def test_process_beep_cycle_data_for_initial_halfcell_analysis(self):
ia = IntracellAnalysis(
os.path.join(TEST_FILE_DIR,
'cathode_clean_cc_charge_exptl_aligned.csv'),
os.path.join(
TEST_FILE_DIR,
'anode_secondMeasure_clean_cc_charge_exptl_aligned.csv'),
cycle_type='rpt_0.2C',
step_type=0)
real_cell_initial_charge_profile_aligned, real_cell_initial_charge_profile = \
ia.process_beep_cycle_data_for_initial_halfcell_analysis(self.cell_struct, step_type=0)
self.assertAlmostEqual(
real_cell_initial_charge_profile_aligned['Voltage_aligned'].min(),
2.742084, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile_aligned['Voltage_aligned'].max(),
4.196994, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile['Voltage'].min(), 2.703006, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile['Voltage'].max(), 4.196994, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile['charge_capacity'].min(), 0.0, 4)
self.assertAlmostEqual(
real_cell_initial_charge_profile['charge_capacity'].max(),
4.539547, 5)
def test_intracell_halfcell_matching_v2_mock(self):
ia = IntracellAnalysis(self.cathode_file,
self.anode_file,
cycle_type='rpt_0.2C',
step_type=0)
#
real_cell_initial_charge_profile_aligned, real_cell_initial_charge_profile = \
ia.process_beep_cycle_data_for_initial_halfcell_analysis(
self.cell_struct)
test_opt = np.array([0.999459, -4.1740795, 1.0, 0.1, 0.1])
(PE_pristine_matched, NE_pristine_matched, df_real_interped,
emulated_full_cell_interped) = ia.halfcell_initial_matching_v2(
test_opt, real_cell_initial_charge_profile_aligned,
ia.pe_pristine, ia.ne_1_pristine, ia.ne_2_pristine_pos,
ia.ne_2_pristine_neg)
self.assertAlmostEqual(PE_pristine_matched['SOC_aligned'].min(),
-93.08943089430896, 5)
self.assertAlmostEqual(PE_pristine_matched['SOC_aligned'].max(),
110.16260162601628, 5)
self.assertAlmostEqual(PE_pristine_matched['Voltage_aligned'].min(),
2.865916, 5)
self.assertAlmostEqual(PE_pristine_matched['Voltage_aligned'].max(),
4.299219386998656, 5)
def create_features(self):
"""
Args:
processed_cycler_run (beep.structure.ProcessedCyclerRun)
params_dict (dict): dictionary of parameters governing how the ProcessedCyclerRun object
gets featurized. These could be filters for column or row operations
parameters_path (str): Root directory storing project parameter files.
cell_info_path (str): Root directory for cell half cell data
Returns:
(pd.DataFrame) containing the cell material parameters for the first and second diagnotics
as a single row dataframe
"""
ia = IntracellAnalysis(
self.hyperparameters["cathode_file"],
self.hyperparameters["anode_file"],
cycle_type=self.hyperparameters["diagnostic_cycle_type"],
step_type=self.hyperparameters["step_type"]
)
(cell_init_aligned, cell_init_profile, PE_matched, NE_matched) = ia.intracell_wrapper_init(
self.datapath,
)
eol_cycle_index_list = self.datapath.diagnostic_summary[
(self.datapath.diagnostic_summary.cycle_type == ia.cycle_type) &
