** solidelectrode_halfcell_1C_QEC3D8R.inp
*HEADING
set a_s=1, ECD=35.8
history output, use time interval=10
25 ele in cathode, 18 ele in separator
cross section width: 0.5e-2; height: 1.57e-2 
nominal capacity: 2.81e-3 Ah
1 C rate
**
*preprint, model=no, history=no, echo=no
*physical constants, STEFAN BOLTZMANN=1.38064852e-23, absolute zero = 0., faraday constant = 96485.3329, universal gas constant = 8.314, boltzmann=1.38064852e-23, avogadro number= 6.02214086e+23, elementary charge = 1.602176634e-19
**
**
**************************************************************
** Mesh Definition
*NODE, NSET=NALL
1,0,0,0
2,0.005,0,0
3,0.005,0.0157,0
4,0,0.0157,0
5,0,0,0.00000737
6,0.005,0,0.00000737
7,0.005,0.0157,0.00000737
8,0,0.0157,0.00000737
9,0,0,8.75888888888889E-06
10,0.005,0,8.75888888888889E-06
11,0.005,0.0157,8.75888888888889E-06
12,0,0.0157,8.75888888888889E-06
13,0,0,1.01477777777778E-05
14,0.005,0,1.01477777777778E-05
15,0.005,0.0157,1.01477777777778E-05
16,0,0.0157,1.01477777777778E-05
17,0,0,1.15366666666667E-05
18,0.005,0,1.15366666666667E-05
19,0.005,0.0157,1.15366666666667E-05
20,0,0.0157,1.15366666666667E-05
21,0,0,1.29255555555556E-05
22,0.005,0,1.29255555555556E-05
23,0.005,0.0157,1.29255555555556E-05
24,0,0.0157,1.29255555555556E-05
25,0,0,1.43144444444444E-05
26,0.005,0,1.43144444444444E-05
27,0.005,0.0157,1.43144444444444E-05
28,0,0.0157,1.43144444444444E-05
29,0,0,1.57033333333333E-05
30,0.005,0,1.57033333333333E-05
31,0.005,0.0157,1.57033333333333E-05
32,0,0.0157,1.57033333333333E-05
33,0,0,1.70922222222222E-05
34,0.005,0,1.70922222222222E-05
35,0.005,0.0157,1.70922222222222E-05
36,0,0.0157,1.70922222222222E-05
37,0,0,1.84811111111111E-05
38,0.005,0,1.84811111111111E-05
39,0.005,0.0157,1.84811111111111E-05
40,0,0.0157,1.84811111111111E-05
41,0,0,0.00001987
42,0.005,0,0.00001987
43,0.005,0.0157,0.00001987
44,0,0.0157,0.00001987
45,0,0,2.12588888888889E-05
46,0.005,0,2.12588888888889E-05
47,0.005,0.0157,2.12588888888889E-05
48,0,0.0157,2.12588888888889E-05
49,0,0,2.26477777777778E-05
50,0.005,0,2.26477777777778E-05
51,0.005,0.0157,2.26477777777778E-05
52,0,0.0157,2.26477777777778E-05
53,0,0,2.40366666666667E-05
54,0.005,0,2.40366666666667E-05
55,0.005,0.0157,2.40366666666667E-05
56,0,0.0157,2.40366666666667E-05
57,0,0,2.54255555555556E-05
58,0.005,0,2.54255555555556E-05
59,0.005,0.0157,2.54255555555556E-05
60,0,0.0157,2.54255555555556E-05
61,0,0,2.68144444444444E-05
62,0.005,0,2.68144444444444E-05
63,0.005,0.0157,2.68144444444444E-05
64,0,0.0157,2.68144444444444E-05
65,0,0,2.82033333333333E-05
66,0.005,0,2.82033333333333E-05
67,0.005,0.0157,2.82033333333333E-05
68,0,0.0157,2.82033333333333E-05
69,0,0,2.95922222222222E-05
70,0.005,0,2.95922222222222E-05
71,0.005,0.0157,2.95922222222222E-05
72,0,0.0157,2.95922222222222E-05
73,0,0,3.09811111111111E-05
74,0.005,0,3.09811111111111E-05
75,0.005,0.0157,3.09811111111111E-05
76,0,0.0157,3.09811111111111E-05
77,0,0,0.00003237
78,0.005,0,0.00003237
