Diffraction for materials scientistsby J. M. Schulz

M. Volker SCHULZ-von der GATHEN Principal Investigator, Ruhr-Universität

Diffraction from Materials

Diffraction describes the perturbation of the propagation of wave motion when the wave encounters an object with different properties from the medium in which the wave is normally propagating. It is a subset of the more general phenomenon of scattering, for example the scattering of accelerated subatomic particles by nuclei that is explored by nuclear physicists or the scattering of visible lig...

Inversion of diffraction data for amorphous materials

The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored-is an important unsolved problem for disordered materials. Such modeling should proceed by using our full knowledge base, both from experiment and theory. In this paper, we describe a robust method to jointly exploit the power of ab initio atomistic simulation along wi...

Swinkels , J . M . and Lam , T . J . G . M .

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A Software for Diffraction Stress Factor Calculations for Textured Materials

A software package 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 format...