172/1569784.

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Shomer, Ilan, Ruth E. Stark, Victor Gaba, and James D. Batteas. Understanding the hardening syndrome of potato (Solanum tuberosum L.) tuber tissue to eliminate textural defects in fresh and fresh-peeled/cut products. United States Department of Agriculture, November 2002. http://dx.doi.org/10.32747/2002.7587238.bard.

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Abstract:
The project sought to understand factors and mechanisms involved in the hardening of potato tubers. This syndrome inhibits heat softening due to intercellular adhesion (ICA) strengthening, compromising the marketing of industrially processed potatoes, particularly fresh peeled-cut or frozen tubers. However, ICA strengthening occurs under conditions which are inconsistent with the current ideas that relate it to Ca-pectate following pectin methyl esterase (PME) activity or to formation of rhamnogalacturonan (RG)-II-borate. First, it was necessary to induce strengthening of the middle lamellar complex (MLX) and the ICA as a stress response in some plant parenchyma. As normally this syndrome does not occur uniformly enough to study it, we devised an efficient model in which ICA-strengthening is induced consistently under simulated stress by short-chain, linear, mono-carboxylic acid molecules (OAM), at 65 oC [appendix 1 (Shomer&Kaaber, 2006)]. This rapid strengthening was insufficient for allowing the involved agents assembly to be identifiable; but it enabled us to develop an efficient in vitro system on potato tuber parenchyma slices at 25 ºC for 7 days, whereas unified stress was reliably simulated by OAMs in all the tissue cells. Such consistent ICA-strengthening in vitro was found to be induced according to the unique physicochemical features of each OAM as related to its lipophilicity (Ko/w), pKa, protonated proportion, and carbon chain length by the following parameters: OAM dissociation constant (Kdiss), adsorption affinity constant (KA), number of adsorbed OAMs required for ICA response (cooperativity factor) and the water-induced ICA (ICAwater). Notably, ICA-strengthening is accompanied by cell sap leakage, reflecting cell membrane rupture. In vitro, stress simulation by OAMs at pH<pKa facilitated the consistent assembly of ICAstrengthening agents, which we were able to characterize for the first time at the molecular level within purified insoluble cell wall of ICA-strengthened tissue. (a) With solid-state NMR, we established the chemical structure and covalent binding to cell walls of suberin-like agents associated exclusively with ICA strengthening [appendix 3 (Yu et al., 2006)]; (b) Using proteomics, 8 isoforms of cell wall-bound patatin (a soluble vacuolar 42-kDa protein) were identified exclusively in ICA-strengthened tissue; (c) With light/electron microscopy, ultrastructural characterization, histochemistry and immunolabeling, we co-localized patatin and pectin in the primary cell wall and prominently in the MLX; (d) determination of cell wall composition (pectin, neutral sugars, Ca-pectate) yielded similar results in both controls and ICA-strengthened tissue, implicating factors other than PME activity, Ca2+ or borate ions; (e) X-ray powder diffraction experiments revealed that the cellulose crystallinity in the cell wall is masked by pectin and neutral sugars (mainly galactan), whereas heat or enzymatic pectin degradation exposed the crystalline cellulose structure. Thus, we found that exclusively in ICA-strengthened tissue, heat-resistant pectin is evident in the presence of patatin and suberinlike agents, where the cellulose crystallinity was more hidden than in fresh control tissue. Conclusions: Stress response ICA-strengthening is simulated consistently by OAMs at pH< pKa, although PME and formation of Ca-pectate and RG-II-borate are inhibited. By contrast, at pH>pKa and particularly at pH 7, ICA-strengthening is mostly inhibited, although PME activity and formation of Ca-pectate or RG-II-borate are known to be facilitated. We found that upon stress, vacuolar patatin is released with cell sap leakage, allowing the patatin to associate with the pectin in both the primary cell wall and the MLX. The stress response also includes formation of covalently bound suberin-like polyesters within the insoluble cell wall. The experiments validated the hypotheses, thus led to a novel picture of the structural and molecular alterations responsible for the textural behavior of potato tuber. These findings represent a breakthrough towards understanding of the hardening syndrome, laying the groundwork for potato-handling strategies that assure textural quality of industrially processed particularly in fresh peeled cut tubers, ready-to-prepare and frozen preserved products.
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Quantitative x-ray powder diffraction methods for clinker and cement. Gaithersburg, MD: National Institute of Standards and Technology, 1994. http://dx.doi.org/10.6028/nist.ir.5403.

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