Metallische Werkstoffe: DECcalc

A software for the calculation of diffraction elastic constants from single crystal coefficients

T. Manns, B. Scholtes

HTM J. Heat Treatm. Mat. 65 (2010) 2 (formerly HTM Z. Werkst. Wärmebeh. Fertigung)

Abstract

The program DECcalc is a compact and easy to use tool for the calculation of diffraction elastic constants s1 and 1/2s2 of single phase and texture free materials. It is designed to compute DEC values for up to ten {hkl} lattice planes at once applying the models of Voigt, Reuss and Kröner on a chosen material. A database which contains the single crystal elastic constants for each material covers more than 100 data sets presently and can be extended by the user easily. The program generates a tabular output of calculated isotropic and anisotropic elastic constants and allows furthermore a graphical presentation of the DEC in 2D- and 3D-plots in dependence of their respective orientation parameters. An export function enables the user to generate a tab-separated output file of the result table. Comparisons of values and diagrams calculated by DECcalc with those published in literature confirm the proper function of the program for crystal symmetries from cubic to orthorhombic.

Keywords

Diffraction elastic constants (DEC), X-ray elastic constants (XEC), DECcalc, single crystal coefficients, anisotropy

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