Diffusion-driven microstructure evolution in OpenCalphad

Publikation: Beiträge in ZeitschriftenZeitschriftenaufsätzeForschungbegutachtet

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The diffusion process in multicomponent alloys has a significant influence on the evolution of the microstructure. The Calphad approach is a powerful method for describing the equilibrium state as well as the kinetics of non-equilibrium systems via the Gibbs energy. In this work, the principles of multicomponent diffusion theory are considered intensively, and an equation for the fluxes in the case of substitutional-interstitial diffusion is given for implementation. Additionally, the calculation of mobility matrices and thermodynamic factors is addressed. As an application case, substitutional diffusion is implemented in OpenCalphad and is used for calculating the growth rate for spherical precipitates from a supersaturated aluminum matrix. The growth rate has been integrated into the Kampmann–Wagner numerical model, which describes nucleation, growth, and coarsening for spherical precipitates. A AlMgZnCu alloy is considered, which has great significance in the field of materials processing.

OriginalspracheEnglisch
Aufsatznummer109236
ZeitschriftComputational Materials Science
Jahrgang175
Anzahl der Seiten10
ISSN0927-0256
DOIs
PublikationsstatusErschienen - 01.04.2020

DOI