def __init__(
self, t, y, t_event=None, y_event=None, termination="final time", copy_this=None
):
self._t = t
if isinstance(y, casadi.DM):
y = y.full()
self._y = y
self._t_event = t_event
self._y_event = y_event
self._termination = termination
if copy_this is None:
# initialize empty inputs and model, to be populated later
self._inputs = pybamm.FuzzyDict()
self.model = pybamm.BaseModel()
self.set_up_time = None
self.solve_time = None
self.integration_time = None
self.has_symbolic_inputs = False
else:
self._inputs = copy.copy(copy_this.inputs)
self.model = copy_this.model
self.set_up_time = copy_this.set_up_time
self.solve_time = copy_this.solve_time
self.integration_time = copy_this.integration_time
self.has_symbolic_inputs = copy_this.has_symbolic_inputs
# initiaize empty variables and data
self._variables = pybamm.FuzzyDict()
self.data = pybamm.FuzzyDict()
# initialize empty known evals
self._known_evals = defaultdict(dict)
for time in t:
self._known_evals[time] = {}
def __init__(
self,
t,
y,
t_event=None,
y_event=None,
termination="final time",
copy_this=None,
):
self._t = t
self._y = y
self._t_event = t_event
self._y_event = y_event
self._termination = termination
if copy_this is None:
# initialize empty inputs and model, to be populated later
self._inputs = pybamm.FuzzyDict()
self._model = None
self.set_up_time = None
self.solve_time = None
else:
self._inputs = copy.copy(copy_this.inputs)
self._model = copy_this.model
self.set_up_time = copy_this.set_up_time
self.solve_time = copy_this.solve_time
# initiaize empty variables and data
self._variables = pybamm.FuzzyDict()
self.data = pybamm.FuzzyDict()
# initialize empty known evals
self._known_evals = defaultdict(dict)
for time in t:
self._known_evals[time] = {}
def __init__(self, values=None, chemistry=None):
self._dict_items = pybamm.FuzzyDict()
# Must provide either values or chemistry, not both (nor neither)
if values is not None and chemistry is not None:
raise ValueError(
"Only one of values and chemistry can be provided. To change parameters"
" slightly from a chemistry, first load parameters with the chemistry"
" (param = pybamm.ParameterValues(chemistry=...)) and then update with"
" param.update({dict of values}).")
if values is None and chemistry is None:
raise ValueError("values and chemistry cannot both be None")
# First load chemistry
if chemistry is not None:
self.update_from_chemistry(chemistry)
# Then update with values dictionary or file
if values is not None:
# If base_parameters is a filename, load from that filename
if isinstance(values, str):
file_path = self.find_parameter(values)
path = os.path.split(file_path)[0]
values = self.read_parameters_csv(file_path)
else:
path = ""
# Don't check parameter already exists when first creating it
self.update(values, check_already_exists=False, path=path)
# Initialise empty _processed_symbols dict (for caching)
self._processed_symbols = {}
self.parameter_events = []
def __init__(self, name="Unnamed model"):
self.name = name
self.options = {}
# Initialise empty model
self._rhs = {}
self._algebraic = {}
self._initial_conditions = {}
self._boundary_conditions = {}
self._variables = pybamm.FuzzyDict()
self._events = []
self._concatenated_rhs = None
self._concatenated_algebraic = None
self._concatenated_initial_conditions = None
self._mass_matrix = None
self._mass_matrix_inv = None
self._jacobian = None
self._jacobian_algebraic = None
self.external_variables = []
# Default behaviour is to use the jacobian and simplify
self.use_jacobian = True
self.use_simplify = True
self.convert_to_format = "casadi"
# Default timescale is 1 second
self.timescale = pybamm.Scalar(1)
def build_coupled_variables(self):
# Note: pybamm will try to get the coupled variables for the submodels in the
# order they are set by the user. If this fails for a particular submodel,
# return to it later and try again. If setting coupled variables fails and
# there are no more submodels to try, raise an error.
submodels = list(self.submodels.keys())
count = 0
# For this part the FuzzyDict of variables is briefly converted back into a
# normal dictionary for speed with KeyErrors
self._variables = dict(self._variables)
while len(submodels) > 0:
count += 1
for submodel_name, submodel in self.submodels.items():
if submodel_name in submodels:
pybamm.logger.debug(
"Getting coupled variables for {} submodel ({})".
format(submodel_name, self.name))
try:
self.variables.update(
submodel.get_coupled_variables(self.variables))
submodels.remove(submodel_name)
except KeyError as key:
if len(submodels) == 1 or count == 100:
# no more submodels to try
raise pybamm.ModelError(
"""Submodel "{}" requires the variable {}, but it cannot be found.
