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Other useful variables #2740

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merged 15 commits into from
Mar 6, 2023
Merged

Other useful variables #2740

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2897671
add other useful variables
valentinsulzer Feb 28, 2023
0a3a616
Merge branch 'issue-2418-dimensional' into other-useful-variables
valentinsulzer Mar 1, 2023
847d317
fix voltage component plot
valentinsulzer Mar 1, 2023
5a20808
update CCCV example to be more standard
valentinsulzer Mar 2, 2023
461ccb1
add voltage components example
valentinsulzer Mar 2, 2023
f5490a3
Merge branch 'develop' into other-useful-variables
valentinsulzer Mar 2, 2023
314810a
changelog
valentinsulzer Mar 2, 2023
ce7d117
fix some tests
valentinsulzer Mar 2, 2023
222808a
fix tests
valentinsulzer Mar 2, 2023
34f7c37
fix output tests
valentinsulzer Mar 2, 2023
ffe3028
coverage
valentinsulzer Mar 2, 2023
c27f8af
docs
valentinsulzer Mar 2, 2023
cc880c7
Update examples/scripts/compare_lithium_ion.py
valentinsulzer Mar 6, 2023
ddfeafd
rename variables
valentinsulzer Mar 6, 2023
6a3c26c
fix examples
valentinsulzer Mar 6, 2023
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13 changes: 13 additions & 0 deletions CHANGELOG.md
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# [Unreleased](https://github.com/pybamm-team/PyBaMM/)

## Features

- Renamed "Terminal voltage [V]" to just "Voltage [V]". "Terminal voltage [V]" can still be used and will return the same value as "Voltage [V]".
- Added "Anode potential [V]", which is the value of the surface potential difference (`phi_s - phi_e`) at the anode/separator interface, commonly controlled in fast-charging algorithms to avoid plating. Also added "Cathode potential [V]", which is the value of the surface potential difference at the cathode/separator interface. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
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Shouldn't it be "Positive electrode" and "Negative electrode" so it is consistent with the other variables?

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The full name for this would be "Negative electrode surface potential difference at the separator interface". But I think in the fast-charging literature it's just called "Anode potential". Which do you think is better here?

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Mmmm good point. The first choice is a bit of a mouthful, but I think we should use it to be consistent (i.e. use positive and negative electrode everywhere, rather than mixing it with anode and cathode). Especially, as just calling it "Anode potential" would be confusing with the existing "Negative electrode potential [V]", right?

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Yes true, I'll change it to the longer one

- Added "Open-circuit voltage [V]", which is the open-circuit voltage as calculated from the bulk particle concentrations. The old variable "Measured open circuit voltage [V]", which referred to the open-circuit potential as calculated from the surface particle concentrations, has been renamed to "Surface open-circuit voltage [V]". ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
- Added an example for `plot_voltage_components`, explaining what the different voltage components are. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))

## Bug fixes

- Fixed `plot_voltage_components` so that the sum of overpotentials is now equal to the voltage ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))

## Breaking changes

- Renamed "Measured open circuit voltage [V]" to "Surface open-circuit voltage [V]". This variable was calculated from surface particle concentrations, and hence "hid" the overpotential from particle gradients. The new variable "Open-circuit voltage [V]" is calculated from bulk particle concentrations instead. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
- Renamed all references to "open circuit" to be "open-circuit" instead. ([#2740](https://github.com/pybamm-team/PyBaMM/pull/2740))
- All PyBaMM models are now dimensional. This has been benchmarked against dimensionless models and found to give around the same solve time. Implementing dimensional models greatly reduces the barrier to entry for adding new models. However, this comes with several breaking changes: (i) the `timescale` and `length_scales` attributes of a model have been removed (they are no longer needed) (ii) several dimensionless variables are no longer defined, but the corresponding dimensional variables can still be accessed by adding the units to the name (iii) some parameters used only for non-dimensionalization, such as "Typical current [A]", have been removed ([#2419](https://github.com/pybamm-team/PyBaMM/pull/2419))

# [v23.2](https://github.com/pybamm-team/PyBaMM/tree/v23.2) - 2023-02-28
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2 changes: 1 addition & 1 deletion docs/source/api/models/submodels/interface/open_circuit_potential.rst
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Open circuit potential models
Open-circuit potential models
=============================

