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A software for diffraction stress factor calculations for textured materials

Published online by Cambridge University Press:  15 June 2012

Thomas Gnäupel-Herold
Thomas Gnäupel-Herold*
Affiliation:
Materials Science and Engineering, University of Maryland, Building 090, Room 2135, College Park, Maryland 20742 Center for Neutron Research, NIST, 100 Bureau Dr stop 6102, Gaithersburg, Maryland 20899-6102
*
a) Author to whom correspondence should be addressed. Electronic mail: tg-h@nist.gov
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Abstract

A software for the calculation of diffraction elastic constants (DEC) for materials both with and without preferred orientation was developed. All grain-interaction models that can use the crystallite orientation distribution function (ODF) are incorporated, including Kröner, Hill, inverse Kröner, and Reuss. The functions of the software include: reading the ODF in common textual formats, pole figure calculation, calculation of DEC for different (hkl,φ,ψ), calculation of anisotropic bulk constants from the ODF, calculation of macro-stress from lattice strain and vice versa, as well as mixture ratios of (hkl) of overlapped reflections in textured materials.

Keywords

diffractionelastic constantstexturestrainstress

Information

Type
Technical Articles
Information
Powder Diffraction , Volume 27 , Issue 2 , June 2012 , pp. 114 - 116
Copyright
Copyright © International Centre for Diffraction Data 2012

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