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Non-spherical particles #1072
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This should be ok to implement. Mainly requires adding cylindrical operators for grad, div and integral. How do you define surface area to volume ratio in this case? |
Circumference divided by area, i.e. 2eps_s/r_p, as opposed to the 3eps_s/r_p for spherical particles |
I was actually proposing non-spherical particles as a summer project for an undergraduate student. I mainly just wanted to check it wasn't already being done. |
Sounds good. Not being done as far as I'm aware. Would "cylindrical particles" be a better name for the issue? Since "non-spherical" can mean anything. I can't tell if you are proposing to do this in your fork of pybamm, or somewhere else first, but in pybamm it should be quite simple:
then you can just replace the default geometry with the cylindrical one and it should work |
Thanks Tino. My proposed geometry is actually circular (2-D) as opposed to cylindrical, as I'm assuming the thickness of the coin to be negligible. I chose the title "Non-spherical particles" as others may want to implement different geometries; circular graphite just happens to be what interests me. |
The student and I have started coding the cylindrical geometry, but there's the line in the function integral in finite_volume.py corresponding to the normal spherical geometry that's confusing us: out = 4 * np.pi ** 2 * integration_vector @ (discretised_child * r) We don't understand why it's not out = 4 * np.pi * integration_vector @ (discretised_child * r ** 2) Until we understand how the normal spherical integral works, we can't implement the cylindrical one. |
Oooops, that looks like a typo, right @Scottmar93 @rtimms ? |
yep looks like a typo to me |
presumably there is a typo in the tests too, as this should’ve been picked up? |
So what is the correct formulation? Mathematically, the integral is \int_0^1 4 \pi r^2 ,\mathrm{d}r using LaTeX notation. Does this translate to out = 4 * np.pi * integration_vector @ (discretised_child * r ** 2) in PyBaMM? |
Yes, that should be correct |
What is the integral used for anyway? I ask because we're treating the height of the cylinder as infinitesimally small, but I don't imagine your code will like that... |
The spherical integral only comes into the model through the |
Hi Pybamm team and thanks @tinosulzer for your help! |
Yep, sounds great, thanks! Just open a pull request when you are ready |
The issue with the spherical integral has now be fixed separately and merged into develop. Thanks again for pointing it out |
Summary
Include other geometries for electrode particles
Motivation
Tomography and SEM experiments agree that graphite particles are not spherical.
Additional context
I have devised a model for graphite particles that are coin-shaped, with (de)intercalation at the edge
of the coin, as opposed to spherical, but have not had a chance to test it yet.
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