A multicomponent phase-field model for extremely large partition coefficients
Michael J. Welland, Dieter Wolf, Jonathan E. Guyer
We develop a multi-component phase-field model specially formulated to robustly simulate concentration variations from molar to atomic magnitudes across an interface, i.e.: partition coefficients in excess of 10 (superscript 10plus23) such as may be the case with species which are predominant in one phase and insoluble in the other. Substitutional interdiffusion on a normal lattice and concurrent interstitial diffusion are included.
Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
, Wolf, D.
and Guyer, J.
A multicomponent phase-field model for extremely large partition coefficients, Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), [online], https://doi.org/10.1103/PhysRevE.89.012409, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=914703
(Accessed November 28, 2023)