Check the selected submodels provide all of the required
variables.""".format(submodel_name, key))
else:
# try setting coupled variables on next loop through
pybamm.logger.debug(
"Can't find {}, trying other submodels first".
format(key))
# Convert variables back into FuzzyDict
self._variables = pybamm.FuzzyDict(self._variables)
def __init__(self, name="Unnamed model"):
self.name = name
self.options = {}
# Initialise empty model
self._rhs = {}
self._algebraic = {}
self._initial_conditions = {}
self._boundary_conditions = {}
self._variables = pybamm.FuzzyDict({})
self._events = []
self._concatenated_rhs = None
self._concatenated_algebraic = None
self._concatenated_initial_conditions = None
self._mass_matrix = None
self._mass_matrix_inv = None
self._jacobian = None
self._jacobian_algebraic = None
self.external_variables = []
self._parameters = None
self._input_parameters = None
self._variables_casadi = {}
# Default behaviour is to use the jacobian
self.use_jacobian = True
self.convert_to_format = "casadi"
# Model is not initially discretised
self.is_discretised = False
self.y_slices = None
# Default timescale is 1 second
self.timescale = pybamm.Scalar(1)
self.length_scales = {}
def set_summary_variables(self, all_summary_variables):
summary_variables = {var: [] for var in all_summary_variables[0]}
for sum_vars in all_summary_variables:
for name, value in sum_vars.items():
summary_variables[name].append(value)
summary_variables["Cycle number"] = range(1, len(all_summary_variables) + 1)
self.all_summary_variables = all_summary_variables
self._summary_variables = pybamm.FuzzyDict(
{name: np.array(value) for name, value in summary_variables.items()}
)
def options(self, extra_options):
default_options = {"dimensionality": 1}
extra_options = extra_options or {}
options = pybamm.FuzzyDict(default_options)
# any extra options overwrite the default options
for name, opt in extra_options.items():
if name in default_options:
options[name] = opt
else:
raise pybamm.OptionError(
"Option '{}' not recognised. Best matches are {}".format(
name, options.get_best_matches(name)))
if options["dimensionality"] not in [1, 2]:
raise pybamm.OptionError(
"Dimension of current collectors must be 1 or 2, not {}".
format(options["dimensionality"]))
self._options = options
def options(self, extra_options):
default_options = {
"operating mode": "current",
"dimensionality": 0,
"surface form": False,
"convection": False,
"side reactions": [],
"interfacial surface area": "constant",
"current collector": "uniform",
"particle": "Fickian diffusion",
"particle shape": "spherical",
"thermal": "isothermal",
"cell geometry": None,
"external submodels": [],
"sei": None,
"sei porosity change": False,
"working electrode": None,
}
# Change the default for cell geometry based on which thermal option is provided
extra_options = extra_options or {}
thermal_option = extra_options.get(
"thermal", None
) # return None if option not given
if thermal_option is None or thermal_option in ["isothermal", "lumped"]:
default_options["cell geometry"] = "arbitrary"
else:
default_options["cell geometry"] = "pouch"
# The "cell geometry" option will still be overridden by extra_options if
# provided
# Change the default for SEI film resistance based on which sei option is
# provided
# extra_options = extra_options or {}
sei_option = extra_options.get("sei", None) # return None if option not given
if sei_option is None:
default_options["sei film resistance"] = None
else:
default_options["sei film resistance"] = "distributed"
# The "sei film resistance" option will still be overridden by extra_options if
# provided
options = pybamm.FuzzyDict(default_options)
# any extra options overwrite the default options
for name, opt in extra_options.items():
if name in default_options:
options[name] = opt
else:
raise pybamm.OptionError(
"Option '{}' not recognised. Best matches are {}".format(
name, options.get_best_matches(name)
)
)
# Options that are incompatible with models
if isinstance(self, pybamm.lithium_ion.BaseModel):
if options["convection"] is not False:
raise pybamm.OptionError(
"convection not implemented for lithium-ion models"
)
if (
options["thermal"] in ["x-lumped", "x-full"]
and options["cell geometry"] != "pouch"
):
raise pybamm.OptionError(
options["thermal"] + " model must have pouch geometry."
