#1429 merge develop

.all-contributorsrc

@@ -345,6 +345,16 @@
       "contributions": [
         "code"
       ]
+    },
+    {
+      "login": "KennethNwanoro",
+      "name": "KennethNwanoro",
+      "avatar_url": "https://avatars.githubusercontent.com/u/78538806?v=4",
+      "profile": "https://github.com/KennethNwanoro",
+      "contributions": [
+        "code",
+        "test"
+      ]
     }
   ],
   "contributorsPerLine": 7,

.github/workflows/build_wheels.yml

@@ -15,7 +15,7 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [macOS-10.15, ubuntu-20.04]
+        os: [macOS-10.15, ubuntu-20.04, windows-2019]
 
     steps:
       - uses: actions/checkout@v2
@@ -35,12 +35,19 @@ jobs:
       - name: Clone pybind11 repo
         run: git clone https://github.com/pybind/pybind11.git
 
-      - name: Build wheels
+      - name: Build wheels on manylinux and macos
+        if: matrix.os != 'windows-2019'
         run: python -m cibuildwheel --output-dir wheelhouse
         env:
           CIBW_BEFORE_ALL_LINUX: "bash build_manylinux_wheels/install_sundials.sh 5.8.1 5.7.0"
           CIBW_BEFORE_BUILD_LINUX: "python -m pip install cmake"
 
+      - name: Build wheels on windows
+        if: matrix.os == 'windows-2019'
+        run: |
+          python -m pip install wheel
+          python -m pip wheel --no-deps --wheel-dir wheelhouse .
+
       - uses: actions/upload-artifact@v2
         with:
           name: wheels
@@ -58,15 +65,15 @@ jobs:
           name: wheels
 
       - name: Publish wheels on PyPI
-        if: ${{ github.events.inputs.target }} == 'pypi'
+        if: github.events.inputs.target == 'pypi'
         uses: pypa/gh-action-pypi-publish@master
         with:
           user: __token__
           password: ${{ secrets.PYPI_TOKEN }}
           packages_dir: wheels/
 
       - name: Publish wheels on TestPyPI
-        if: ${{ github.events.inputs.target }} == 'testpypi'
+        if: github.events.inputs.target == 'testpypi'
         uses: pypa/gh-action-pypi-publish@master
         with:
           user: __token__

CHANGELOG.md

@@ -1,11 +1,11 @@
 # [Unreleased](https://github.com/pybamm-team/PyBaMM)
 
 ## Features
-
 -   Added `NewmanTobias` li-ion battery model ([#1423](https://github.com/pybamm-team/PyBaMM/pull/1423))
 -   Added `plot_voltage_components` to easily plot the component overpotentials that make up the voltage ([#1419](https://github.com/pybamm-team/PyBaMM/pull/1419))
 -   Made `QuickPlot` more customizable and added an example ([#1419](https://github.com/pybamm-team/PyBaMM/pull/1419))
 -   `Solution` objects can now be created by stepping *different* models ([#1408](https://github.com/pybamm-team/PyBaMM/pull/1408))
+-   Added Yang et al 2017 model that couples irreversible lithium plating, SEI growth and change in porosity which produces a transition from linear to nonlinear degradation pattern of lithium-ion battery over extended cycles([#1398](https://github.com/pybamm-team/PyBaMM/pull/1398))
 -   Added support for Python 3.9 and dropped support for Python 3.6. Python 3.6 may still work but is now untested ([#1370](https://github.com/pybamm-team/PyBaMM/pull/1370))
 -   Added the electrolyte overpotential and Ohmic losses for full conductivity, including surface form ([#1350](https://github.com/pybamm-team/PyBaMM/pull/1350))
 -   Added functionality to `Citations` to print formatted citations ([#1340](https://github.com/pybamm-team/PyBaMM/pull/1340))

README.md

@@ -8,7 +8,7 @@
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/pybamm-team/PyBaMM/blob/develop/)
 [![black_code_style](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/ambv/black)
 <!-- ALL-CONTRIBUTORS-BADGE:START - Do not remove or modify this section -->
-[![All Contributors](https://img.shields.io/badge/all_contributors-29-orange.svg?style=flat-square)](#contributors-)
+[![All Contributors](https://img.shields.io/badge/all_contributors-30-orange.svg?style=flat-square)](#contributors-)
 <!-- ALL-CONTRIBUTORS-BADGE:END -->
 
