#1100 merge

CHANGELOG.md

@@ -2,6 +2,7 @@
 
 ## Features
 
+-   Added new functionality for `Interpolant` ([#1312](https://github.com/pybamm-team/PyBaMM/pull/1312))
 -   Reformatted the `BasicDFNHalfCell` to be consistent with the other models ([#1282](https://github.com/pybamm-team/PyBaMM/pull/1282))
 -   Added option to make the total interfacial current density a state ([#1280](https://github.com/pybamm-team/PyBaMM/pull/1280))
 -   Added functionality to initialize a model using the solution from another model ([#1278](https://github.com/pybamm-team/PyBaMM/pull/1278))
@@ -18,6 +19,7 @@
 
 ## Breaking changes
 
+-   `Interpolant` now takes `x` and `y` instead of a single `data` entry ([#1312](https://github.com/pybamm-team/PyBaMM/pull/1312))
 -   Boolean model options ('sei porosity change', 'convection') must now be given in string format ('true' or 'false' instead of True or False) ([#1280](https://github.com/pybamm-team/PyBaMM/pull/1280))
 -   Operations such as `1*x` and `0+x` now directly return `x`. This can be bypassed by explicitly creating the binary operators, e.g. `pybamm.Multiplication(1, x)` ([#1252](https://github.com/pybamm-team/PyBaMM/pull/1252))
 

pybamm/__init__.py

@@ -56,6 +56,7 @@ def version(formatted=False):
 
 ABSOLUTE_PATH = root_dir()
 PARAMETER_PATH = [
+    root_dir(),
     os.getcwd(),
     os.path.join(root_dir(), "pybamm", "input", "parameters"),
 ]

pybamm/input/parameters/lithium-ion/anodes/graphite_Ai2020/graphite_entropy_Enertech_Ai2020_function.py

@@ -1,26 +1,25 @@
-def graphite_entropy_Enertech_Ai2020_function(sto, T):
+def graphite_entropy_Enertech_Ai2020_function(sto):
     """
-        Lithium Cobalt Oxide (LiCO2) entropic change in open circuit potential (OCP) at
-        a temperature of 298.15K as a function of the stochiometry. The fit is taken
-        from Ref [1], which is only accurate
-       for 0.43 < sto < 0.9936.
+    Lithium Cobalt Oxide (LiCO2) entropic change in open circuit potential (OCP) at
+    a temperature of 298.15K as a function of the stochiometry. The fit is taken
+    from Ref [1], which is only accurate
+    for 0.43 < sto < 0.9936.
 
-        References
-        ----------
-        .. [1] Ai, W., Kraft, L., Sturm, J., Jossen, A., & Wu, B. (2020).
-        Electrochemical Thermal-Mechanical Modelling of Stress Inhomogeneity in Lithium-Ion Pouch Cells. # noqa
-        Journal of The Electrochemical Society, 167(1), 013512. DOI: 10.1149/2.0122001JES # noqa
+    References
+    ----------
+    .. [1] Ai, W., Kraft, L., Sturm, J., Jossen, A., & Wu, B. (2020).
+    Electrochemical Thermal-Mechanical Modelling of Stress Inhomogeneity in Lithium-Ion Pouch Cells. # noqa
+    Journal of The Electrochemical Society, 167(1), 013512. DOI: 10.1149/2.0122001JES # noqa
 
     Parameters
     ----------
     sto: double
        Stochiometry of material (li-fraction)
-    T : :class:`pybamm.Symbol`
-        Temperature [K]
+
     Returns
     -------
     :class:`pybamm.Symbol`
-        Entropic change [v.K-1]
+        Entropic change [V.K-1]
     """
 
     du_dT = (
@@ -48,5 +47,5 @@ def graphite_entropy_Enertech_Ai2020_function(sto, T):
             + 165705.8597 * sto ** 8
         )
     )
-    # show no temperature dependence
+
     return du_dT

pybamm/input/parameters/lithium-ion/anodes/graphite_Ramadass2004/graphite_entropic_change_Moura2016.py

@@ -1,7 +1,7 @@
-from pybamm import exp, cosh
+from pybamm import exp, cosh, Parameter
 
 
-def graphite_entropic_change_Moura2016(sto, c_n_max):
+def graphite_entropic_change_Moura2016(sto):
     """
     Graphite entropic change in open circuit potential (OCP) at a temperature of
     298.15K as a function of the stochiometry taken from Scott Moura's FastDFN code
@@ -11,12 +11,13 @@ def graphite_entropic_change_Moura2016(sto, c_n_max):
     ----------
     .. [1] https://github.com/scott-moura/fastDFN
 
-      Parameters
-      ----------
-      sto : :class:`pybamm.Symbol`
-           Stochiometry of material (li-fraction)
+    Parameters
+    ----------
+    sto : :class:`pybamm.Symbol`
+        Stochiometry of material (li-fraction)
 