79,0.005,0.0157,0.00003237
80,0,0.0157,0.00003237
81,0,0,0.00003477
82,0.005,0,0.00003477
83,0.005,0.0157,0.00003477
84,0,0.0157,0.00003477
85,0,0,0.00003717
86,0.005,0,0.00003717
87,0.005,0.0157,0.00003717
88,0,0.0157,0.00003717
89,0,0,0.00003957
90,0.005,0,0.00003957
91,0.005,0.0157,0.00003957
92,0,0.0157,0.00003957
93,0,0,0.00004197
94,0.005,0,0.00004197
95,0.005,0.0157,0.00004197
96,0,0.0157,0.00004197
97,0,0,0.00004437
98,0.005,0,0.00004437
99,0.005,0.0157,0.00004437
100,0,0.0157,0.00004437
101,0,0,0.00004677
102,0.005,0,0.00004677
103,0.005,0.0157,0.00004677
104,0,0.0157,0.00004677
105,0,0,0.00004917
106,0.005,0,0.00004917
107,0.005,0.0157,0.00004917
108,0,0.0157,0.00004917
109,0,0,0.00005157
110,0.005,0,0.00005157
111,0.005,0.0157,0.00005157
112,0,0.0157,0.00005157
113,0,0,0.00005397
114,0.005,0,0.00005397
115,0.005,0.0157,0.00005397
116,0,0.0157,0.00005397
117,0,0,0.00005637
118,0.005,0,0.00005637
119,0.005,0.0157,0.00005637
120,0,0.0157,0.00005637
121,0,0,0.00005877
122,0.005,0,0.00005877
123,0.005,0.0157,0.00005877
124,0,0.0157,0.00005877
125,0,0,0.00006117
126,0.005,0,0.00006117
127,0.005,0.0157,0.00006117
128,0,0.0157,0.00006117
129,0,0,0.00006357
130,0.005,0,0.00006357
131,0.005,0.0157,0.00006357
132,0,0.0157,0.00006357
133,0,0,0.00006597
134,0.005,0,0.00006597
135,0.005,0.0157,0.00006597
136,0,0.0157,0.00006597
137,0,0,0.00006837
138,0.005,0,0.00006837
139,0.005,0.0157,0.00006837
140,0,0.0157,0.00006837
141,0,0,0.00007077
142,0.005,0,0.00007077
143,0.005,0.0157,0.00007077
144,0,0.0157,0.00007077
145,0,0,0.00007317
146,0.005,0,0.00007317
147,0.005,0.0157,0.00007317
148,0,0.0157,0.00007317
149,0,0,0.00007557
150,0.005,0,0.00007557
151,0.005,0.0157,0.00007557
152,0,0.0157,0.00007557
153,0,0,0.00007797
154,0.005,0,0.00007797
155,0.005,0.0157,0.00007797
156,0,0.0157,0.00007797
157,0,0,0.00008037
158,0.005,0,0.00008037
159,0.005,0.0157,0.00008037
160,0,0.0157,0.00008037
161,0,0,0.00008277
162,0.005,0,0.00008277
163,0.005,0.0157,0.00008277
164,0,0.0157,0.00008277
165,0,0,0.00008517
166,0.005,0,0.00008517
167,0.005,0.0157,0.00008517
168,0,0.0157,0.00008517
169,0,0,0.00008757
170,0.005,0,0.00008757
171,0.005,0.0157,0.00008757
172,0,0.0157,0.00008757
173,0,0,0.00008997
174,0.005,0,0.00008997
175,0.005,0.0157,0.00008997
176,0,0.0157,0.00008997
177,0,0,0.00009237
178,0.005,0,0.00009237
179,0.005,0.0157,0.00009237
180,0,0.0157,0.00009237
*ELEMENT, TYPE=QEC3D8R, ELSET=EALL
1,1,2,3,4,5,6,7,8
2,5,6,7,8,9,10,11,12
3,9,10,11,12,13,14,15,16
4,13,14,15,16,17,18,19,20
5,17,18,19,20,21,22,23,24
6,21,22,23,24,25,26,27,28
7,25,26,27,28,29,30,31,32
8,29,30,31,32,33,34,35,36
9,33,34,35,36,37,38,39,40
10,37,38,39,40,41,42,43,44
11,41,42,43,44,45,46,47,48
12,45,46,47,48,49,50,51,52
13,49,50,51,52,53,54,55,56
14,53,54,55,56,57,58,59,60
15,57,58,59,60,61,62,63,64
16,61,62,63,64,65,66,67,68
17,65,66,67,68,69,70,71,72
18,69,70,71,72,73,74,75,76
19,73,74,75,76,77,78,79,80
20,77,78,79,80,81,82,83,84
21,81,82,83,84,85,86,87,88
22,85,86,87,88,89,90,91,92
