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.
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14 August 2019
Research Article|
August 13 2019
A multiscale procedure based on the stochastic kinetic mean field and the phase-field models for coarsening Available to Purchase
Bence Gajdics;
Bence Gajdics
1
Department of Solid State Physics, University of Debrecen
, P.O. Box 400, H-4002 Debrecen, Hungary
2
GPM, UMR CNRS 6643, University of Rouen
, 76575 Saint Étienne du Rouvray, France
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János J. Tomán
;
János J. Tomán
1
Department of Solid State Physics, University of Debrecen
, P.O. Box 400, H-4002 Debrecen, Hungary
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Helena Zapolsky;
Helena Zapolsky
2
GPM, UMR CNRS 6643, University of Rouen
, 76575 Saint Étienne du Rouvray, France
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Zoltán Erdélyi;
Zoltán Erdélyi
1
Department of Solid State Physics, University of Debrecen
, P.O. Box 400, H-4002 Debrecen, Hungary
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Gilles Demange
Gilles Demange
a)
2
GPM, UMR CNRS 6643, University of Rouen
, 76575 Saint Étienne du Rouvray, France
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Bence Gajdics
1,2
János J. Tomán
1
Helena Zapolsky
2
Zoltán Erdélyi
1
Gilles Demange
2,a)
1
Department of Solid State Physics, University of Debrecen
, P.O. Box 400, H-4002 Debrecen, Hungary
2
GPM, UMR CNRS 6643, University of Rouen
, 76575 Saint Étienne du Rouvray, France
J. Appl. Phys. 126, 065106 (2019)
Article history
Received:
April 12 2019
Accepted:
July 20 2019
Citation
Bence Gajdics, János J. Tomán, Helena Zapolsky, Zoltán Erdélyi, Gilles Demange; A multiscale procedure based on the stochastic kinetic mean field and the phase-field models for coarsening. J. Appl. Phys. 14 August 2019; 126 (6): 065106. https://doi.org/10.1063/1.5099676
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