Size-strain separation in diffraction line profile analysis

J Appl Crystallogr. 2018 May 29;51(Pt 3):831-843. doi: 10.1107/S1600576718005411. eCollection 2018 Jun 1.

Abstract

Separation of size and strain effects on diffraction line profiles has been studied in a round robin involving laboratory instruments and synchrotron radiation beamlines operating with different radiation, optics, detectors and experimental configurations. The studied sample, an extensively ball milled iron alloy powder, provides an ideal test case, as domain size broadening and strain broadening are of comparable size. The high energy available at some synchrotron radiation beamlines provides the best conditions for an accurate analysis of the line profiles, as the size-strain separation clearly benefits from a large number of Bragg peaks in the pattern; high counts, reliable intensity values in low-absorption conditions, smooth background and data collection at different temperatures also support the possibility to include diffuse scattering in the analysis, for the most reliable assessment of the line broadening effect. However, results of the round robin show that good quality information on domain size distribution and microstrain can also be obtained using standard laboratory equipment, even when patterns include relatively few Bragg peaks, provided that the data are of good quality in terms of high counts and low and smooth background.

Keywords: crystalline domain size; line profile analysis; microstrain; powder diffraction.

Grants and funding

This work was funded by U.S. Department of Energy, Office of Science grant DE-AC02-06CH11357. Ministry of Science and Technology, Taiwan grant 104-2628-E-009-003-MY3 to E-Wen Huang.