23,89,90,91,92,93,94,95,96
24,93,94,95,96,97,98,99,100
25,97,98,99,100,101,102,103,104
26,101,102,103,104,105,106,107,108
27,105,106,107,108,109,110,111,112
28,109,110,111,112,113,114,115,116
29,113,114,115,116,117,118,119,120
30,117,118,119,120,121,122,123,124
31,121,122,123,124,125,126,127,128
32,125,126,127,128,129,130,131,132
33,129,130,131,132,133,134,135,136
34,133,134,135,136,137,138,139,140
35,137,138,139,140,141,142,143,144
36,141,142,143,144,145,146,147,148
37,145,146,147,148,149,150,151,152
38,149,150,151,152,153,154,155,156
39,153,154,155,156,157,158,159,160
40,157,158,159,160,161,162,163,164
41,161,162,163,164,165,166,167,168
42,165,166,167,168,169,170,171,172
43,169,170,171,172,173,174,175,176
44,173,174,175,176,177,178,179,180
*ELSET, ELSET=ANODE, GENERATE
1, 1, 1
*ELSET, ELSET=SEPARATOR, GENERATE
2, 19, 1
*ELSET, ELSET=CATHODE, GENERATE
20, 44, 1
*NSET, NSET=N_GROUND
1,2,3,4
*NSET, NSET=N_GROUND_SENSOR
1
*NSET, NSET=N_ANODE
1
*NSET, NSET=N_CATHODE
 177 
*NSET, NSET=SENSOR
 177 
*NSET, NSET=N_LOAD
177, 178, 179, 180
*NSET, NSET=N_SEPARATOR
 5,41,77 
*ELSET, ELSET=EL_ANODE
1
*ELSET, ELSET=EL_CATHODE
 20,44 
*ELSET, ELSET=EL_SEPARATOR
 2,11,19 
*NSET, NSET=CATHODE, ELSET=CATHODE
*NSET, NSET=ANODE, ELSET=ANODE
*NSET, NSET=SEPARATOR, ELSET=SEPARATOR
*SURFACE, TYPE=ELEMENT, NAME=LOAD
44, S2
*SURFACE, TYPE=ELEMENT, NAME=bvsurf
1, S2
*SOLID SECTION, ELSET=ANODE, MATERIAL=MAT_ANODE_ACTIVE
*SOLID SECTION, ELSET=CATHODE, MATERIAL=ABQ_ECHEMPET_CATHODE
*SOLID SECTION, ELSET=SEPARATOR, MATERIAL=ABQ_ECHEMPET_SEPARATOR
**
*SYSTEM
**
**************************************************************
** Parameter/Property Definition
**************************************************************
** PARAMETER/PROPERTY TABLE TYPES
**************************************************************
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Arrhenius", PARAMETER=2 
**   This parameter table is required when the temperature dependency
**       x(T) = k * x(T0) * exp (E_a / R * (1.0/T0 - 1.0/T))
  FLOAT   , "E_a ... Activation energy of diffusion coeff in this layer material"
  FLOAT   , "T0 ... Reference Temperature"
**
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_CubicSplineC2", PARAMETER=6
**   Define cubic spline polynomials data
  FLOAT   , "xStart"
  FLOAT   , "xEnd"
  FLOAT   , "Coeff_x^3"
  FLOAT   , "Coeff_x^2"
  FLOAT   , "Coeff_x^1"
  FLOAT   , "Coeff_x^0"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_LogScale_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Log of diffusion coefficient in the particle (log10(D_s)) [m2/s]
** Col.02: Normalized Li-ion concentration in the particle (c_s) [-]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
**************************************************************
** ELECTROLYTE
**************************************************************
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte", PARAMETER=3
  STRING  , "Electrolyte name (PF6 etc.)"
