A multiscale procedure based on the stochastic kinetic mean field and the phase-field models for coarsening

Bence Gajdics, János J. Tomán, Helena Zapolsky, Zoltán Erdélyi, Gilles Demange

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We report a quantitative multiscale (MS) procedure based on the recently developed Stochastic Kinetic Mean Field approach (SKMF) [Erdélyi, M. Pasichnyy, V. Bezpalchuk, J. J. Tomán, B. Gajdics, and A. M. Gusak, Comput. Phys. Commun. 204, 31-37 (2016)], combined with the Phase Field model (PFM) and CALPHAD database, to study the nucleation-growth-coarsening process in alloys. The SKMF approach reproduces the nucleation and early growth of precipitates in the matrix, and the PFM then simulates the coarsening of the microstructure. To ensure the consistency of the procedure, the length and time scales of SKMF and PFM are explicitly connected. Moreover, both the effective interaction energies used in the SKMF and the free energy used in the PFM are taken from CALPHAD database. Two different implementations of the procedure are proposed. First, the postnucleation microstructure as provided by SKMF is used as the initial condition for subsequent PFM simulations. Second, only the particle size distribution and particle density are transferred to PFM, thereby giving access to bigger systems. The proposed procedure is tested in the specific case of the Ag-Cu model alloy.

Original languageEnglish
Article number065106
JournalJournal of Applied Physics
Issue number6
Publication statusPublished - Aug 14 2019


ASJC Scopus subject areas

  • Physics and Astronomy(all)

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