Line Profile Analysis in the Rietveld method and Whole-Powder-Pattern Fitting

被引：24

作者：

Scardi, P ^{[1
]}

Dong, YH ^{[1
]}

Leoni, M ^{[1
]}

机构：

[1] Univ Trent, Dipartimento Ingn Mat, IT-38050 Mesiano, Italy

来源：

EPDIC 7: EUROPEAN POWDER DIFFRACTION, PTS 1 AND 2 | 2001年 / 378-3卷

关键词：

crystallite size; dislocations; faulting; Line Profile Analysis; line shape; Whole-Powder-Pattern Fitting; Whole-Powder-Pattern Modelling;

D O I：

10.4028/www.scientific.net/MSF.378-381.132

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Analytical profiles are used in most programs for Whole Powder Pattern Fitting (WPPF) and Rietveld method used in microstructural as well as in structural studies. The present work deals with the effect of microstructure and lattice defects on the shape, width and position of diffraction profiles, and their role in WPPF. Suitable models of domain size and shape, planar and linear defects can be incorporated in a fast and efficient least squares algorithm for pattern fitting with Voigt functions, currently working for fcc materials. WPPF is then compared with Whole Powder Pattern Modelling, a new approach that gets rid of analytical profiles to fit data, and allows a direct comparison of microstructural models with experimental diffraction data.

引用

页码：132 / 141

页数：10

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