(self.datapath.diagnostic_summary.discharge_capacity > ia.THRESHOLD)
].cycle_index.to_list()
# # initializations before for loop
dataset_dict_of_cell_degradation_path = dict()
real_cell_dict_of_profiles = dict()
for i, cycle_index in enumerate(eol_cycle_index_list[0:2]):
loss_dict, profiles_dict = ia.intracell_values_wrapper(cycle_index,
self.datapath,
cell_init_aligned,
cell_init_profile,
PE_matched,
NE_matched,
)
dataset_dict_of_cell_degradation_path.update(loss_dict)
real_cell_dict_of_profiles.update(profiles_dict)
degradation_df = pd.DataFrame(dataset_dict_of_cell_degradation_path,
index=['LLI', 'LAM_PE', 'LAM_NE', 'x_NE_2', 'alpha_real', 'alpha_emulated',
'PE_upper_voltage', 'PE_lower_voltage', 'PE_upper_SOC', 'PE_lower_SOC',
'PE_mass', 'NE_upper_voltage', 'NE_lower_voltage', 'NE_upper_SOC',
'NE_lower_SOC', 'NE_mass', 'Li_mass'
]).T
diag_0_names = ["diag_0_" + name for name in degradation_df.columns]
diag_1_names = ["diag_1_" + name for name in degradation_df.columns]
values = {0: degradation_df.iloc[0].tolist() + degradation_df.iloc[1].tolist()}
features_df = pd.DataFrame(values, index=diag_0_names+diag_1_names).T
self.features = features_df
def test_intracell_wrappers(self):
ia = IntracellAnalysis(os.path.join(TEST_FILE_DIR, 'data-share', 'raw',
'cell_info', 'cathode_test.csv'),
os.path.join(TEST_FILE_DIR, 'data-share', 'raw',
'cell_info', 'anode_test.csv'),
cycle_type='rpt_0.2C',
step_type=0)
(cell_init_aligned, cell_init_profile, PE_matched,
NE_matched) = ia.intracell_wrapper_init(self.cell_struct)
eol_cycle_index_list = self.cell_struct.diagnostic_summary[
(self.cell_struct.diagnostic_summary.cycle_type == ia.cycle_type)
& (self.cell_struct.diagnostic_summary.discharge_capacity >
ia.THRESHOLD)].cycle_index.to_list()
# # initializations before for loop
dataset_dict_of_cell_degradation_path = dict()
real_cell_dict_of_profiles = dict()
for i, cycle_index in enumerate(eol_cycle_index_list):
loss_dict, profiles_dict = ia.intracell_values_wrapper(
cycle_index,
self.cell_struct,
cell_init_aligned,
cell_init_profile,
PE_matched,
NE_matched,
)
dataset_dict_of_cell_degradation_path.update(loss_dict)
real_cell_dict_of_profiles.update(profiles_dict)
degradation_df = pd.DataFrame(
dataset_dict_of_cell_degradation_path,
index=[
'LLI', 'LAM_PE', 'LAM_NE', 'x_NE_2', 'alpha_real',
'alpha_emulated', 'PE_upper_voltage', 'PE_lower_voltage',
'PE_upper_SOC', 'PE_lower_SOC', 'PE_mass', 'NE_upper_voltage',
'NE_lower_voltage', 'NE_upper_SOC', 'NE_lower_SOC', 'NE_mass',
'Li_mass'
]).T
print(degradation_df['LLI'])
print(degradation_df['LAM_PE'])
print(degradation_df['Li_mass'])
self.assertAlmostEqual(degradation_df['LLI'].iloc[0], -9.999983, 5)
self.assertAlmostEqual(degradation_df['LLI'].iloc[1], -9.999556, 5)
self.assertAlmostEqual(degradation_df['LAM_PE'].iloc[0], 49.984768, 5)
self.assertAlmostEqual(degradation_df['LAM_PE'].iloc[1], 49.984877, 5)