 PyBaMM (Python Battery Mathematical Modelling) solves physics-based electrochemical DAE models by using state-of-the-art automatic differentiation and numerical solvers. The Doyle-Fuller-Newman model can be solved in under 0.1 seconds, while the reduced-order Single Particle Model and Single Particle Model with electrolyte can be solved in just a few milliseconds. Additional physics can easily be included such as thermal effects, fast particle diffusion, 3D effects, and more. All models are implemented in a flexible manner, and a wide range of models and parameter sets (NCA, NMC, LiCoO2, ...) are available. There is also functionality to simulate any set of experimental instructions, such as CCCV or GITT, or specify drive cycles.
@@ -153,6 +153,7 @@ Thanks goes to these wonderful people ([emoji key](https://allcontributors.org/d
   </tr>
   <tr>
     <td align="center"><a href="https://github.com/asinghgaba"><img src="https://avatars.githubusercontent.com/u/77078706?v=4?s=100" width="100px;" alt=""/><br /><sub><b>Amarjit Singh Gaba</b></sub></a><br /><a href="https://github.com/pybamm-team/PyBaMM/commits?author=asinghgaba" title="Code">💻</a></td>
+    <td align="center"><a href="https://github.com/KennethNwanoro"><img src="https://avatars.githubusercontent.com/u/78538806?v=4?s=100" width="100px;" alt=""/><br /><sub><b>KennethNwanoro</b></sub></a><br /><a href="https://github.com/pybamm-team/PyBaMM/commits?author=KennethNwanoro" title="Code">💻</a> <a href="https://github.com/pybamm-team/PyBaMM/commits?author=KennethNwanoro" title="Tests">⚠️</a></td>
   </tr>
 </table>
 

build_manylinux_wheels/install_sundials.sh

@@ -30,8 +30,8 @@ function extract {
 SUITESPARSE_VERSION=$1
 SUNDIALS_VERSION=$2
 
-SUITESPARSE_ROOT_ADDR=https://github.com/LLNL/sundials/releases/download/v$SUNDIALS_VERSION
-SUNDIALS_ROOT_ADDR=https://computing.llnl.gov/projects/sundials/download
+SUITESPARSE_ROOT_ADDR=https://github.com/DrTimothyAldenDavis/SuiteSparse/archive
+SUNDIALS_ROOT_ADDR=https://github.com/LLNL/sundials/releases/download/v$SUNDIALS_VERSION
 
 SUITESPARSE_ARCHIVE_NAME=v$SUITESPARSE_VERSION.tar.gz
 SUNDIALS_ARCHIVE_NAME=sundials-$SUNDIALS_VERSION.tar.gz

docs/source/models/lithium_ion/index.rst

@@ -8,3 +8,4 @@ Lithium-ion Models
   spme
   dfn
   newman_tobias
+  yang2017

docs/source/models/lithium_ion/yang2017.rst

@@ -0,0 +1,6 @@
+Yang et al 2017
+===============
+
+.. autoclass:: pybamm.lithium_ion.Yang2017
+    :members:
+

examples/notebooks/using-submodels.ipynb

@@ -348,7 +348,7 @@
    "source": [
     "model.submodels[\"current collector\"] = pybamm.current_collector.Uniform(model.param)\n",
     "model.submodels[\"thermal\"] = pybamm.thermal.isothermal.Isothermal(model.param)\n",
-    "model.submodels[\"porosity\"] = pybamm.porosity.Constant(model.param)\n",
+    "model.submodels[\"porosity\"] = pybamm.porosity.Constant(model.param, model.options)\n",
     "model.submodels[\"negative active material\"] = pybamm.active_material.Constant(\n",
     "    model.param, \"Negative\", model.options\n",
     ")\n",

