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The use of computational methods for the powder X-ray diffraction data analysis is now generalized. It typically compares the experimental data to the simulated diffractogram of a model structure, taking into account the instrumental parameters, and refines the structural or microstructural parameters of the model using least squares based ...
X-ray diffraction is a generic term for phenomena associated with changes in the direction of X-ray beams due to interactions with the electrons around atoms. It occurs due to elastic scattering , when there is no change in the energy of the waves.
The different electron states which exist in an atom are usually described by atomic orbital notation, as is used in chemistry and general physics. However, X-ray science has special terminology to describe the transition of electrons from upper to lower energy levels: traditional Siegbahn notation, or alternatively, simplified X-ray notation.
Rietveld refinement is a technique described by Hugo Rietveld for use in the characterisation of crystalline materials. The neutron and X-ray diffraction of powder samples results in a pattern characterised by reflections (peaks in intensity) at certain positions.
It is an X-ray-diffraction [2] method and commonly used to determine a range of information about crystalline materials. The term WAXS is commonly used in polymer sciences to differentiate it from SAXS but many scientists doing "WAXS" would describe the measurements as Bragg/X-ray/powder diffraction or crystallography .
A Wulff net is used to read a pole figure. The stereographic projection of a trace is an arc. The Wulff net is arcs corresponding to planes that share a common axis in the (x,y) plane. If the pole and the trace of a plane are represented on the same diagram, then we turn the Wulff net so the trace corresponds to an arc of the net;
The characterization technique optical microscopy showing the micron scale dendritic microstructure of a bronze alloy. Characterization, when used in materials science, refers to the broad and general process by which a material's structure and properties are probed and measured.
Note that X-ray diffraction is sometimes considered a sub-set of X-ray scattering, where the scattering is elastic and the scattering object is crystalline, so that the resulting pattern contains sharp spots analyzed by X-ray crystallography (as in the Figure).