  FLOAT   , "Charge number of Lithium ion battery"
  FLOAT   , "\mu(Li)"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_ElecCond_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=2
** Col.01: Electrical conductivity in the liquid phase (kappa_e) [S/m]
** Col.02: Li-ion concentration in the liquid phase (C_e) [mol/m3]
** Col.03: Convection-replated independent variable.
** Col.04: (OPTIONAL) Temperature (T) [K]
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_DiffTabular", PROPERTIES=1, INDEPENDENT VARIABLES=2
** Col.01: Diffusion coefficient in the liquid phase (D_e) [m2/s]
** Col.02: Li-ion concentration in the liquid phase (C_e) [mol/m3]
** Col.03: Convection-replated independent variable.
** Col.04: (OPTIONAL) Temperature (T) [K]
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Part of molar activity coefficient (d ln(f_\pm)/d ln(C_e)) in Eq.(7) in [Liu2019] [-]
** Col.02: Li-ion concentration in the liquid phase (C_e) [mol/m3]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_Transference", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Transference value
** Col.02: Li-ion concentration in the liquid phase (C_e) [mol/m3]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_ChargeDischarge", PROPERTIES=1, INDEPENDENT VARIABLES=2
** Col.01: FlagID (Charge/Discharge etc.)
** Col.02: Step time
** Col.03: Step Number
**
**
**************************************************************
** ELECTRODE
**************************************************************
** Definition ------------------------------------------------
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Definition", PARAMETER=12
STRING  , "Region Name"
STRING  , "Region Type: Anode/Cathode/Separator"
FLOAT   , "epsS ... Total volume fraction of solids"
FLOAT   , "epsE ... Volume fraction of electrolyte in cathode/anode"
FLOAT   , "epsB ... Volume fraction of binder in cathode/anode (epsB=1.0-(epsS + epsE))"
FLOAT   , "epsSinact ... Inactive volume fraction of solids"
FLOAT   , "UtilFrac ... fraction of utilization of the cathode (1.0 at the anode)"
FLOAT   , "C_SEI ... capacity loss due to initial SEI formation in the first few cycles"
FLOAT   , "alphaT  ... Bruggeman exponent in thickness direction (Z)"
FLOAT   , "alphaMD ... Bruggeman exponent in the Manufacturing direction (X)"
FLOAT   , "alphaTD ... Bruggeman exponent in the Transverse direction (Y)"
FLOAT   ,0, "ConvCoef ... Convection Coefficient (Default is 0.0, and set 1.0 for swelling)"
**
** Macroscale ------------------------------------------------
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_ElecCond_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=1 
** Col.01: Electrical conductivity in the liquid phase (kappa_e) [S/m]
** Col.02: Average Li-ion concentration in the solid phase (C_s_avg) [mol/m3]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
** Microscale: Particle/Layer definition ---------------------
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particles", PARAMETER=5
STRING  , "Name of the particle type"
FLOAT   , "rad_p ... Particle outer radius"
FLOAT   , "epsSP ... Volume fraction for each particle type"
FLOAT   , "c_s_init ... Initial concentration of Particle"
STRING  , "Formulation_### (Concentration / ChemicalPotential)"
**
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layers", PARAMETER=2
** NOTE that 1st layer is inner layer, and the last layer is outer Layer_
STRING  , "Name of the layer - Carbon/Silicon/Binder/NMC811/NMC841/etc." 
FLOAT   , "epsL_wt ... Wt. percentage of the layer"
**
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_Discretization", PARAMETER=2
INTEGER , "Number or segments/elements in this layer"
STRING  , "Distribution type: Uniform/Quadratic/EquiVolumetric"
**
** Microscale: Properties in layer ---------------------------
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", PARAMETER=3