     """
+    c_n_max = Parameter("Maximum concentration in negative electrode [mol.m-3]")
 
     du_dT = (
         -1.5 * (120.0 / c_n_max) * exp(-120 * sto)

pybamm/input/parameters/lithium-ion/anodes/graphite_UMBL_Mohtat2020/graphite_entropic_change_PeymanMPM.py

@@ -1,4 +1,4 @@
-def graphite_entropic_change_PeymanMPM(sto, c_n_max):
+def graphite_entropic_change_PeymanMPM(sto):
     """
     Graphite entropic change in open circuit potential (OCP) at a temperature of
     298.15K as a function of the stochiometry taken from [1]
@@ -8,10 +8,10 @@ def graphite_entropic_change_PeymanMPM(sto, c_n_max):
     .. [1] K.E. Thomas, J. Newman, "Heats of mixing and entropy in porous insertion
            electrode", J. of Power Sources 119 (2003) 844-849
 
-      Parameters
-      ----------
-      sto : :class:`pybamm.Symbol`
-           Stochiometry of material (li-fraction)
+    Parameters
+    ----------
+    sto : :class:`pybamm.Symbol`
+        Stochiometry of material (li-fraction)
 
     """
 

pybamm/input/parameters/lithium-ion/anodes/graphite_mcmb2528_Marquis2019/graphite_entropic_change_Moura2016.py

@@ -1,7 +1,7 @@
-from pybamm import exp, cosh
+from pybamm import exp, cosh, Parameter
 
 
-def graphite_entropic_change_Moura2016(sto, c_n_max):
+def graphite_entropic_change_Moura2016(sto):
     """
     Graphite entropic change in open circuit potential (OCP) at a temperature of
     298.15K as a function of the stochiometry taken from Scott Moura's FastDFN code
@@ -11,12 +11,13 @@ def graphite_entropic_change_Moura2016(sto, c_n_max):
     ----------
     .. [1] https://github.com/scott-moura/fastDFN
 
-      Parameters
-      ----------
-      sto : :class:`pybamm.Symbol`
-           Stochiometry of material (li-fraction)
+    Parameters
+    ----------
+    sto : :class:`pybamm.Symbol`
+        Stochiometry of material (li-fraction)
 
     """
+    c_n_max = Parameter("Maximum concentration in negative electrode [mol.m-3]")
 
     du_dT = (
         -1.5 * (120.0 / c_n_max) * exp(-120 * sto)

pybamm/input/parameters/lithium-ion/cathodes/NMC_UMBL_Mohtat2020/NMC_entropic_change_PeymanMPM.py

@@ -1,7 +1,7 @@
 import pybamm
 
 
-def NMC_entropic_change_PeymanMPM(sto, c_p_max):
+def NMC_entropic_change_PeymanMPM(sto):
     """
     Nickel Manganese Cobalt (NMC) entropic change in open circuit potential (OCP) at
     a temperature of 298.15K as a function of the OCP. The fit is taken from [1].
@@ -13,10 +13,10 @@ def NMC_entropic_change_PeymanMPM(sto, c_p_max):
     techniques",
     J. of the Electrochemical Society 153 (11) (2006) A2147–A2151.
 
-      Parameters
-      ----------
-      sto : :class:`pybamm.Symbol`
-           Stochiometry of material (li-fraction)
+    Parameters
+    ----------
+    sto : :class:`pybamm.Symbol`
+        Stochiometry of material (li-fraction)
 
     """
 

pybamm/input/parameters/lithium-ion/cathodes/lico2_Ai2020/lico2_entropic_change_Ai2020_function.py

@@ -1,23 +1,22 @@
-def lico2_entropic_change_Ai2020_function(sto, T):
+def lico2_entropic_change_Ai2020_function(sto):
     """
-        Lithium Cobalt Oxide (LiCO2) entropic change in open circuit potential (OCP) at
-        a temperature of 298.15K as a function of the stochiometry. The fit is taken
-        from Ref [1], which is only accurate
-       for 0.43 < sto < 0.9936.
+    Lithium Cobalt Oxide (LiCO2) entropic change in open circuit potential (OCP) at
+    a temperature of 298.15K as a function of the stochiometry. The fit is taken
+    from Ref [1], which is only accurate
+    for 0.43 < sto < 0.9936.
 
