Closed KulaginVladimir closed 3 months ago
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I noticed that SurfaceKinetics
breaks the right content menu in API, so the subsection Flux
doesn't open
I noticed that
SurfaceKinetics
breaks the right content menu in API, so the subsectionFlux
doesn't open
Right this doesn't occur on main. This is a wild guess but could it be because of the warning block? Does this appear when you compile locally?
@KulaginVladimir this is very good thank you so much for this AWESOME contribution! This opens up so many possibilities with FESTIM! 🚀
Would you mind attaching to this PR an example script for us to play with, like the Ti validation case or maybe the model from @ehodille ?
@RemDelaporteMathurin, I can attach both scripts as there are some differences. Or I can make a separate repository with these cases.
We can either add a Theory section in this PR or do it in another one. Either is fine with me.
I'd like to add theory and UG in a separate PR to avoid possible conflicts. Is it OK?
I can attach both scripts as there are some differences. Or I can make a separate repository with these cases.
Whatever's easiest for you.
I'd like to add theory and UG in a separate PR to avoid possible conflicts. Is it OK?
No problem!
This repository (https://github.com/KulaginVladimir/FESTIM-SurfaceKinetics-Validation) includes all cases that I attempted to reproduce with this surface model.
I managed to reproduce the figures! This is a slick implementation!
Proposed changes
This PR represents the initial attempt on implementing Surface Kinetics feature as a new boundary condition in FESTIM and is aimed at starting the discussion. Additionally, a specific
DerivedQuantity
is introduced to export the surface concentration of H.To-do list:
SurfaceKinetics
BC is set with other BCs on the same surfaceSurfaceKinetics
BC is used not in 1D simulationsAdsorbedHydrogen
is called without settingSurfaceKinetics
on this surface (@RemDelaporteMathurin, is this needed?)Types of changes
What types of changes does your code introduce to FESTIM?
Checklist