.. autoclass:: pybamm.open_circuit_potential.BaseOpenCircuitPotential
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2 changes: 2 additions & 0 deletions docs/source/api/models/submodels/particle/base_particle.rst
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Expand Up @@ -4,3 +4,5 @@ Particle Base Model
.. autoclass:: pybamm.particle.BaseParticle
:members:

.. autoclass:: pybamm.particle.TotalConcentration
:members:
2 changes: 0 additions & 2 deletions docs/source/api/models/submodels/particle/fickian_diffusion.rst
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Expand Up @@ -3,5 +3,3 @@ Fickian Diffusion

.. autoclass:: pybamm.particle.FickianDiffusion
:members:


1,322 changes: 661 additions & 661 deletions examples/notebooks/Creating Models/5-half-cell-model.ipynb
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1,798 changes: 899 additions & 899 deletions examples/notebooks/Getting Started/Tutorial 3 - Basic plotting.ipynb
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4 changes: 2 additions & 2 deletions examples/notebooks/Getting Started/Tutorial 4 - Setting parameter values.ipynb
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"model = pybamm.lithium_ion.SPMe()\n",
"sim = pybamm.Simulation(model, parameter_values=parameter_values)\n",
"sim.solve()\n",
"sim.plot([\"Current [A]\", \"Terminal voltage [V]\"])"
"sim.plot([\"Current [A]\", \"Voltage [V]\"])"
]
},
{
Expand Down Expand Up @@ -507,7 +507,7 @@
"sim = pybamm.Simulation(model, parameter_values=parameter_values)\n",
"t_eval = np.arange(0, 121, 1)\n",
"sim.solve(t_eval=t_eval)\n",
"sim.plot([\"Current [A]\", \"Terminal voltage [V]\"])"
"sim.plot([\"Current [A]\", \"Voltage [V]\"])"
]
},
{
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10 changes: 5 additions & 5 deletions examples/notebooks/Getting Started/Tutorial 6 - Managing simulation outputs.ipynb
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Expand Up @@ -84,7 +84,7 @@
"outputs": [],
"source": [
"t = solution[\"Time [s]\"]\n",
"V = solution[\"Terminal voltage [V]\"]"
"V = solution[\"Voltage [V]\"]"
]
},
{
Expand Down Expand Up @@ -353,7 +353,7 @@
"metadata": {},
"outputs": [],
"source": [
"sol.save_data(\"sol_data.pkl\", [\"Current [A]\", \"Terminal voltage [V]\"])"
"sol.save_data(\"sol_data.pkl\", [\"Current [A]\", \"Voltage [V]\"])"
]
},
{
Expand All @@ -369,10 +369,10 @@
"metadata": {},
"outputs": [],
"source": [
"sol.save_data(\"sol_data.csv\", [\"Current [A]\", \"Terminal voltage [V]\"], to_format=\"csv\")\n",
"sol.save_data(\"sol_data.csv\", [\"Current [A]\", \"Voltage [V]\"], to_format=\"csv\")\n",
"# matlab needs names without spaces\n",
"sol.save_data(\"sol_data.mat\", [\"Current [A]\", \"Terminal voltage [V]\"], to_format=\"matlab\",\n",
" short_names={\"Current [A]\": \"I\", \"Terminal voltage [V]\": \"V\"})"
"sol.save_data(\"sol_data.mat\", [\"Current [A]\", \"Voltage [V]\"], to_format=\"matlab\",\n",
" short_names={\"Current [A]\": \"I\", \"Voltage [V]\": \"V\"})"
]
},
{
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2 changes: 1 addition & 1 deletion examples/notebooks/Getting Started/Tutorial 7 - Model options.ipynb
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}
],
"source": [
"sim.plot([\"Cell temperature [K]\", \"Total heating [W.m-3]\", \"Current [A]\", \"Terminal voltage [V]\"])"
"sim.plot([\"Cell temperature [K]\", \"Total heating [W.m-3]\", \"Current [A]\", \"Voltage [V]\"])"
]
},
{
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4 changes: 2 additions & 2 deletions examples/notebooks/Getting Started/Tutorial 9 - Changing the mesh.ipynb
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"cell_type": "markdown",
"metadata": {},
"source": [
