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Plot voltage components for composite electrodes #4435

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Plot voltage components for composite electrodes #4435

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mleot Sep 12, 2024
e91a27a
temporary changes for visualization
mleot Sep 12, 2024
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style: pre-commit fixes
pre-commit-ci[bot] Sep 12, 2024
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141 changes: 123 additions & 18 deletions docs/source/examples/notebooks/plotting/plot-voltage-components.ipynb
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32 changes: 26 additions & 6 deletions src/pybamm/models/full_battery_models/base_battery_model.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1333,9 +1333,19 @@ def set_voltage_variables(self):
eta_particle_n = self.variables[
f"Negative {phase_n}particle concentration overpotential [V]"
]
eta_particle_p = self.variables[
f"Positive {phase_p}particle concentration overpotential [V]"
]
if self.options.positive["particle phases"] == "2":
eta_particle_p = (
self.variables[
f"Positive {phase_p}particle concentration overpotential [V]"
]
+ self.variables[
"Positive secondary particle concentration overpotential [V]"
]
) / 2
else:
eta_particle_p = self.variables[
f"Positive {phase_p}particle concentration overpotential [V]"
]

ocv_surf = ocp_surf_p_av - ocp_surf_n_av
ocv_bulk = ocp_p_bulk - ocp_n_bulk
Expand All @@ -1351,9 +1361,19 @@ def set_voltage_variables(self):
eta_r_n_av = self.variables[
f"X-averaged negative electrode {phase_n}reaction overpotential [V]"
]
eta_r_p_av = self.variables[
f"X-averaged positive electrode {phase_p}reaction overpotential [V]"
]
if self.options.positive["particle phases"] == "2":
eta_r_p_av = (
self.variables[
f"X-averaged positive electrode {phase_p}reaction overpotential [V]"
]
+ self.variables[
"X-averaged positive electrode secondary reaction overpotential [V]"
]
) / 2
else:
eta_r_p_av = self.variables[
f"X-averaged positive electrode {phase_p}reaction overpotential [V]"
]
eta_r_av = eta_r_p_av - eta_r_n_av

delta_phi_s_n_av = self.variables[
Expand Down
121 changes: 85 additions & 36 deletions src/pybamm/plotting/plot_voltage_components.py
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@
from pybamm.util import import_optional_dependency
from pybamm.simulation import Simulation
from pybamm.solvers.solution import Solution
from pybamm.parameters.base_parameters import NullParameters


def plot_voltage_components(
Expand Down Expand Up @@ -39,8 +40,12 @@ def plot_voltage_components(
# Check if the input is a Simulation and extract Solution
if isinstance(input_data, Simulation):
solution = input_data.solution
working_electrode = input_data.options["working electrode"]
model_param = input_data.model.param
elif isinstance(input_data, Solution):
solution = input_data
working_electrode = input_data.all_models[0].options["working electrode"]
model_param = input_data.all_models[0].param
plt = import_optional_dependency("matplotlib.pyplot")

# Set a default value for alpha, the opacity
Expand All @@ -52,42 +57,82 @@ def plot_voltage_components(
else:
fig, ax = plt.subplots(figsize=(8, 4))

