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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Algorithm Development in Materials Science and Engineering
Presentation Title Multi-scale Modelling of Coarsening Process in the Ag-Cu Alloy
Author(s) Bence Daniel Gajdics, Helena Zapolsky, Zoltán Erdélyi, Gilles Demange, János J. Tomán
On-Site Speaker (Planned) Gilles Demange
Abstract Scope We report a new multi-scale procedure based on the recently developed Stochastic Kinetic Mean Field (SKMF) approach, combined with the Phase Field model (PFM) and CALPHAD database, to study the nucleation-growth-coarsening process in the Ag-Cu alloy. The SKMF approach reproduces the nucleation and early growth of copper precipitates in the silver matrix, and the PFM then simulates the coarsening of the microstructure. The length and time scales of SKMF and PFM are connected by matching the interface profiles and growth velocity of an isolated growing precipitate as simulated by both methods. Moreover, the free energy used in the PFM is derived from the interaction energies used in SKMF. Two implementations are proposed. First, the post-nucleation 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.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

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