"We can now pass our list of solutions to the dynamic plot method, allowing use to see the influence of the mesh on the computed terminal voltage. We pass our list of points using the `labels` keyword so that the plots are labeled with the number of points used in the simulation"
"We can now pass our list of solutions to the dynamic plot method, allowing use to see the influence of the mesh on the computed voltage. We pass our list of points using the `labels` keyword so that the plots are labeled with the number of points used in the simulation"
]
},
{
Expand Down Expand Up @@ -269,7 +269,7 @@
}
],
"source": [
"pybamm.dynamic_plot(solutions, [\"Terminal voltage [V]\"], time_unit=\"seconds\", labels=npts) "
"pybamm.dynamic_plot(solutions, [\"Voltage [V]\"], time_unit=\"seconds\", labels=npts) "
]
},
{
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14 changes: 7 additions & 7 deletions examples/notebooks/change-settings.ipynb
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Expand Up @@ -79,7 +79,7 @@
"cell_type": "markdown",
"metadata": {},
"source": [
"To verify the solution, we can look at a plot of the Terminal voltage over time"
"To verify the solution, we can look at a plot of the Voltage over time"
]
},
{
Expand All @@ -100,10 +100,10 @@
],
"source": [
"time = solution[\"Time [h]\"].entries\n",
"voltage = solution[\"Terminal voltage [V]\"].entries\n",
"voltage = solution[\"Voltage [V]\"].entries\n",
"plt.plot(time, voltage, lw=2, label=model.name)\n",
"plt.xlabel(\"Time [h]\", fontsize=15)\n",
"plt.ylabel(\"Terminal voltage [V]\", fontsize=15)\n",
"plt.ylabel(\"Voltage [V]\", fontsize=15)\n",
"plt.show()"
]
},
Expand Down Expand Up @@ -422,7 +422,7 @@
"cell_type": "markdown",
"metadata": {},
"source": [
"In order to compare solutions with different parameter values, parameters must be changed to `InputParameter` objects, whose value can then be specified when solving. For example, we can compare the Terminal voltage calculated using both the old and new current values."
"In order to compare solutions with different parameter values, parameters must be changed to `InputParameter` objects, whose value can then be specified when solving. For example, we can compare the Voltage calculated using both the old and new current values."
]
},
{
Expand Down Expand Up @@ -452,17 +452,17 @@
"# Solution with current = 0.68\n",
"old_solution = solver.solve(model, t_eval, inputs={\"Current function [A]\": 0.68})\n",
"old_time = old_solution[\"Time [h]\"].entries\n",
"old_voltage = old_solution[\"Terminal voltage [V]\"].entries\n",
"old_voltage = old_solution[\"Voltage [V]\"].entries\n",
"\n",
"# Solution with current = 1.4\n",
"new_solution = solver.solve(model, t_eval, inputs={\"Current function [A]\": 1.4})\n",
"new_time = new_solution[\"Time [h]\"].entries\n",
"new_voltage = new_solution[\"Terminal voltage [V]\"].entries\n",
"new_voltage = new_solution[\"Voltage [V]\"].entries\n",
"\n",
"plt.plot(old_time, old_voltage, lw=2, label=\"Current = 0.68\")\n",
"plt.plot(new_time, new_voltage, lw=2, label=\"Current = 1.4\")\n",
"plt.xlabel(\"Time [h]\", fontsize=15)\n",
"plt.ylabel(\"Terminal voltage [V]\", fontsize=15)\n",
"plt.ylabel(\"Voltage [V]\", fontsize=15)\n",
"plt.legend(fontsize=15)\n",
"plt.show()"
]
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8 changes: 4 additions & 4 deletions examples/notebooks/models/DFN-with-particle-size-distributions.ipynb
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Expand Up @@ -171,7 +171,7 @@
" \"X-averaged negative particle surface concentration distribution [mol.m-3]\",\n",
" \"Negative area-weighted particle-size distribution [m-1]\",\n",
" \"Positive area-weighted particle-size distribution [m-1]\",\n",
" \"Terminal voltage [V]\",\n",
" \"Voltage [V]\",\n",
"]\n",
"\n",
