Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 143, Issue -, Pages 446-453Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2017.11.043
Keywords
Thermodynamic modeling; Diffusion; Kinetics; Microstructure; Computer simulations
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Funding
- VINNOVA, the Swedish Governmental Agency for Innovation Systems, Swedish industry
- KTH Royal Institute of Technology
- Forsmarks Kraftgupp AB
- OKG AB
- Ringhals AB
- Swedish Radiation Safety Authority
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The Cahn-Hilliard equation is solved with thermodynamic and kinetic input, using the Thermo-Calc and DICTRA software packages rather than simpler models e.g. regular solution. A concentration dependent expression for the gradient energy coefficient is introduced and its effect on simulated decomposition is discussed. Simulations were carried out in 2D and 3D using the FiPy software package modified for non-linear problems. (C) 2017 Elsevier B.V. All rights reserved.
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