Potential of full pattern fit methods for the texture analysis of geological materials: implications from texture measurements at the recently upgraded neutron time-of-flight diffractometer SKAT.

Keppler, Ruth, Ullemeyer, Klaus, Behrmann, Jan H. and Stipp, Michael (2014) Potential of full pattern fit methods for the texture analysis of geological materials: implications from texture measurements at the recently upgraded neutron time-of-flight diffractometer SKAT. Journal of Applied Crystallography, 47 (5). pp. 1520-1534. DOI 10.1107/S1600576714015830.

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Abstract

The application of Rietveld texture analysis (RTA) to time-of-flight (TOF) neutron diffraction data allows complex materials with many diffraction peaks to be investigated, for example, rocks composed of different minerals. At the recently upgraded SKAT texture diffractometer at the JINR in Dubna (Russia), which provides three alternative multidetector systems, resolution and accessible range of lattice d spacings can be adapted to sample requirements. In order to infer the optimum experimental setup and the reliability of texture estimates from complicated TOF patterns, the influence of counting statistics and various spectral resolutions on texture deconvolution was investigated. Comparing the results obtained at different resolutions and from different sections of the d patterns indicates that the textures of a four-phase sample can be determined, but using a section at small d spacings with a larger number of peak overlaps leads to smoother textures. A complex seven-phase sample shows orientation differences in addition to the smoothing effect. Weak textures and textures of the minor rock constituents are inaccurate owing to multiple peak overlaps. Consequently, good resolution is essential for RTA on such samples. Grid thinning tests confirmed that no more than 150 diffraction spectra are needed to characterize the texture of a monomineralic sample, and approximately 350 spectra are sufficient for a four-phase sample. The irregular grid point arrangement caused by the SKAT geometry has no negative consequences.

Document Type: Article
Additional Information: WOS:000342845900005
Keywords: texture analysis; neutron time-of-flight diffractometers; geological materials; full pattern fit methods
Research affiliation: OceanRep > GEOMAR > FB4 Dynamics of the Ocean Floor > FB4-GDY Marine Geodynamics
Refereed: Yes
Open Access Journal?: No
DOI etc.: 10.1107/S1600576714015830
ISSN: 1600-5767
Date Deposited: 07 Nov 2014 07:33
Last Modified: 08 Jun 2018 08:54
URI: http://oceanrep.geomar.de/id/eprint/25984

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