)
if isinstance(self, pybamm.lead_acid.BaseModel):
if options["thermal"] != "isothermal" and options["dimensionality"] != 0:
raise pybamm.OptionError(
"Lead-acid models can only have thermal "
"effects if dimensionality is 0."
)
if options["sei"] is not None or options["sei film resistance"] is not None:
raise pybamm.OptionError("Lead-acid models cannot have SEI formation")
# Some standard checks to make sure options are compatible
if not (
options["operating mode"] in ["current", "voltage", "power"]
or callable(options["operating mode"])
):
raise pybamm.OptionError(
"operating mode '{}' not recognised".format(options["operating mode"])
)
if (
isinstance(self, (pybamm.lead_acid.LOQS, pybamm.lead_acid.Composite))
and options["surface form"] is False
):
if len(options["side reactions"]) > 0:
raise pybamm.OptionError(
"""must use surface formulation to solve {!s} with side reactions
""".format(
self
)
)
if options["surface form"] not in [False, "differential", "algebraic"]:
raise pybamm.OptionError(
"surface form '{}' not recognised".format(options["surface form"])
)
if options["convection"] not in [
False,
"uniform transverse",
"full transverse",
]:
raise pybamm.OptionError(
"convection option '{}' not recognised".format(options["convection"])
)
if options["current collector"] not in [
"uniform",
"potential pair",
"potential pair quite conductive",
]:
raise pybamm.OptionError(
"current collector model '{}' not recognised".format(
options["current collector"]
)
)
if options["dimensionality"] not in [0, 1, 2]:
raise pybamm.OptionError(
"Dimension of current collectors must be 0, 1, or 2, not {}".format(
options["dimensionality"]
)
)
if options["thermal"] not in ["isothermal", "lumped", "x-lumped", "x-full"]:
raise pybamm.OptionError(
"Unknown thermal model '{}'".format(options["thermal"])
)
if options["cell geometry"] not in ["arbitrary", "pouch"]:
raise pybamm.OptionError(
"Unknown geometry '{}'".format(options["cell geometry"])
)
if options["sei"] not in [
None,
"constant",
"reaction limited",
"solvent-diffusion limited",
"electron-migration limited",
"interstitial-diffusion limited",
"ec reaction limited",
]:
raise pybamm.OptionError("Unknown sei model '{}'".format(options["sei"]))
if options["sei film resistance"] not in [None, "distributed", "average"]:
raise pybamm.OptionError(
"Unknown sei film resistance model '{}'".format(
options["sei film resistance"]
)
)
if options["sei porosity change"] not in [True, False]:
raise pybamm.OptionError(
"Unknown sei porosity change '{}'".format(
options["sei porosity change"]
)
)
if options["dimensionality"] == 0:
if options["current collector"] not in ["uniform"]:
raise pybamm.OptionError(
"current collector model must be uniform in 0D model"
)
if options["convection"] == "full transverse":
raise pybamm.OptionError(
"cannot have transverse convection in 0D model"
)
if options["particle"] not in [
"Fickian diffusion",
"fast diffusion",
"uniform profile",
"quadratic profile",
"quartic profile",
]:
raise pybamm.OptionError(
"particle model '{}' not recognised".format(options["particle"])
)
if options["particle"] == "fast diffusion":
raise NotImplementedError(
"The 'fast diffusion' option has been renamed. "
"Use 'uniform profile' instead."
)
if options["particle shape"] not in ["spherical", "user"]:
raise pybamm.OptionError(
"particle shape '{}' not recognised".format(options["particle shape"])
)
if options["thermal"] == "x-lumped" and options["dimensionality"] == 1:
warnings.warn(
"1+1D Thermal models are only valid if both tabs are "
"placed at the top of the cell."
)
self._options = options
def print_parameters(self, parameters, output_file=None):
"""
Return dictionary of evaluated parameters, and optionally print these evaluated
parameters to an output file.
