Incorporation of vacancy generation/annihilation into reactive diffusion\nconcept – Prediction of possible Kirkendall porosity

0470301 - ÚFM 2018 RIV NL eng J - Journal Article
Svoboda, Jiří - Fischer, F. D.
Incorporation of vacancy generation/annihilation into reactive diffusion
concept – Prediction of possible Kirkendall porosity.
Computational Materials Science. Roč. 127, FEB (2017), s. 136-140. ISSN 0927-0256. E-ISSN 1879-0801
R&D Projects: GA ČR(CZ) GA15-06390S
Institutional support: RVO:68081723
Keywords : Modelling * Diffusion * Vacancies * Kinetics * Phase transformation * Reactive diffusion
OECD category: Thermodynamics
Impact factor: 2.530, year: 2017

The reactive diffusion concept represents an approved handy tool for simulation of diffusive phase transformations
in binary systems. The local value of the site fraction of a particular component, obtained by
solution of diffusion equation, determines its affiliation to a phase or to an interface, to which the respective
chemical potentials and kinetic coefficients, used in diffusion equation, can be assigned. The reactive
diffusion concept is now generalized to account for intensity of non-ideal sources and sinks for vacancies,
which allows the treatment of the Kirkendall effect and an according prediction of formation of pores. The
new concept is demonstrated on an instructive example showing the kinetics of phase transformation,
shift of the Kirkendall plane and evolution of site fraction profiles. Local supersaturation by vacancies
indicates the possible formation of pores.
Permanent Link: http://hdl.handle.net/11104/0271221