FLOAT   , "c_s_max ... Max Li concentration in solid substance"
STRING  , "DiffusionModel_### (Tabular / LogTabular / CoeffSpline)" 
STRING  , "DiffusionModel_### (ChemoMech / Chemopot)"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Volumetric expansion rate by swelling
** Col.02: normalized averaged concentration (c_s_ave)
**
*Parameter Table Type, Name="ABQ_EChemPET_Electrode_Swelling", parameter = 3
Float , 0.333, "Scalingfac x SwellingCoeff - Xdir"
Float, 0.333, "Scalingfac x SwellingCoeff - Ydir"
Float, 0.333, "Scalingfac x SwellingCoeff - Zdir"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Open circuit potential (E_ref) [V]
** Col.02: Normalized concentration at the surface of the particle (c_s_surf) [-]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", PARAMETERS=2
FLOAT   , "Open circuit potential (E_ref) [V]"
FLOAT   , "Normalized Li-ion concentration at the surface of the particle (c_s_surf) [-]"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_DsTabular", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Diffusion coefficient in the particle (D_s) [m2/s]
** Col.02: Normalized Li-ion concentration in the particle (c_s) [-]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
** Microscale: Butler-Volmer equation ------------------------
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", PARAMETER=8
FLOAT   , "k_c ... Cathodic rate constant"
FLOAT   , "k_a ... Anodic rate constant"
FLOAT   , "alpha_c ... Cathodic transfer coefficient"
FLOAT   , "alpha_a ... Anodic transfer coefficient"
FLOAT   , "C_e_ref ... Reference value of Li concentration in the electrolyte"
FLOAT   , "R_SEI ... Resistance of SEI to reduce the overpotential"
FLOAT   , "SurfaceStressCoeff ... partial molar volume coeff for hydrostratic stress"
FLOAT   , "a_S ... particle surface area/unit volume - ignored if_Formula above"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_CurrXchgDens_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: Exchange current density (I_0(c_s,T)) [A]
** Col.02: Normalized Li-ion concentration in the particle (c_s) [-]
** Col.03: (OPTIONAL) Temperature (T) [K]
**
** Microscale: Convergion control ----------------------------
*Parameter Table Type, Name = "ABQ_EChemPET_Electrode_Particle_ConvergenceControls", parameter=8
Float , 0.15, "Minium xCr to trigger usage damping until xCr = 0.0"
Float , 0.85, "Maximum xCr to trigger usage of damping until xCr= 1.0"
Float, 1, "Viscous Damping value"
Float, 20.0, "Coeff. Used in exp(coeff * xCr)"
Float, 0.05, "Change in BVI allowed between increments"
Float, 0.05, "Change in csurf allowed between increments"
Float, 0.025, "Change in OCP allowed between increments"
Float, 0.25, "PnewDT Define if microscale doesn't converge"
**
** Thermal property ------------------------------------------
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_PowerLoss", PARAMETER=3
FLOAT   , "fraction of Ohmic losses to transform into heat in electrode"
FLOAT   , "fraction of Ohmic losses to transform into heat in electrolyte"
FLOAT   , "fraction of Ohmic losses to transform into heat due to ionic diffusion"
**
*PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_PowerLoss", PARAMETER=2
FLOAT   , "fraction of Ohmic losses to transform into heat at solid/liquid interface"
FLOAT   , "fraction of entropy generation terms to transform into heat"
**
*PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=1
** Col.01: dU/dT [V/K]
** Col.02: C_s_avg [-]
**
**
**************************************************************
** Material Definition
**********************************************************************************
**********************************************************************************
**********************************************************************************
*MATERIAL, NAME=ABQ_ECHEMPET_CATHODE
** Electrolyte - Electrochemical definition
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrolyte", LABEL="ABQ_EChemPET_Electrolyte"