For dimensionless parameters that depend on the C-rate, the value is given as a
function of the C-rate (either x * Crate or x / Crate depending on the
dependence)
Parameters
----------
parameters : class or dict containing :class:`pybamm.Parameter` objects
Class or dictionary containing all the parameters to be evaluated
output_file : string, optional
The file to print parameters to. If None, the parameters are not printed,
and this function simply acts as a test that all the parameters can be
evaluated, and returns the dictionary of evaluated parameters.
Returns
-------
evaluated_parameters : defaultdict
The evaluated parameters, for further processing if needed
Notes
-----
A C-rate of 1 C is the current required to fully discharge the battery in 1
hour, 2 C is current to discharge the battery in 0.5 hours, etc
"""
# Set list of attributes to ignore, for when we are evaluating parameters from
# a class of parameters
ignore = [
"__name__",
"__doc__",
"__package__",
"__loader__",
"__spec__",
"__file__",
"__cached__",
"__builtins__",
"absolute_import",
"division",
"print_function",
"unicode_literals",
"pybamm",
"_options",
"constants",
"np",
"geo",
"elec",
"therm",
]
# If 'parameters' is a class, extract the dict
if not isinstance(parameters, dict):
parameters = {
k: v
for k, v in parameters.__dict__.items() if k not in ignore
}
evaluated_parameters = defaultdict(list)
# Calculate parameters for each C-rate
for Crate in [1, 10]:
# Update Crate
capacity = self.get("Nominal cell capacity [A.h]")
if capacity is not None:
self.update(
{"Current function [A]": Crate * capacity},
check_already_exists=False,
)
# Turn to regular dictionary for faster KeyErrors
self._dict_items = dict(self._dict_items)
for name, symbol in parameters.items():
if not callable(symbol):
try:
proc_symbol = self.process_symbol(symbol)
except KeyError:
# skip parameters that don't have a value in that parameter set
proc_symbol = None
if not (callable(proc_symbol) or proc_symbol is None
or proc_symbol.has_symbol_of_classes(
(pybamm.Concatenation, pybamm.Broadcast))):
evaluated_parameters[name].append(
proc_symbol.evaluate(t=0))
# Turn back to FuzzyDict
self._dict_items = pybamm.FuzzyDict(self._dict_items)
# Calculate C-dependence of the parameters based on the difference between the
# value at 1C and the value at C / 10
for name, values in evaluated_parameters.items():
if values[1] == 0 or abs(values[0] / values[1] - 1) < 1e-10:
C_dependence = ""
elif abs(values[0] / values[1] - 10) < 1e-10:
C_dependence = " * Crate"
elif abs(values[0] / values[1] - 0.1) < 1e-10:
C_dependence = " / Crate"
evaluated_parameters[name] = (values[0], C_dependence)
# Print the evaluated_parameters dict to output_file
if output_file:
self.print_evaluated_parameters(evaluated_parameters, output_file)
return evaluated_parameters
def variables(self, variables):
self._variables = pybamm.FuzzyDict(variables)
def test_fuzzy_dict(self):
d = pybamm.FuzzyDict({"test": 1, "test2": 2})
self.assertEqual(d["test"], 1)
with self.assertRaisesRegex(KeyError,
"'test3' not found. Best matches are "):
d["test3"]
def __init__(self, extra_options):
self.possible_options = {
"surface form": ["false", "differential", "algebraic"],
"convection": ["none", "uniform transverse", "full transverse"],
"current collector": [
"uniform",
"potential pair",
"potential pair quite conductive",
],
"dimensionality": [0, 1, 2],
"interfacial surface area": ["constant", "varying"],
"thermal": ["isothermal", "lumped", "x-lumped", "x-full"],
"cell geometry": ["arbitrary", "pouch"],
"SEI": [
"none",
"constant",
"reaction limited",
"solvent-diffusion limited",
"electron-migration limited",
"interstitial-diffusion limited",
"ec reaction limited",
],
"SEI film resistance": ["none", "distributed", "average"],
"SEI porosity change": ["true", "false"],