self.assertAlmostEqual(degradation_df["Li_mass"].iloc[1], 12.312480, 3)
def test_process_beep_cycle_data_for_initial_halfcell_analysis_mock(self):
ia = IntracellAnalysis('cathode_test.csv',
'anode_test.csv',
cycle_type='rpt_0.2C',
step_type=0)
real_cell_initial_charge_profile_aligned, real_cell_initial_charge_profile = \
ia.process_beep_cycle_data_for_initial_halfcell_analysis(self.cell_struct, step_type=0)
self.assertAlmostEqual(
real_cell_initial_charge_profile_aligned['Voltage_aligned'].min(),
2.742084, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile_aligned['Voltage_aligned'].max(),
4.196994, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile['Voltage'].min(), 2.703006, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile['Voltage'].max(), 4.196994, 5)
self.assertAlmostEqual(
real_cell_initial_charge_profile['charge_capacity'].min(), 0.0, 4)
self.assertAlmostEqual(
real_cell_initial_charge_profile['charge_capacity'].max(),
4.539547, 5)
def test_intracell_get_dq_dv_mock(self):
os.environ["BEEP_PROCESSING_DIR"] = TEST_FILE_DIR
ia = IntracellAnalysis('cathode_test.csv',
'anode_test.csv',
cycle_type='rpt_0.2C',
step_type=0)
#
real_cell_initial_charge_profile_aligned, real_cell_initial_charge_profile = \
ia.process_beep_cycle_data_for_initial_halfcell_analysis(self.cell_struct)
test_opt = np.array([0.999459, -4.1740795, 1.0, 0.1, 0.1])
(PE_p_m, NE_p_m, df_real_i,
em_interped) = ia.halfcell_initial_matching_v2(
test_opt, real_cell_initial_charge_profile_aligned,
ia.pe_pristine, ia.ne_1_pristine, ia.ne_2_pristine_pos,
ia.ne_2_pristine_neg)
real_cell_candidate_charge_profile_aligned = ia.process_beep_cycle_data_for_candidate_halfcell_analysis(
self.cell_struct, real_cell_initial_charge_profile_aligned,
real_cell_initial_charge_profile, 3)
self.assertAlmostEqual(
real_cell_candidate_charge_profile_aligned["Voltage_aligned"].min(
), 2.742084, 5)
(PE_out_centered, NE_out_centered, dVdQ_over_SOC_real,
dVdQ_over_SOC_emulated, df_real_interped, emulated_full_cell_interped
) = ia.get_dQdV_over_V_from_degradation_matching(
test_opt, PE_p_m, NE_p_m, ia.ne_2_pristine_pos,
ia.ne_2_pristine_neg, real_cell_candidate_charge_profile_aligned)
print(PE_out_centered)
self.assertAlmostEqual(PE_out_centered["Voltage_aligned"].min(),
2.86591646, 5)
self.assertAlmostEqual(NE_out_centered["Voltage_aligned"].min(),
0.011226739, 5)
self.assertAlmostEqual(dVdQ_over_SOC_real["Voltage_aligned"].mean(),
3.45, 5)
self.assertAlmostEqual(dVdQ_over_SOC_emulated["Voltage_aligned"].min(),
2.7, 5)
self.assertAlmostEqual(dVdQ_over_SOC_emulated["Voltage_aligned"].max(),
4.2, 5)
#
(PE_upper_voltage, PE_lower_voltage, PE_upper_SOC, PE_lower_SOC,
PE_mass, NE_upper_voltage, NE_lower_voltage, NE_upper_SOC,
NE_lower_SOC, NE_mass, SOC_upper, SOC_lower,
Li_mass) = get_halfcell_voltages(PE_out_centered, NE_out_centered)
self.assertAlmostEqual(PE_upper_voltage, 4.28427357, 5)
self.assertAlmostEqual(PE_lower_voltage, 3.56538024, 5)