"sim.plot(output_variables=output_variables)"
Expand Down Expand Up @@ -340,7 +340,7 @@
"output_variables = [\n",
" \"X-averaged negative area-weighted particle-size distribution [m-1]\",\n",
" \"X-averaged positive area-weighted particle-size distribution [m-1]\",\n",
" \"Terminal voltage [V]\"\n",
" \"Voltage [V]\"\n",
"]\n",
"quickplot = pybamm.QuickPlot(\n",
" [sim, sim_custom], output_variables=output_variables, labels=[\"default lognormals\", \"custom\"]\n",
Expand Down Expand Up @@ -416,8 +416,8 @@
}
],
"source": [
"# plot current, terminal voltage \n",
"qp = pybamm.QuickPlot(sims, output_variables=[\"Current [A]\", \"Terminal voltage [V]\"])\n",
"# plot current, voltage \n",
"qp = pybamm.QuickPlot(sims, output_variables=[\"Current [A]\", \"Voltage [V]\"])\n",
"qp.plot(0)"
]
},
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6 changes: 3 additions & 3 deletions examples/notebooks/models/MPM.ipynb
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Expand Up @@ -74,7 +74,7 @@
"j_\\text{k}=j_{\\text{0,k}} \\sinh\\left[\\frac{F}{2R_g T}(\\Delta \\phi_{\\text{s,k}}-U_{\\text{k}}(c_{\\text{s},\\text{k}}))\\right], \\ \\ j_{\\text{0,k}} = m_{\\text{k}}(c_{\\text{e}}c_{\\text{s,k}})^{1/2}(c_\\text{k,max}-c_{\\text{s,k}})^{1/2}.\n",
"$$\n",
"This gives an integral (or algebraic once discretized) equation for $\\Delta \\phi_{\\text{s,k}}$ which is coupled to the concentration equations above.\n",
"The terminal voltage is then obtained from\n",
"The voltage is then obtained from\n",
"$$\n",
"V = \\Delta \\phi_{\\text{s,p}} - \\Delta \\phi_{\\text{s,n}}\n",
"$$"
Expand Down Expand Up @@ -328,7 +328,7 @@
" \"X-averaged positive electrode interfacial current density distribution [A.m-2]\",\n",
" \"X-averaged negative area-weighted particle-size distribution [m-1]\",\n",
" \"X-averaged positive area-weighted particle-size distribution [m-1]\",\n",
" \"Terminal voltage [V]\",\n",
" \"Voltage [V]\",\n",
"]\n",
"\n",
"sim.plot(output_variables=output_variables)"
Expand Down Expand Up @@ -908,7 +908,7 @@
" \"X-averaged positive electrode interfacial current density distribution [A.m-2]\",\n",
" \"Negative current collector potential [V]\",\n",
" \"Positive current collector potential [V]\",\n",
" \"Terminal voltage [V]\",\n",
" \"Voltage [V]\",\n",
"]\n",
"pybamm.dynamic_plot(sim_cc, output_variables=output_variables)"
]
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6 changes: 3 additions & 3 deletions examples/notebooks/models/SEI-on-cracks.ipynb
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Expand Up @@ -121,12 +121,12 @@
"outputs": [],
"source": [
"t1 = sol1[\"Time [s]\"].entries\n",
"V1 = sol1[\"Terminal voltage [V]\"].entries\n",
"V1 = sol1[\"Voltage [V]\"].entries\n",
"SEI1 = sol1[\"Loss of lithium to SEI [mol]\"].entries\n",
"lithium_neg1 = sol1[\"Total lithium in negative electrode [mol]\"].entries\n",
"lithium_pos1 = sol1[\"Total lithium in positive electrode [mol]\"].entries\n",
"t2 = sol2[\"Time [s]\"].entries\n",
"V2 = sol2[\"Terminal voltage [V]\"].entries\n",
"V2 = sol2[\"Voltage [V]\"].entries\n",
"SEI2 = sol2[\"Loss of lithium to SEI [mol]\"].entries + sol2[\"Loss of lithium to SEI on cracks [mol]\"].entries\n",
"lithium_neg2 = sol2[\"Total lithium in negative electrode [mol]\"].entries\n",
"lithium_pos2 = sol2[\"Total lithium in positive electrode [mol]\"].entries"
Expand Down Expand Up @@ -156,7 +156,7 @@
"ax1.plot(t1,V1,label=\"without cracking\")\n",
"ax1.plot(t2,V2,label=\"with cracking\")\n",
"ax1.set_xlabel(\"Time [s]\")\n",
"ax1.set_ylabel(\"Terminal voltage [V]\")\n",
"ax1.set_ylabel(\"Voltage [V]\")\n",
"ax1.legend()\n",
"ax2.plot(t1,SEI1,label=\"without cracking\")\n",
"ax2.plot(t2,SEI2,label=\"with cracking\")\n",
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