"lithium plating": ["none", "reversible", "irreversible"],
"loss of active material":
["none", "negative", "positive", "both"],
"operating mode": ["current", "voltage", "power"],
"particle cracking": [
"none",
"no cracking",
"negative",
"positive",
"both",
],
"lithium plating porosity change": ["true", "false"],
"particle": [
"Fickian diffusion",
"fast diffusion",
"uniform profile",
"quadratic profile",
"quartic profile",
],
"particle shape": ["spherical", "user", "no particles"],
"electrolyte conductivity": [
"default",
"full",
"leading order",
"composite",
"integrated",
],
"total interfacial current density as a state": ["true", "false"],
}
default_options = {
"operating mode": "current",
"dimensionality": 0,
"surface form": "false",
"convection": "none",
"side reactions": [],
"interfacial surface area": "constant",
"current collector": "uniform",
"particle": "Fickian diffusion",
"particle shape": "spherical",
"electrolyte conductivity": "default",
"thermal": "isothermal",
"cell geometry": "none",
"external submodels": [],
"SEI": "none",
"lithium plating": "none",
"SEI porosity change": "false",
"lithium plating porosity change": "false",
"loss of active material": "none",
"working electrode": "none",
"particle cracking": "none",
"total interfacial current density as a state": "false",
}
# Change the default for cell geometry based on which thermal option is provided
extra_options = extra_options or {}
thermal_option = extra_options.get("thermal", "none")
# return "none" if option not given
if thermal_option in ["none", "isothermal", "lumped"]:
default_options["cell geometry"] = "arbitrary"
else:
default_options["cell geometry"] = "pouch"
# The "cell geometry" option will still be overridden by extra_options if
# provided
# Change the default for SEI film resistance based on which SEI option is
# provided
# extra_options = extra_options or {}
sei_option = extra_options.get("SEI", "none")
# return "none" if option not given
if sei_option == "none":
default_options["SEI film resistance"] = "none"
else:
default_options["SEI film resistance"] = "distributed"
# The "SEI film resistance" option will still be overridden by extra_options if
# provided
options = pybamm.FuzzyDict(default_options)
# any extra options overwrite the default options
for name, opt in extra_options.items():
if name in default_options:
options[name] = opt
else:
raise pybamm.OptionError(
"Option '{}' not recognised. Best matches are {}".format(
name, options.get_best_matches(name)))
# If "SEI film resistance" is "distributed" then "total interfacial current
# density as a state" must be "true"
if options["SEI film resistance"] == "distributed":
options["total interfacial current density as a state"] = "true"
# Check that extra_options did not try to provide a clashing option
if (extra_options.get(
"total interfacial current density as a state") == "false"
):
raise pybamm.OptionError(
"If 'sei film resistance' is 'distributed' then 'total interfacial "
"current density as a state' must be 'true'")
# Some standard checks to make sure options are compatible
if options["SEI porosity change"] in [True, False]:
raise pybamm.OptionError(
"SEI porosity change must now be given in string format "
"('true' or 'false')")
if options["dimensionality"] == 0:
if options["current collector"] not in ["uniform"]:
raise pybamm.OptionError(
"current collector model must be uniform in 0D model")
if options["convection"] == "full transverse":
raise pybamm.OptionError(
"cannot have transverse convection in 0D model")
if options["particle"] == "fast diffusion":
raise NotImplementedError(
"The 'fast diffusion' option has been renamed. "
"Use 'uniform profile' instead.")
if options["thermal"] == "x-lumped" and options["dimensionality"] == 1:
warnings.warn(
"1+1D Thermal models are only valid if both tabs are "
"placed at the top of the cell.")
