Journal
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
Volume 59, Issue -, Pages 164-170Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2017.10.005
Keywords
Moving interface; Local equilibrium; Diffusion; Multicomponent
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Funding
- POSCO
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A new method is presented to simulate moving interfaces during diffusion-controlled growth under local equilibrium conditions. The position and compositions of the interface are obtained directly from the equilibrium state of the subsystem around the moving interface, without iterative calculation between diffusion fluxes and solute balance conditions. The method is applicable to general multi-component systems, and it ensures the consistency in compositions and solute balance at the interfaces; Those are ascribed to the presented consideration of subsystem around the interface region in a discretized form. Explicit equations of interface compositions and position in discretized variables are also presented for the simplified ternary systems of two solution and compound/solution. The validity and usefulness of the method is demonstrated by simulations of the two important ternary systems; The simulation results illustrate the features of diffusion-controlled growth with different alloy compositions and diffusivities of solutes in both systems.
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