title: A line-broadening analysis model for the microstructural characterization of nanocrystalline materials from asymmetric x-ray diffraction peaks.
abstract: Nanograin sizes and crystal lattice microstrains in nanocrystalline materials are typically evaluated from the broadening of their x-ray diffraction (XRD) peaks under the assumption of symmetrical diffraction profiles. Since this assumption is not entirely satisfactory, we formulate a line-broadening analysis model of a single peak that considers explicitly the XRD peak asymmetry. The model is a generalization of the variance method in which the shape of the XRD peaks is idealized through asymmetrical split pseudo-Voigt functions. The model is validated on two nanocrystalline powders.
authors.affiliation: Departamento de Física Aplicada, Universidad de Extremadura, 06006 Badajoz, Spain.
authors.forename: Juan
authors.initials: J
authors.lastname: Pantoja-Cortés
authors.forename: Florentino
authors.initials: F
authors.lastname: Sánchez-Bajo
authors.forename: Angel L
authors.initials: AL
authors.lastname: Ortiz
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D003460:Crystallization; D008420:Manufactured Materials; D008422:Materials Testing / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D014961:X-Ray Diffraction / Q000379:methods*