for option, value in options.items():
if (option == "side reactions" or option == "external submodels"
or option == "working electrode"):
pass
elif value not in self.possible_options[option]:
if not (option == "operating mode" and callable(value)):
raise pybamm.OptionError(
f"\n'{value}' is not recognized in option '{option}'. "
f"Possible values are {self.possible_options[option]}")
super().__init__(options.items())
def __init__(
self,
all_ts,
all_ys,
all_models,
all_inputs,
t_event=None,
y_event=None,
termination="final time",
):
if not isinstance(all_ts, list):
all_ts = [all_ts]
if not isinstance(all_ys, list):
all_ys = [all_ys]
if not isinstance(all_models, list):
all_models = [all_models]
self._all_ts = all_ts
self._all_ys = all_ys
self._all_models = all_models
self._t_event = t_event
self._y_event = y_event
self._termination = termination
# Set up inputs
if not isinstance(all_inputs, list):
for key, value in all_inputs.items():
if isinstance(value, numbers.Number):
all_inputs[key] = np.array([value])
all_inputs = [all_inputs]
self.all_inputs = all_inputs
self.has_symbolic_inputs = any(
isinstance(v, casadi.MX) for v in all_inputs[0].values())
# Copy the timescale_eval and lengthscale_evals if they exist
if hasattr(all_models[0], "timescale_eval"):
self.timescale_eval = all_models[0].timescale_eval
else:
self.timescale_eval = all_models[0].timescale.evaluate()
if hasattr(all_models[0], "length_scales_eval"):
self.length_scales_eval = all_models[0].length_scales_eval
else:
self.length_scales_eval = {
domain: scale.evaluate()
for domain, scale in all_models[0].length_scales.items()
}
self.set_up_time = None
self.solve_time = None
self.integration_time = None
# initiaize empty variables and data
self._variables = pybamm.FuzzyDict()
self.data = pybamm.FuzzyDict()
# Add self as sub-solution for compatibility with ProcessedVariable
self._sub_solutions = [self]
# Solution now uses CasADi
pybamm.citations.register("Andersson2019")
def options(self, extra_options):
default_options = {
"operating mode": "current",
"dimensionality": 0,
"surface form": False,
"convection": False,
"side reactions": [],
"interfacial surface area": "constant",
"current collector": "uniform",
"particle": "Fickian diffusion",
"thermal": "isothermal",
"thermal current collector": False,
"external submodels": [],
}
options = pybamm.FuzzyDict(default_options)
# any extra options overwrite the default options
if extra_options is not None:
for name, opt in extra_options.items():
if name in default_options:
options[name] = opt
else:
raise pybamm.OptionError(
"Option '{}' not recognised. Best matches are {}".
format(name, options.get_best_matches(name)))
# Some standard checks to make sure options are compatible
if not (options["operating mode"] in ["current", "voltage", "power"]
or callable(options["operating mode"])):
raise pybamm.OptionError(
"operating mode '{}' not recognised".format(
options["operating mode"]))
if (isinstance(self,
(pybamm.lead_acid.LOQS, pybamm.lead_acid.Composite))
and options["surface form"] is False):
if len(options["side reactions"]) > 0:
raise pybamm.OptionError("""
must use surface formulation to solve {!s} with side reactions
""".format(self))
if options["surface form"] not in [False, "differential", "algebraic"]:
raise pybamm.OptionError("surface form '{}' not recognised".format(
options["surface form"]))
if options["current collector"] not in [
"uniform",
"potential pair",
"potential pair quite conductive",
]:
raise pybamm.OptionError(
"current collector model '{}' not recognised".format(
options["current collector"]))
if options["dimensionality"] not in [0, 1, 2]:
raise pybamm.OptionError(
"Dimension of current collectors must be 0, 1, or 2, not {}".
format(options["dimensionality"]))
if options["thermal"] not in [
"isothermal",
"x-full",
"x-lumped",
"xyz-lumped",
"lumped",
]:
raise pybamm.OptionError("Unknown thermal model '{}'".format(
options["thermal"]))
if options["particle"] not in ["Fickian diffusion", "fast diffusion"]:
raise pybamm.OptionError(
"particle model '{}' not recognised".format(
options["particle"]))
# Options that are incompatible with models
if isinstance(self, pybamm.lithium_ion.BaseModel):
if options["convection"] is True:
raise pybamm.OptionError(
"convection not implemented for lithium-ion models")
if isinstance(self, pybamm.lead_acid.BaseModel):
if options["thermal"] != "isothermal" and options[
"dimensionality"] != 0:
raise pybamm.OptionError(
"Lead-acid models can only have thermal "
"effects if dimensionality is 0.")
if options["thermal current collector"] is True:
raise pybamm.OptionError(
"Thermal current collector effects are not implemented "
"for lead-acid models.")
