Hi all,
I was reading the tech manual and I'm wondering if anyone has more insight into the following commands:
Surface_Roughness_Pitschke_et_al(a1c, a1v, a2c, a2v)
Surface_Roughness_Suortti(a1c, a1v, a2c, a2v)
I've partly read the references that relate to them but am still trying to understand how:
TOPAS integrates these for the overall script and what the numerical results represent. Specifically, I mean when either of the above commands are placed (1) outside of the str functions (is this the estimated roughness of the material as a whole) and (2) when it's placed inside a str function for a given phase? I've assumed 0.5, in the middle, as a good initial condition.
How much this can be related to a material's roughness and surface physiochemistry. Specifically, the solid material's roughness ratio, r, used in Wenzel's model of material wetting and its relation to the contact area between the solid and a given liquid (I won't put all the details here for conciseness). Or are these functions just used for intensity corrections? What's the units of a1v and a2v? I'm not getting much from the TOPAS wiki.
If there's any other commands, other than the above, that is good to get a better understanding of the solid's surface mechanics and chemistry, other than the obvious analytics such as the wt.% composition analytes and elemental_composition (etc.).