-        References
-        ----------
-        .. [1] Ai, W., Kraft, L., Sturm, J., Jossen, A., & Wu, B. (2020).
-        Electrochemical Thermal-Mechanical Modelling of Stress Inhomogeneity
-        in Lithium-Ion Pouch Cells. Journal of The Electrochemical Society,
-         167(1), 013512. DOI: 10.1149/2.0122001JES
+    References
+    ----------
+    .. [1] Ai, W., Kraft, L., Sturm, J., Jossen, A., & Wu, B. (2020).
+    Electrochemical Thermal-Mechanical Modelling of Stress Inhomogeneity
+    in Lithium-Ion Pouch Cells. Journal of The Electrochemical Society,
+        167(1), 013512. DOI: 10.1149/2.0122001JES
 
     Parameters
     ----------
     sto: double
        Stochiometry of material (li-fraction)
-    T : :class:`pybamm.Symbol`
-        Temperature [K]
+
     Returns
     -------
     :class:`pybamm.Symbol`
@@ -45,5 +44,5 @@ def lico2_entropic_change_Ai2020_function(sto, T):
         + p7 * sto
         + p8
     )
-    # show no temperature dependence
+
     return du_dT

pybamm/input/parameters/lithium-ion/cathodes/lico2_Marquis2019/lico2_entropic_change_Moura2016.py

@@ -1,7 +1,7 @@
-from pybamm import cosh
+from pybamm import cosh, Parameter
 
 
-def lico2_entropic_change_Moura2016(sto, c_p_max):
+def lico2_entropic_change_Moura2016(sto):
     """
     Lithium Cobalt Oxide (LiCO2) entropic change in open circuit potential (OCP) at
     a temperature of 298.15K as a function of the stochiometry. The fit is taken
@@ -11,12 +11,13 @@ def lico2_entropic_change_Moura2016(sto, c_p_max):
     ----------
     .. [1] https://github.com/scott-moura/fastDFN
 
-      Parameters
-      ----------
-      sto : :class:`pybamm.Symbol`
-           Stochiometry of material (li-fraction)
+    Parameters
+    ----------
+    sto : :class:`pybamm.Symbol`
+        Stochiometry of material (li-fraction)
 
     """
+    c_p_max = Parameter("Maximum concentration in positive electrode [mol.m-3]")
 
     # Since the equation for LiCo2 from this ref. has the stretch factor,
     # should this too? If not, the "bumps" in the OCV don't line up.

pybamm/input/parameters/lithium-ion/cathodes/lico2_Ramadass2004/lico2_entropic_change_Moura2016.py

@@ -1,7 +1,7 @@
-from pybamm import cosh
+from pybamm import cosh, Parameter
 
 
-def lico2_entropic_change_Moura2016(sto, c_p_max):
+def lico2_entropic_change_Moura2016(sto):
     """
     Lithium Cobalt Oxide (LiCO2) entropic change in open circuit potential (OCP) at
     a temperature of 298.15K as a function of the stochiometry. The fit is taken
@@ -17,6 +17,7 @@ def lico2_entropic_change_Moura2016(sto, c_p_max):
            Stochiometry of material (li-fraction)
 
     """
+    c_p_max = Parameter("Maximum concentration in positive electrode [mol.m-3]")
 
     # Since the equation for LiCo2 from this ref. has the stretch factor,
     # should this too? If not, the "bumps" in the OCV don't line up.

pybamm/models/submodels/current_collector/effective_resistance_current_collector.py

@@ -347,10 +347,10 @@ def __init__(self):
 
         self.algebraic = {
             f_n: pybamm.laplacian(f_n) + pybamm.source(1, f_n),
-            c: pybamm.laplacian(f_p)
+            f_p: pybamm.laplacian(f_p)
             - pybamm.source(1, f_p)
             + c * pybamm.DefiniteIntegralVector(f_p, vector_type="column"),
-            f_p: pybamm.yz_average(f_p) + 0 * c,
+            c: pybamm.yz_average(f_p) + pybamm.Multiplication(0, c),
         }
 
         # Boundary conditons

pybamm/parameters/lithium_ion_parameters.py

@@ -345,10 +345,7 @@ def dUdT_n_dimensional(self, sto):
         Dimensional entropic change of the negative electrode open-circuit
         potential [V.K-1]
         """
-        inputs = {
-            "Negative particle stoichiometry": sto,
-            "Max negative particle concentration [mol.m-3]": self.c_n_max,
-        }
+        inputs = {"Negative particle stoichiometry": sto}
         return pybamm.FunctionParameter(
             "Negative electrode OCP entropic change [V.K-1]", inputs
         )
@@ -358,10 +355,7 @@ def dUdT_p_dimensional(self, sto):
         Dimensional entropic change of the positive electrode open-circuit
         potential [V.K-1]
         """
-        inputs = {
-            "Positive particle stoichiometry": sto,
-            "Max positive particle concentration [mol.m-3]": self.c_p_max,
-        }
+        inputs = {"Positive particle stoichiometry": sto}
         return pybamm.FunctionParameter(
             "Positive electrode OCP entropic change [V.K-1]", inputs
         )