Calculation of the X-ray powder diffraction patterns of ceramics by means of the Debye Scattering Equation
Refractories for industrials : 52. International Colloquium on Refractotries 2009 ; September 23. - 24. 2009, Aachen. Bonn: Forschungsgemeinschaft Feuerfest e.V. 2009 S. 76 - 79
Erscheinungsjahr: 2009
ISBN/ISSN: 978-3-00-028128-0
Publikationstyp: Buchbeitrag (Konferenzbeitrag)
Sprache: Englisch
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Inhaltszusammenfassung
Quantitative analysis of the X-ray powder diffraction patterns of ceramic materials is conventionally carried out by means of the Rietveld Method. Although this has met with widespread success, difficulties are frequently encountered, for example, in systems containing clay minerals, due to structural disorder and small particle sizes. More generally, refinement problems in other systems are also encountered when there are too many variables present. A complementary approach is described, ba...Quantitative analysis of the X-ray powder diffraction patterns of ceramic materials is conventionally carried out by means of the Rietveld Method. Although this has met with widespread success, difficulties are frequently encountered, for example, in systems containing clay minerals, due to structural disorder and small particle sizes. More generally, refinement problems in other systems are also encountered when there are too many variables present. A complementary approach is described, based on the Debye Scattering Equation. The large computational overhead associated with conventional computer algorithms means that this equation has, until now, only been applied to nanocrystalline systems. However, steps have been taken in the current work to overcome this limitation. As a result the diffraction patterns of conventional ceramic and other systems can also be calculated. The method has three main advantages. 1. No assumptions about reflection profiles need to be made. 2. The freedom introduced by not using the Bragg Equation allows the modelling of disordered systems with all degrees of complexity. 3. The method is particularly suitable for modelling systems with small crystallites, such as nanocystalline powders or clay minerals, where broad and additional, non-Bragg reflections are encountered. Examples are drawn from a range of ceramic materials, in order to elucidate the approach. » weiterlesen» einklappen
Klassifikation
DFG Fachgebiet:
Physik der kondensierten Materie
DDC Sachgruppe:
Physik
