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Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy

Published online by Cambridge University Press:  29 February 2012

Husin Sitepu
Husin Sitepu*
Affiliation:
Crystallography Laboratory, Virginia Tech, Blacksburg, Virginia 24061
*
a)Also at Research and Development Center, Saudi Aramco, P.O. Box 62, Dhahran 31311, KSA. Electronic mail: sitepu@vt.edu
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Abstract

Preferred orientation or texture is a common feature of experimental powder patterns. The mathematics of two commonly used models for preferred orientation—the March-Dollase and the generalized spherical-harmonic models—is reviewed. Both models were applied individually to neutron powder data from uniaxially pressed molybdite (MoO3) and calcite (CaCO3) powders in Rietveld analyses, as well as the as-received powders. The structural refinement results are compared to single-crystal structures. The results indicate that reasonable refinement of crystal structures can be obtained using either the March model or generalized spherical-harmonic description. However, the generalized spherical-harmonic description provided better Rietveld fits than the March model for the molybdite and calcite. Therefore, the generalized spherical-harmonic description is recommended for correction of preferred orientation in neutron diffraction analysis for both crystal structure refinement and phase composition analysis. Subsequently, the generalized spherical-harmonic description is extended to crystal structure refinement of annealed and the aged polycrystalline Ni-rich Ni50.7Ti49.30 shape memory alloys.

Keywords

preferred orientationtextureneutron powder diffractionMarch modelgeneralized spherical harmonicsmolybditecalciteTi50.70Ni49.30 shape memory alloy

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Type
Technical Articles
Information
Powder Diffraction , Volume 24 , Issue 4 , December 2009 , pp. 315 - 326
Copyright
Copyright © Cambridge University Press 2009

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