self.assertAlmostEqual(PE_upper_SOC, 99.0605427, 5)
self.assertAlmostEqual(PE_lower_SOC, 48.851774, 5)
self.assertAlmostEqual(PE_mass, 202.843024, 5)
self.assertAlmostEqual(NE_upper_voltage, 0.0828635, 5)
self.assertAlmostEqual(NE_lower_voltage, 0.86598357, 5)
self.assertAlmostEqual(NE_upper_SOC, 95.1648351, 5)
self.assertAlmostEqual(NE_lower_SOC, 42.30769230, 5)
self.assertAlmostEqual(NE_mass, 192.6796998, 5)
self.assertAlmostEqual(SOC_upper, 183.363318, 5)
self.assertAlmostEqual(SOC_lower, 81.518334, 5)
self.assertAlmostEqual(PE_upper_SOC, 99.06054279, 5)
self.assertAlmostEqual(PE_lower_SOC, 48.8517745, 5)
self.assertAlmostEqual(Li_mass, 185.2689422, 5)
def test_intracell(self):
ia = IntracellAnalysis(
os.path.join(TEST_FILE_DIR,
'cathode_clean_cc_charge_exptl_aligned.csv'),
os.path.join(
TEST_FILE_DIR,
'anode_secondMeasure_clean_cc_charge_exptl_aligned.csv'),
cycle_type='rpt_0.2C',
step_type=0)
real_cell_initial_charge_profile_aligned, real_cell_initial_charge_profile = \
ia.process_beep_cycle_data_for_initial_halfcell_analysis(self.cell_struct)
# Solving initial electrode matching to real full cell
electrode_matching_bounds = ((0.8, 1.2), (-20.0, 20.0), (1, 1),
(0.1, 0.1), (0.1, 0.1))
# (-1,1),(0.01,0.1),(0.01,0.1)
opt_result_halfcell_initial_matching = differential_evolution(
ia._get_error_from_halfcell_initial_matching,
electrode_matching_bounds,
args=(real_cell_initial_charge_profile_aligned, ia.pe_pristine,
ia.ne_1_pristine, ia.ne_2_pristine_pos,
ia.ne_2_pristine_neg),
strategy='best1bin',
maxiter=1000,
popsize=15,
tol=0.001,
mutation=0.5,
recombination=0.7,
seed=1,
callback=None,
disp=False,
polish=True,
init='latinhypercube',
atol=0,
updating='deferred',
workers=-1,
constraints=())
print(opt_result_halfcell_initial_matching)
self.assertEqual(opt_result_halfcell_initial_matching.success, True)
self.assertAlmostEqual(opt_result_halfcell_initial_matching.x[0],
0.999459, 5)
self.assertAlmostEqual(opt_result_halfcell_initial_matching.x[1],
-4.1740795, 6)
# test_opt = np.array([0.999459, -4.1740795, 1.0, 0.1, 0.1])
(PE_pristine_matched, NE_pristine_matched, df_real_interped,
emulated_full_cell_interped) = ia.halfcell_initial_matching_v2(
opt_result_halfcell_initial_matching.x,
real_cell_initial_charge_profile_aligned, ia.pe_pristine,
ia.ne_1_pristine, ia.ne_2_pristine_pos, ia.ne_2_pristine_neg)
print(PE_pristine_matched)
self.assertAlmostEqual(PE_pristine_matched['SOC_aligned'].min(),
-4.675029, 5)
self.assertAlmostEqual(PE_pristine_matched['SOC_aligned'].max(),
109.350057, 5)
self.assertAlmostEqual(PE_pristine_matched['Voltage_aligned'].min(),
2.865916, 5)
self.assertAlmostEqual(PE_pristine_matched['Voltage_aligned'].max(),
4.29917115, 5)
eol_cycle_index_list = self.cell_struct.diagnostic_summary[
(self.cell_struct.diagnostic_summary.cycle_type == ia.cycle_type)
& (self.cell_struct.diagnostic_summary.discharge_capacity >
ia.threshold)].cycle_index.to_list()