examples/scripts/custom_model.py

@@ -16,7 +16,7 @@
 )
 model.submodels["current collector"] = pybamm.current_collector.Uniform(model.param)
 model.submodels["thermal"] = pybamm.thermal.isothermal.Isothermal(model.param)
-model.submodels["porosity"] = pybamm.porosity.Constant(model.param)
+model.submodels["porosity"] = pybamm.porosity.Constant(model.param, model.options)
 model.submodels["negative active material"] = pybamm.active_material.Constant(
     model.param, "Negative", model.options
 )

examples/scripts/cycling_ageing_yang.py

@@ -1,16 +1,15 @@
 import pybamm as pb
 
-pb.set_logging_level("INFO")
-options = {"SEI": "ec reaction limited", "SEI porosity change": "true"}
-param = pb.ParameterValues(chemistry=pb.parameter_sets.Ramadass2004)
-model = pb.lithium_ion.DFN(options)
+pb.set_logging_level("NOTICE")
+model = pb.lithium_ion.Yang2017()
+
 experiment = pb.Experiment(
     [
         (
             "Charge at 1 C until 4.2 V",
             "Hold at 4.2 V until C/10",
             "Rest for 5 minutes",
-            "Discharge at 2 C until 2.8 V",
+            "Discharge at 1 C until 2.8 V",
             "Rest for 5 minutes",
         )
     ]
@@ -28,22 +27,22 @@
             "Rest for 30 minutes",
             "Discharge at 1 C until 2.8 V",
         ),
-        (
-            "Charge at 1 C until 4.2 V",
-            "Hold at 4.2 V until C/20",
-            "Rest for 30 minutes",
-            "Discharge at 2 C until 2.8 V",
-        ),
-        (
-            "Charge at 1 C until 4.2 V",
-            "Hold at 4.2 V until C/20",
-            "Rest for 30 minutes",
-            "Discharge at 3 C until 2.8 V",
-        ),
+        # (
+        #     "Charge at 1 C until 4.2 V",
+        #     "Hold at 4.2 V until C/20",
+        #     "Rest for 30 minutes",
+        #     "Discharge at 2 C until 2.8 V",
+        # ),
+        # (
+        #     "Charge at 1 C until 4.2 V",
+        #     "Hold at 4.2 V until C/20",
+        #     "Rest for 30 minutes",
+        #     "Discharge at 3 C until 2.8 V",
+        # ),
     ]
 )
-sim = pb.Simulation(model, experiment=experiment, parameter_values=param)
-sim.solve(solver=pb.CasadiSolver(mode="safe", dt_max=120))
+sim = pb.Simulation(model, experiment=experiment)
+sim.solve(solver=pb.CasadiSolver(mode="safe"))
 sim.plot(
     [
         "Current [A]",

examples/scripts/print_parameters.py

@@ -0,0 +1,9 @@
+#
+# Example for printing the (dimensional and dimensionless) parameters of a parameter set
+#
+import pybamm
+
+parameters = pybamm.LithiumIonParameters()
+parameter_values = pybamm.ParameterValues(chemistry=pybamm.parameter_sets.Yang2017)
+output_file = "lithium_ion_parameters.txt"
+parameter_values.print_parameters(parameters, output_file)

pybamm/CITATIONS.txt

@@ -348,6 +348,19 @@ doi={10.1149/2.0661810jes}
   doi = {10.1006/jcph.2002.7041},
 }
 
+
+@article{Yang2017,
+  author = {Yang, Xiao Guang and Leng, Yongjun and Zhang, Guangsheng and Ge, Shanhai and Wang, Chao Yang},
+  title = {Modeling of lithium plating induced aging of lithium-ion batteries: Transition from linear to nonlinear aging},
+  journal = {Journal of Power Sources},
+  volume = {360},
+  pages = {28--40},
+  year = {2017},
+  publisher = {Elsevier},
+  doi = {10.1016/j.jpowsour.2017.05.110},
+}
+
+
 @article{Ramadass2004,
   title={Development of first principles capacity fade model for Li-ion cells},
   author={Ramadass, P and Haran, Bala and Gomadam, Parthasarathy M and White, Ralph and Popov, Branko N},
@@ -360,6 +373,7 @@ doi={10.1149/2.0661810jes}
   doi={10.1149/1.1634273},
 }
 
