fix initial layer radii in R2_FB

R2 means reduction from magnetite to wüstite and like in Kinaci et al.
(2020) we should assume that reduction from hematite to magnetite is
already completed to avoid mixing the reaction processes;
hence, start the simulation with a negligible hematite layer
This commit is contained in:
danielque
2022-03-25 14:17:23 +01:00
parent 7d70846fa3
commit d3a01f0872

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@ -87,7 +87,7 @@ fix pore_diameter ore property/global pore_diameter_ore scalar 1.e-7
fix layerDensities ore property/global density_ore vector 7870. 5740. 5170. 5240.
# define layer properties
fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98
fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.999 0.998 0.001
###############
# Write data into files for post-processing