#
# initial bounds (for first cycle); they expand as the cell degrades (see update further down).
# allow negative degradation, as it may reflect gained capacity from electrolyte wetting or other phenomena
degradation_bounds = (
(-10, 50), # LLI
(-10, 50), # LAM_PE
(-10, 50), # LAM_NE
(1, 1), # (-1,1) x_NE_2
(0.1, 0.1), # (0.01,0.1)
(0.1, 0.1), # (0.01,0.1)
)
#
# # initializations before for loop
dataset_dict_of_cell_degradation_path = dict()
real_cell_dict_of_profiles = dict()
for i, cycle_index in enumerate(eol_cycle_index_list):
real_cell_candidate_charge_profile_aligned = ia.process_beep_cycle_data_for_candidate_halfcell_analysis(
self.cell_struct, real_cell_initial_charge_profile_aligned,
real_cell_initial_charge_profile, cycle_index)
degradation_optimization_result = differential_evolution(
ia._get_error_from_degradation_matching,
degradation_bounds,
args=(PE_pristine_matched, NE_pristine_matched,
ia.ne_2_pristine_pos, ia.ne_2_pristine_neg,
real_cell_candidate_charge_profile_aligned),
strategy='best1bin',
maxiter=100000,
popsize=15,
tol=0.001,
mutation=0.5,
recombination=0.7,
seed=1,
callback=None,
disp=False,
polish=True,
init='latinhypercube',
atol=0,
updating='deferred',
workers=-1,
constraints=())
(PE_out_centered, NE_out_centered, dVdQ_over_SOC_real,
dVdQ_over_SOC_emulated, df_real_interped,
emulated_full_cell_interped
) = ia.get_dQdV_over_V_from_degradation_matching(
degradation_optimization_result.x, PE_pristine_matched,
NE_pristine_matched, ia.ne_2_pristine_pos,
ia.ne_2_pristine_neg,
real_cell_candidate_charge_profile_aligned)
#
(PE_upper_voltage, PE_lower_voltage, PE_upper_SOC, PE_lower_SOC,
PE_mass, NE_upper_voltage, NE_lower_voltage, NE_upper_SOC,
NE_lower_SOC, NE_mass, SOC_upper, SOC_lower,
Li_mass) = get_halfcell_voltages(PE_out_centered, NE_out_centered)
#
LLI = degradation_optimization_result.x[0]
LAM_PE = degradation_optimization_result.x[1]
LAM_NE = degradation_optimization_result.x[2]
x_NE_2 = degradation_optimization_result.x[3]
alpha_real = degradation_optimization_result.x[4]
alpha_emulated = degradation_optimization_result.x[5]
tmp_dict = {
cycle_index: [
LLI, LAM_PE, LAM_NE, x_NE_2, alpha_real, alpha_emulated,
PE_upper_voltage, PE_lower_voltage, PE_upper_SOC,
PE_lower_SOC, PE_mass, NE_upper_voltage, NE_lower_voltage,
NE_upper_SOC, NE_lower_SOC, NE_mass, Li_mass
]
}
dataset_dict_of_cell_degradation_path.update(tmp_dict)
real_cell_dict_of_profiles.update(
{cycle_index: real_cell_candidate_charge_profile_aligned})
degradation_df = pd.DataFrame(
dataset_dict_of_cell_degradation_path,
index=[
'LLI', 'LAM_PE', 'LAM_NE', 'x_NE_2', 'alpha_real',
'alpha_emulated', 'PE_upper_voltage', 'PE_lower_voltage',
'PE_upper_SOC', 'PE_lower_SOC', 'PE_mass', 'NE_upper_voltage',
'NE_lower_voltage', 'NE_upper_SOC', 'NE_lower_SOC', 'NE_mass',
'Li_mass'
]).T
# print(degradation_df.iloc[0].to_list())
self.assertAlmostEqual(degradation_df['LLI'].iloc[0], -0.027076, 5)
self.assertAlmostEqual(degradation_df['LAM_PE'].iloc[0], 0.06750165, 5)
self.assertAlmostEqual(degradation_df['LAM_NE'].iloc[0], 0.3055425, 5)
self.assertAlmostEqual(degradation_df['PE_upper_voltage'].iloc[0],
4.25095116, 5)
self.assertAlmostEqual(degradation_df['PE_lower_voltage'].iloc[0],
3.62354913951, 5)
self.assertAlmostEqual(degradation_df['PE_upper_SOC'].iloc[0],
95.7202505, 5)
self.assertAlmostEqual(degradation_df['PE_mass'].iloc[0], 109.24224079,
5)
self.assertAlmostEqual(degradation_df['NE_upper_voltage'].iloc[0],
0.050515360, 5)
self.assertAlmostEqual(degradation_df['NE_lower_voltage'].iloc[0],
0.8564127166, 5)
self.assertAlmostEqual(degradation_df['NE_upper_SOC'].iloc[0],
91.832460, 5)
self.assertAlmostEqual(degradation_df['NE_mass'].iloc[0], 108.900146,
5)
self.assertAlmostEqual(degradation_df['Li_mass'].iloc[0], 104.680978,
5)