+
 @article{Newman1962,
   title={Theoretical analysis of current distribution in porous electrodes},
   author={Newman, John S and Tobias, Charles W},

pybamm/input/parameters/lead-acid/separators/agm_Sulzer2019/parameters.csv

@@ -3,7 +3,6 @@ Name [units],Value,Reference,Notes
 ,,,
 Maximum porosity of separator,0.92,,
 Separator Bruggeman coefficient (electrolyte),1.5,,
-Separator Bruggeman coefficient (electrode),1.5,,
 Separator density [kg.m-3],1680, Bulk density from Gigova 2006,
 Separator specific heat capacity [J.kg-1.K-1],700, Electronics Cooling (fiberglass),
 Separator thermal conductivity [W.m-1.K-1],0.04, University Physics Sears et al. 1999 (fiberglass),

pybamm/input/parameters/lithium-ion/cells/Yang2017/parameters.csv

@@ -0,0 +1,34 @@
+Name [units],Value,Reference,Notes,,
+# Empty rows and rows starting with ‘#’ will be ignored,,,,,
+,,,,,
+# Macroscale geometry,,,,,
+Negative current collector thickness [m],2.50E-05,Scott Moura FastDFN,no info from Peyman MPM,,`
+Negative electrode thickness [m],4.87E-05,Yang 2017,,,
+Separator thickness [m],2.50E-05,Yang 2017,,,
+Positive electrode thickness [m],4.75E-05,Yang 2017,,,
+Positive current collector thickness [m],2.50E-05,Scott Moura FastDFN,no info from Peyman MPM,,
+Electrode height [m],1,KOKAM SLPB78205130H,Not needed for 1D,,
+Electrode width [m],0.205,KOKAM SLPB78205130H,Not needed for 1D,,
+Cell cooling surface area [m2],0.41,,pouch,,
+Cell volume [m3],3.92E-05,,pouch,,
+,,,,,
+# Current collector properties ,,,,,
+Negative current collector conductivity [S.m-1],59600000,LIONSIMBA,carbon,,
+Positive current collector conductivity [S.m-1],35500000,LIONSIMBA,aluminium,,
+,,,,,
+# Density,,,,,
+Negative current collector density [kg.m-3],8954,,,,
+Positive current collector density [kg.m-3],2707,,,,
+,,,,,
+# Specific heat capacity,,,,,
+Negative current collector specific heat capacity [J.kg-1.K-1],385,,,,
+Positive current collector specific heat capacity [J.kg-1.K-1],897,,,,
+,,,,,
+# Thermal conductivity,,,,,
+Negative current collector thermal conductivity [W.m-1.K-1],401,,,,
+Positive current collector thermal conductivity [W.m-1.K-1],237,,,,
+,,,,,
+# Electrical,,,,,
+Nominal cell capacity [A.h],2.4,Yang2017,,,
+Typical current [A],2.4,,1C current,,
+Current function [A],2.4,default current function,,,

pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Ecker2015/README.md

@@ -4,7 +4,7 @@ Parameters for a LiPF6 electrolyte, from the papers
 
 > Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery i. determination of parameters." Journal of the Electrochemical Society 162.9 (2015): A1836-A1848.
 
->Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857.
+> Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857.
 
 The fits to data for the electrode and electrolyte properties are those provided
 by Dr. Simon O’Kane in the paper:

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/README.md

@@ -0,0 +1,7 @@
+# Lithium plating parameters
+
+Some example parameters for lithium plating from the paper:
+
+> O’Kane, S. E. J., Campbell, I. D., Marzook, M. W. J., Offer, G. J., & Marinescu, M. (2020) Physical origin of the differential voltage minimum associated with lithium plating in Li-ion batteries. Journal of The Electrochemical Society 167(3), 090540.
+
+Note: this parameter set does not claim to be representative of the true parameter values. Instead these are parameter values that were used to fit plating models to observed experimental data in the referenced papers.