 "MAT_ELECTROLYTE", 1.0, 1.0
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_ElecCond_Tabular", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_CondTabular", TEMPERATURE
**-------k_e_1..n,-------C_e_1..n,-(convection   ,---------T_1..n,
**          [S/m],       [mol/m3],       related)             [K],
0, 0, 0, 298.15
0.378073689314501, 200, 0, 298.15
0.598193702190595, 400, 0, 298.15
0.722804721716784, 600, 0, 298.15
0.777678775599755, 800, 0, 298.15
0.782616941270123, 850, 0, 298.15
0.784510739967148, 900, 0, 298.15
0.783571395911494, 950, 0, 298.15
0.78, 1000, 0, 298.15
0.77398879508094, 1050, 0, 298.15
0.765722243915981, 1100, 0, 298.15
0.755377924912995, 1150, 0, 298.15
0.743127289781529, 1200, 0, 298.15
0.729136309332187, 1250, 0, 298.15
0.713566027799574, 1300, 0, 298.15
0.696573041705477, 1350, 0, 298.15
0.678309915978776, 1400, 0, 298.15
0.658925547523263, 1450, 0, 298.15
0.638565484471365, 1500, 0, 298.15
0.617372207836146, 1550, 0, 298.15
0.595485381071554, 1600, 0, 298.15
0.573042072094905, 1650, 0, 298.15
0.550176951559804, 1700, 0, 298.15
0.527022470549523, 1750, 0, 298.15
0.503709020358531, 1800, 0, 298.15
0.48036507661898, 1850, 0, 298.15
0.457117329690834, 1900, 0, 298.15
0.43409080295448, 1950, 0, 298.15
0.41140896041185, 2000, 0, 298.15
0, 0, 1, 298.15
0.378073689314501, 200, 1, 298.15
0.598193702190595, 400, 1, 298.15
0.722804721716784, 600, 1, 298.15
0.777678775599755, 800, 1, 298.15
0.782616941270123, 850, 1, 298.15
0.784510739967148, 900, 1, 298.15
0.783571395911494, 950, 1, 298.15
0.78, 1000, 1, 298.15
0.77398879508094, 1050, 1, 298.15
0.765722243915981, 1100, 1, 298.15
0.755377924912995, 1150, 1, 298.15
0.743127289781529, 1200, 1, 298.15
0.729136309332187, 1250, 1, 298.15
0.713566027799574, 1300, 1, 298.15
0.696573041705477, 1350, 1, 298.15
0.678309915978776, 1400, 1, 298.15
0.658925547523263, 1450, 1, 298.15
0.638565484471365, 1500, 1, 298.15
0.617372207836146, 1550, 1, 298.15
0.595485381071554, 1600, 1, 298.15
0.573042072094905, 1650, 1, 298.15
0.550176951559804, 1700, 1, 298.15
0.527022470549523, 1750, 1, 298.15
0.503709020358531, 1800, 1, 298.15
0.48036507661898, 1850, 1, 298.15
0.457117329690834, 1900, 1, 298.15
0.43409080295448, 1950, 1, 298.15
0.41140896041185, 2000, 1, 298.15
0, 0, 0, 400
0.786176428657953, 500, 0, 400
0.945348900354524, 1000, 0, 400
0.816954425436611, 1500, 0, 400
0.579621392004343, 2000, 0, 400
0, 0, 1, 400
0.786176428657953, 500, 1, 400
0.945348900354524, 1000, 1, 400
0.816954425436611, 1500, 1, 400
0.579621392004343, 2000, 1, 400
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_Transference", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_Transference", TEMPERATURE
***------tPlus_1..n,-------C_e_1..n,---------T_1..n,
**            [-]        [mol/m3],            [K],
0.2, 1000, 298.15
0.2, 1001, 298.15
0.2, 1000, 299.15
0.2, 1001, 299.15
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_MolarActivityCoeff_fPM", TEMPERATURE
***------coef_1..n,-------C_e_1..n,---------T_1..n,
**            [-]        [mol/m3],            [K],
-0.427671653686732, 0, 298.15
-0.254890075756724, 200, 298.15
-5.47521524327934E-02, 400, 298.15
0.172742116285061, 600, 298.15
0.427592730396838, 800, 298.15
0.495579812892583, 850, 298.15
0.565276666975448, 900, 298.15
0.636683292645433, 950, 298.15
0.709799689902539, 1000, 298.15
0.784625858746764, 1050, 298.15
0.86116179917811, 1100, 298.15
0.939407511196576, 1150, 298.15
1.01936299480216, 1200, 298.15
1.10102824999487, 1250, 298.15
1.1844032767747, 1300, 298.15
1.26948807514164, 1350, 298.15
1.35628264509571, 1400, 298.15
1.4447869866369, 1450, 298.15
1.5350010997652, 1500, 298.15
1.62692498448063, 1550, 298.15
1.72055864078318, 1600, 298.15
1.81590206867285, 1650, 298.15
1.91295526814964, 1700, 298.15
2.01171823921355, 1750, 298.15
2.11219098186457, 1800, 298.15
