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  • International Union of Crystallography (IUCr)  (11)
  • Nature Publishing Group
  • 2000-2004  (13)
  • 1
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 1059-1066 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: New methods of diffraction stress analysis of polycrystalline materials, consisting of cubic elastically anisotropic crystallites, are proposed and compared with existing methods. Whereas for the existing methods knowledge of the diffraction elastic constants is presupposed, three new methods are presented that require only knowledge of the (macroscopic) mechanical elastic constants. The stress values obtained with these new methods on the basis of the mechanical elastic constants are more reliable than those obtained with the methods on the basis of the diffraction elastic constants. New and existing methods are illustrated by means of measurements of X-ray diffraction from a magnetron-sputtered TiN layer.
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  • 2
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 108-111 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is proposed that removes the substrate peaks from a diffraction pattern recorded from a substrate covered with a thin layer, using a separate measurement of the uncovered substrate. The obtained diffractogram without substrate peaks can then be used for the characterization of the microstructure of the thin layer. As an example, the method is shown to yield good results for a TiN layer deposited on a tool-steel substrate.
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  • 3
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 34 (2001), S. 536-536 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 34 (2001), S. 767-770 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Computer simulations are a versatile tool to enhance the teaching of diffraction physics and related crystallographic topics to students of chemistry, materials science, physics and crystallography. Interactive computer simulations are presented, which have been added to a World Wide Web (WWW) based tutorial. A simple WWW interface is used to choose appropriate values for selected simulation parameters. The resulting structure and diffraction pattern are then plotted on the screen. Simulated structures range from a single atom to complex disordered or modulated structures. The simple interface requires no special computing knowledge and allows students to explore systematically the relationship between a real-space structure and the corresponding diffraction pattern. The large function set of the underlying simulation program (DISCUS) makes it easy to tailor the tutorial to a given syllabus by modifying or extending the current interactive examples.
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  • 5
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 8 (2001), S. 1203-1206 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The possibility of concentrating a synchrotron X-ray beam using diffraction by a single crystal with a properly designed transverse groove on its surface, suggested earlier, has been studied experimentally. Here, the first experimental demonstration of this effect is reported, performed on beamline BM5 at the ESRF. The experimental result confirms the theoretical model.
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  • 6
    Electronic Resource
    Electronic Resource
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 8 (2001), S. 398-400 
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Resonantly excited metal K core line spectra of NiO, MnO, CoO and other compounds have been investigated at the beamlines X21 (NSLS/BNL), BW1 and W1.1 (HASYLAB/DESY). From analysis of spectral data we have drawn the following conclusions: -spin conservation is valid in the scattering process, for excitations below the absorption threshold as well as above it, -the absorption thresholds are different for spin-up and spin-down components of resonantly scattered spectra, -quadrupole transitions are very important or even crucial in the excitation process. Provided that these conclusions are true, a novel technique for quantitative resolution of NEXAFS spectra into spin-up and spin-down components has been developed. Since the method employs spin conservation and local spin references, it needs no circularly polarized radiation and no sample magnetization for taking both the RXS and NEXAFS spectra. Hence antiferromagnetic and paramagnetic materials can be investigated as well. Utilizing linear dichroism by angular-dependent measurements on single-crystal samples additional resolution of NEXAFS spectra is possible with respect to the orbital symmetry. Application of the method to paramagnetic MnO, for the first time, provides new and unambiguous experimental results confirming modern (LSDA+U) calculations: The metal K pre-edge XAS of MnO has predominantly 3d(t2g and eg) spin-down character. On the other hand, the delocalized p-like states, arising from the p-d band effect hybridization have spin-up character.
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  • 7
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 569-573 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: We applied small-angle neutron scattering (SANS) contrast variation to samples where a microphase separation occurred. The samples contain multilamellar vesicles in equilibrium with excess "solvent" that produce a very common powder pattern in SANS: a Debye-Sherrer ring produced by the regular bilayer packing superposed to a sharply decaying Porod behaviour. These two features of the SANS pattern have distinct contrast match points (CMP). We exploit here the small angle signal to determine the partition of sugars between two coexisting microphases. The net result is an exclusion of small sugar molecules from the liquid crystalline domains of the sample. We discuss this exclusion in relation with the observed maximum swelling, headgroup hydration and bilayer softening induced by the presence of the sugar molecules.
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  • 8
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 582-586 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: We have developed a cell allowing in situ measurement of the osmotic pressure of solutions under Ultra Small-Angle X-ray Scattering (USAXS) examination. The coupled set-up made of a Bonse/Hart camera and a deionisation close circuit allows the combined determination of the structure factor and the equation of state of colloidal suspensions. A precise control of ions concentration inside the reservoir allows to vary the ionic strength of the suspensions from the very pure case of colloidal crystals to sols with tunable screening of electrostatic repulsive interactions. We describe in detail the experimental set-ups and the data treatment methodology that we have been developing in the last years to allow detailed measurements of interactions and correlations between spherical particles. A review of our recent results obtained on the model system of negatively charged parabromostyrene latex particles forming solutions, crystals and microcrystals, is given as an illustration.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 96-98 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The definition of `symmetry element' given in the Report of the IUCr Ad-Hoc Committee on the Nomenclature of Symmetry by de Wolff et al. [Acta Cryst. (1989). A45, 494–499] is shown to contain an ambiguity in the case of space groups P6/m, P6/mmm, P6/mcc and point groups 6/m and 6/mmm. The ambiguity is removed by redefining the `geometric element' as a labelled geometric item in which the label is related to the rotation angle of the rotation or rotoinversion symmetry operation. The complete set of different types of glide plane is shown to contain three more than the 15 that are illustrated in the 1992 Report by de Wolff et al. [Acta Cryst. (1992). A48, 727–732].
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  • 10
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 296-306 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A revision is presented of the original description by Warren [X-ray Diffraction, (1969), pp. 275–298. Massachusetts: Addison-Wesley] of the intensity distribution of powder-pattern reflections from f.c.c. metal samples containing stacking and twin faults. The assumptions (in many cases unrealistic) that fault probabilities need to be very small and equal for all fault planes and that the crystallites in the sample have to be randomly oriented have been removed. To elucidate the theory, a number of examples are given, showing how stacking and twin faults change the shape and position of diffraction peaks. It is seen that significant errors may arise from Warren's assumptions, especially in the peak maximum shift. Furthermore, it is explained how to describe powder-pattern reflections from textured specimens and specimens with non-uniform fault probabilities. Finally, it is discussed how stacking- and twin-fault probabilities (and crystallite sizes) can be determined from diffraction line-profile measurements.
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