if split_by_electrode is False:
overpotentials = [
"Battery particle concentration overpotential [V]",
"X-averaged battery reaction overpotential [V]",
"X-averaged battery concentration overpotential [V]",
"X-averaged battery electrolyte ohmic losses [V]",
"X-averaged battery solid phase ohmic losses [V]",
]
labels = [
"Particle concentration overpotential",
"Reaction overpotential",
"Electrolyte concentration overpotential",
"Ohmic electrolyte overpotential",
"Ohmic electrode overpotential",
]
else:
overpotentials = [
"Battery negative particle concentration overpotential [V]",
"Battery positive particle concentration overpotential [V]",
"X-averaged battery negative reaction overpotential [V]",
"X-averaged battery positive reaction overpotential [V]",
"X-averaged battery concentration overpotential [V]",
"X-averaged battery electrolyte ohmic losses [V]",
"X-averaged battery negative solid phase ohmic losses [V]",
"X-averaged battery positive solid phase ohmic losses [V]",
]
labels = [
"Negative particle concentration overpotential",
"Positive particle concentration overpotential",
"Negative reaction overpotential",
"Positive reaction overpotential",
"Electrolyte concentration overpotential",
"Ohmic electrolyte overpotential",
"Ohmic negative electrode overpotential",
"Ohmic positive electrode overpotential",
]
if working_electrode == "both":
if split_by_electrode is False:
overpotentials = [
"Battery particle concentration overpotential [V]",
"X-averaged battery reaction overpotential [V]",
"X-averaged battery concentration overpotential [V]",
"X-averaged battery electrolyte ohmic losses [V]",
"X-averaged battery solid phase ohmic losses [V]",
]
labels = [
"Particle concentration overpotential",
"Reaction overpotential",
"Electrolyte concentration overpotential",
"Ohmic electrolyte overpotential",
"Ohmic electrode overpotential",
]
else:
overpotentials = [
"Battery negative particle concentration overpotential [V]",
"Battery positive particle concentration overpotential [V]",
"X-averaged battery negative reaction overpotential [V]",
"X-averaged battery positive reaction overpotential [V]",
"X-averaged battery concentration overpotential [V]",
"X-averaged battery electrolyte ohmic losses [V]",
"X-averaged battery negative solid phase ohmic losses [V]",
"X-averaged battery positive solid phase ohmic losses [V]",
]
labels = [
"Negative particle concentration overpotential",
"Positive particle concentration overpotential",
"Negative reaction overpotential",
"Positive reaction overpotential",
"Electrolyte concentration overpotential",
"Ohmic electrolyte overpotential",
"Ohmic negative electrode overpotential",
"Ohmic positive electrode overpotential",
]
elif working_electrode == "positive":
if isinstance(model_param.p.sec, NullParameters):
overpotentials = [
"Positive particle concentration overpotential [V]",
"X-averaged positive electrode reaction overpotential [V]",
"X-averaged battery concentration overpotential [V]",
"X-averaged battery electrolyte ohmic losses [V]",
"X-averaged battery solid phase ohmic losses [V]",
]
labels = [
"Particle concentration overpotential",
"Reaction overpotential",
"Electrolyte concentration overpotential",
"Ohmic electrolyte overpotential",
"Ohmic electrode overpotential",
]
else:
overpotentials = [
"Positive primary particle concentration overpotential [V]",
"Positive secondary particle concentration overpotential [V]",
"Battery negative particle concentration overpotential [V]",
"X-averaged positive electrode primary reaction overpotential [V]",
"X-averaged positive electrode secondary reaction overpotential [V]",
"X-averaged battery negative reaction overpotential [V]",
"X-averaged battery concentration overpotential [V]",
"X-averaged battery electrolyte ohmic losses [V]",
"X-averaged battery solid phase ohmic losses [V]",
]
labels = [
"Primary particle concentration overpotential",
"Secondary particle concentration overpotential",
"Negative particle concentration overpotential",
"Primary reaction overpotential",
"Secondary reaction overpotential",
"Negative interface overpotential",
"Electrolyte concentration overpotential",
"Ohmic electrolyte overpotential",
"Ohmic electrode overpotential",
]

# Plot
# Initialise
Expand Down Expand Up @@ -128,6 +173,10 @@ def plot_voltage_components(
# negative overpotentials are positive for a discharge and negative for a charge
# so we have to multiply by -1 to show them correctly
sgn = -1 if "negative" in overpotential else 1
sgn = -1 if "Lithium metal" in overpotential else 1
for phase in ["primary", "secondary"]:
for type in ["reaction", "particle concentration"]:
sgn *= 0.5 if f"{phase} {type}" in overpotential else 1
bottom = top + sgn * solution[overpotential].entries
ax.fill_between(time, bottom, top, **kwargs_fill, label=label)
top = bottom
Expand Down