Heat of transport as a function of temperature #468
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RemDelaporteMathurin
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Thanks @mougenj for this feature! We needed this!
Can you format your code using black please?
you can format a file by running
black demos/demo_Soret.py
If you don't have black installed run
pip install black
I also made some minor comments.
| @@ -350,7 +350,10 @@ def eval_cell(self, value, x, ufc_cell): | |||
| subdomain_id = self._vm[cell] | |||
| material = self._materials.find_material_from_id(subdomain_id) | |||
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| value[0] = material.free_enthalpy + self._T(x) * material.entropy | |||
| if callable(material.heat_transport): | |||
| value[0] = material.heat_transport(self._T(x)) | |||
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It seems that this line is not tested, is it possible to add or adapt an existing test to test with a heat of transport as a callable?
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| # Demo conditions from https://doi.org/10.1063/5.0071935 | |||
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| from copyreg import constructor | |||
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Do you need that line?
| from copyreg import constructor |
| ) | ||
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| #### PARAMETERS | ||
| import numpy as np |
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I would have this import at the top of the file
| def thermal_cond(T): | ||
| return 10.846*ln(T + DOLFIN_EPS)**2 - 184.22*ln(T + DOLFIN_EPS) + 872.47 | ||
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| constR=8.31446 # J/mol |
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| constR=8.31446 # J/mol | |
| constR = 8.31446 # J/mol |
Formatting
| D_0=8.35e-8, #m2/s | ||
| E_D=0.06, #eV, |
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| D_0=8.35e-8, #m2/s | |
| E_D=0.06, #eV, | |
| D_0=8.35e-8, # m2/s | |
| E_D=0.06, # eV, |
Formatting
| #### DIFFUSIVE ATOM | ||
| x = F.x | ||
| flux = 1e21 # flux in He m-2 s-1 | ||
| distribution = (x <= 10e-9) * 1e9/16.39 * (7.00876507 + 0.6052078 * x*1e9 - 3.01711048 *(x*1e9)**2 + 1.36595786 * (x*1e9)**3 - 0.295595 * (x*1e9)**4 + 0.03597462 * (x*1e9)**5 - 0.0025142 * (x*1e9)**6 + 0.0000942235 * (x*1e9)**7 - 0.0000014679 * (x*1e9)**8) |
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Can we format this?
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| my_model.exports = F.Exports([derived_quantities] + txt_exports.exports) | ||
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| #### LET'S GO |
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| #### LET'S GO | |
| #### Run the simulation |
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I understand the drop in coverage! Therefore: needs to be replaced by self.heat_of_transport = NoneSimilarily, These lines were not hit by the test suite explaining why coverage decreased. |
Proposed changes
Soret coefficient as a callable. See issue 458.
Types of changes
What types of changes does your code introduce to FESTIM?
Checklist
Further comments
If this is a relatively large or complex change, kick off the discussion by explaining why you chose the solution you did and what alternatives you considered, etc...