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/parameters.csv

@@ -0,0 +1,8 @@
+Name [units],Value,Reference,Notes
+,,,
+,,,
+# Lithium plating parameters,,,
+Lithium metal partial molar volume [m3.mol-1],1.30E-05,Yang2017,
+Exchange-current density for plating [A.m-2],[function]plating_exchange_current_density_OKane2020,,
+Exchange-current density for stripping [A.m-2],[function]stripping_exchange_current_density_OKane2020,,
+Initial plated lithium concentration [mol.m-3],0.00E+00,,

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/plating_exchange_current_density_OKane2020.py

@@ -0,0 +1,29 @@
+from pybamm import constants
+
+
+def plating_exchange_current_density_OKane2020(c_e, c_Li, T):
+    """
+    Exchange-current density for Li plating reaction [A.m-2].
+    References
+    ----------
+    .. [1] O’Kane, Simon EJ, Ian D. Campbell, Mohamed WJ Marzook, Gregory J. Offer, and
+    Monica Marinescu. "Physical origin of the differential voltage minimum associated
+    with lithium plating in Li-ion batteries." Journal of The Electrochemical Society
+    167, no. 9 (2020): 090540.
+    Parameters
+    ----------
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_Li : :class:`pybamm.Symbol`
+        Plated lithium concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+
+    k_plating = 1e-10
+
+    return constants.F * k_plating * c_e

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/stripping_exchange_current_density_OKane2020.py

@@ -0,0 +1,35 @@
+from pybamm import constants
+
+
+def stripping_exchange_current_density_OKane2020(c_e, c_Li, T):
+    """
+    Exchange-current density for Li stripping reaction [A.m-2].
+
+    References
+    ----------
+
+    .. [1] O’Kane, Simon EJ, Ian D. Campbell, Mohamed WJ Marzook, Gregory J. Offer, and
+    Monica Marinescu. "Physical origin of the differential voltage minimum associated
+    with lithium plating in Li-ion batteries." Journal of The Electrochemical Society
+    167, no. 9 (2020): 090540.
+
+    Parameters
+    ----------
+
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_Li : :class:`pybamm.Symbol`
+        Plated lithium concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+
+    Returns
+    -------
+
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+
+    k_plating = 1e-10
+
+    return constants.F * k_plating * c_Li

pybamm/input/parameters/lithium-ion/lithium_platings/yang2017_Li_plating/README.md

@@ -0,0 +1,11 @@
+# SEI parameters
+
+Some example parameters for SEI growth from the papers:
+
+> Ramadass, P., Haran, B., Gomadam, P. M., White, R., & Popov, B. N. (2004). Development of first principles capacity fade model for Li-ion cells. Journal of the Electrochemical Society, 151(2), A196-A203.
+> Ploehn, H. J., Ramadass, P., & White, R. E. (2004). Solvent diffusion model for aging of lithium-ion battery cells. Journal of The Electrochemical Society, 151(3), A456-A462.
+> Single, F., Latz, A., & Horstmann, B. (2018). Identifying the mechanism of continued growth of the solid–electrolyte interphase. ChemSusChem, 11(12), 1950-1955.
+> Safari, M., Morcrette, M., Teyssot, A., & Delacour, C. (2009). Multimodal Physics-Based Aging Model for Life Prediction of Li-Ion Batteries. Journal of The Electrochemical Society, 156(3), 
+> Yang, X., Leng, Y., Zhang, G., Ge, S., Wang, C. (2017). Modeling of lithium plating induced aging of lithium-ion batteries: Transition from linear to nonlinear aging. Journal of Power Sources, 360, 28-40.
+
+Note: this parameter set does not claim to be representative of the true parameter values. Instead these are parameter values that were used to fit SEI models to observed experimental data in the referenced papers.

pybamm/input/parameters/lithium-ion/lithium_platings/yang2017_Li_plating/parameters.csv

@@ -0,0 +1,7 @@
+Name [units],Value,Reference,Notes
+,,,
+,,,
+# Lithium plating parameters,,,
+Lithium metal partial molar volume [m3.mol-1],1.30E-05,Yang2017,6.94e-3/534
+Exchange-current density for plating [A.m-2],0.001,,
+Initial plated lithium concentration [mol.m-3],0.00E+00,,