self._options = options
def get_cycle_summary_variables(cycle_solution, esoh_sim):
Q = cycle_solution["Discharge capacity [A.h]"].data
min_Q = np.min(Q)
max_Q = np.max(Q)
cycle_summary_variables = pybamm.FuzzyDict(
{
"Minimum measured discharge capacity [A.h]": min_Q,
"Maximum measured discharge capacity [A.h]": max_Q,
"Measured capacity [A.h]": max_Q - min_Q,
}
)
degradation_variables = [
"Negative electrode capacity [A.h]",
"Positive electrode capacity [A.h]",
# LAM, LLI
"Loss of active material in negative electrode [%]",
"Loss of active material in positive electrode [%]",
"Loss of lithium inventory [%]",
"Loss of lithium inventory, including electrolyte [%]",
# Total lithium
"Total lithium [mol]",
"Total lithium in electrolyte [mol]",
"Total lithium in positive electrode [mol]",
"Total lithium in negative electrode [mol]",
"Total lithium in particles [mol]",
# Lithium lost
"Total lithium lost [mol]",
"Total lithium lost from particles [mol]",
"Total lithium lost from electrolyte [mol]",
"Loss of lithium to negative electrode SEI [mol]",
"Loss of lithium to positive electrode SEI [mol]",
"Loss of lithium to negative electrode lithium plating [mol]",
"Loss of lithium to positive electrode lithium plating [mol]",
"Loss of capacity to negative electrode SEI [A.h]",
"Loss of capacity to positive electrode SEI [A.h]",
"Loss of capacity to negative electrode lithium plating [A.h]",
"Loss of capacity to positive electrode lithium plating [A.h]",
"Total lithium lost to side reactions [mol]",
"Total capacity lost to side reactions [A.h]",
# Resistance
"Local ECM resistance [Ohm]",
]
first_state = cycle_solution.first_state
last_state = cycle_solution.last_state
for var in degradation_variables:
data_first = first_state[var].data
data_last = last_state[var].data
cycle_summary_variables[var] = data_last[0]
var_lowercase = var[0].lower() + var[1:]
cycle_summary_variables["Change in " + var_lowercase] = (
data_last[0] - data_first[0]
)
if esoh_sim is not None:
V_min = esoh_sim.parameter_values["Lower voltage cut-off [V]"]
V_max = esoh_sim.parameter_values["Upper voltage cut-off [V]"]
C_n = last_state["Negative electrode capacity [A.h]"].data[0]
C_p = last_state["Positive electrode capacity [A.h]"].data[0]
n_Li = last_state["Total lithium in particles [mol]"].data[0]
if esoh_sim.solution is not None:
# initialize with previous solution if it is available
esoh_sim.built_model.set_initial_conditions_from(esoh_sim.solution)
solver = None
else:
x_100_init = np.max(cycle_solution["Negative electrode SOC"].data)
# make sure x_0 > 0
C_init = np.minimum(0.95 * (C_n * x_100_init), max_Q - min_Q)
# Solve the esoh model and add outputs to the summary variables
# use CasadiAlgebraicSolver if there are interpolants
if isinstance(
esoh_sim.parameter_values["Negative electrode OCP [V]"], tuple
) or isinstance(
esoh_sim.parameter_values["Positive electrode OCP [V]"], tuple
):
solver = pybamm.CasadiAlgebraicSolver()
# Choose x_100_init so as not to violate the interpolation limits
if isinstance(
esoh_sim.parameter_values["Positive electrode OCP [V]"], tuple
):
y_100_min = np.min(
esoh_sim.parameter_values["Positive electrode OCP [V]"][1][:, 0]
)
x_100_max = (
n_Li * pybamm.constants.F.value / 3600 - y_100_min * C_p
) / C_n
x_100_init = np.minimum(x_100_init, 0.99 * x_100_max)
else:
solver = None
# Update initial conditions using the cycle solution
esoh_sim.build()
esoh_sim.built_model.set_initial_conditions_from(
{"x_100": x_100_init, "C": C_init}
)
esoh_sol = esoh_sim.solve(
[0],
inputs={
"V_min": V_min,
"V_max": V_max,
"C_n": C_n,
"C_p": C_p,
"n_Li": n_Li,
},
solver=solver,
)
for var in esoh_sim.built_model.variables:
cycle_summary_variables[var] = esoh_sol[var].data[0]
cycle_summary_variables["Capacity [A.h]"] = cycle_summary_variables["C"]
return cycle_summary_variables