The complex crystal structure of Bi6Rh12O29 was determined from laboratory X-ray powder diffraction data with the software package TOPASŪ [1]...
Keywords: Simulated annealing, Todorokite-related structure, Ab initio structure analysis, X-ray powder diffraction, Bismuth rhodium oxide
03/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagA Whole Powder Pattern Modelling of the diffraction pattern has been used to study the effect of grinding on some cubic metal powders: crystalline domain size distribution, unit cell parameter average dislocation density, effective outer cut-off radius, effective (screw-edge) dislocation character and faulting probabilities provide a detailed picture of the microstructure of heavily deformed metals.
Besides proving the effectiveness of the analytical approach, the present study also suggests some generalization in the behaviour of pure powders of cubic metals subjected to an extensive high-energy milling.
Keywords: Line profile analysis, Whole Powder Pattern Modelling, High energy milling, Lattice defects, X-ray powder diffraction
03/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagIt has been attempted to derive the structural properties of bulk multiwall carbon nanotubes (MWCNTs) from a combination of powder diffraction and principal component analysis (PCA)...
Keywords: Multiwall carbon nanotubes, Bulk structural properties, Debye simulations, Principal component analysis, X-ray powder diffraction
03/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagX-ray powder diffraction is a powerful tool for characterising the microstructure of crystalline materials in terms of size and strain...
Keywords: X-ray powder diffraction, Line profile analysis, Nanocrystals, Crystallite size, Subgrains
03/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe measurement of lattice-parameter changes by X-ray powder diffraction as a function of the progress of a phase transformation (e.g...
Keywords: X-ray powder diffraction, Phase transformations, Kinetics, Order-disorder transitions, Ni~1+delta~Sn alloys
03/2007 | Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag