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.).