2.21437349610272, 1850, 298.15
2.31826578192799, 1900, 298.15
2.42386783934038, 1950, 298.15
2.53117966833989, 2000, 298.15
-0.314962655471928, 0, 400
0.931226965756681, 500, 400
2.58054063969249, 1000, 400
4.63297836633549, 1500, 400
7.08854014568568, 2000, 400
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_DiffTabular", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_DiffTabular", TEMPERATURE
**-------D_e_1..n,-------C_e_1..n,-(convection   ,---------T_1..n,
**          [m2/s],       [mol/m3],       related)             [K],
7.64706446754818E-09, 0, 0, 298.15
5.03348402025189E-09, 200, 0, 298.15
3.98202589348524E-09, 400, 0, 298.15
3.20768686048183E-09, 600, 0, 298.15
2.58840657291427E-09, 800, 0, 298.15
2.45161660229535E-09, 850, 0, 298.15
2.32101858855456E-09, 900, 0, 298.15
2.19622688242443E-09, 950, 0, 298.15
2.07690598248984E-09, 1000, 0, 298.15
1.96276185455886E-09, 1050, 0, 298.15
1.85353509244132E-09, 1100, 0, 298.15
1.74899546409427E-09, 1150, 0, 298.15
1.64893751484906E-09, 1200, 0, 298.15
1.55317698759239E-09, 1250, 0, 298.15
1.46154788169472E-09, 1300, 0, 298.15
1.37390001667545E-09, 1350, 0, 298.15
1.29009699860669E-09, 1400, 0, 298.15
1.21001451075726E-09, 1450, 0, 298.15
1.13353886744453E-09, 1500, 0, 298.15
1.06056578319095E-09, 1550, 0, 298.15
9.90999319257015E-10, 1600, 0, 298.15
9.24750977274502E-10, 1650, 0, 298.15
8.6173891562789E-10, 1700, 0, 298.15
8.01887268857789E-10, 1750, 0, 298.15
7.4512555400052E-10, 1800, 0, 298.15
6.91388150664693E-10, 1850, 0, 298.15
6.40613843950523E-10, 1900, 0, 298.15
5.92745421170269E-10, 1950, 0, 298.15
5.47729314826471E-10, 2000, 0, 298.15
7.64706446754818E-09, 0, 1, 298.15
5.03348402025189E-09, 200, 1, 298.15
3.98202589348524E-09, 400, 1, 298.15
3.20768686048183E-09, 600, 1, 298.15
2.58840657291427E-09, 800, 1, 298.15
2.45161660229535E-09, 850, 1, 298.15
2.32101858855456E-09, 900, 1, 298.15
2.19622688242443E-09, 950, 1, 298.15
2.07690598248984E-09, 1000, 1, 298.15
1.96276185455886E-09, 1050, 1, 298.15
1.85353509244132E-09, 1100, 1, 298.15
1.74899546409427E-09, 1150, 1, 298.15
1.64893751484906E-09, 1200, 1, 298.15
1.55317698759239E-09, 1250, 1, 298.15
1.46154788169472E-09, 1300, 1, 298.15
1.37390001667545E-09, 1350, 1, 298.15
1.29009699860669E-09, 1400, 1, 298.15
1.21001451075726E-09, 1450, 1, 298.15
1.13353886744453E-09, 1500, 1, 298.15
1.06056578319095E-09, 1550, 1, 298.15
9.90999319257015E-10, 1600, 1, 298.15
9.24750977274502E-10, 1650, 1, 298.15
8.6173891562789E-10, 1700, 1, 298.15
8.01887268857789E-10, 1750, 1, 298.15
7.4512555400052E-10, 1800, 1, 298.15
6.91388150664693E-10, 1850, 1, 298.15
6.40613843950523E-10, 1900, 1, 298.15
5.92745421170269E-10, 1950, 1, 298.15
5.47729314826471E-10, 2000, 1, 298.15
1.16889556644565E-08, 0, 0, 400
5.61690949908092E-09, 500, 0, 400
3.37706590072371E-09, 1000, 0, 400
1.83364587219113E-09, 1500, 0, 400
1.035289530423E-09, 2000, 0, 400
1.16889556644565E-08, 0, 1, 400
5.61690949908092E-09, 500, 1, 400
3.37706590072371E-09, 1000, 1, 400
1.83364587219113E-09, 1500, 1, 400
1.035289530423E-09, 2000, 1, 400
**
**
**-------------------------------------------------------------------------
**----------------           Macro Scale     ------------------------------
**-------------------------------------------------------------------------
********
*DENSITY
 2270 
*CONDUCTIVITY
 5 
*SPECIFIC HEAT
 900 
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Definition", LABEL="ABQ_EChemPET_Electrode_Definition"
**-Name--------------,-Type--------------,
  "MAT_CATHODE"        , "Cathode"          
**-----------epsS,-----------epsE,-----------epsB,------epsSinact,-------UtilFrac,----------C_SEI,
0.706, 0.294, 0, 0.00, 1, 0
**---------alphaT,--------alphaMD,--------alphaTD,------ConvCoeff,
**2.35, 2.35, 2.35,  0 
1.35,1.35,1.35,0
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrode_ElecCond_Tabular", LABEL="ABQ_EChemPET_MAT_CATHODE_ElecCond_Tabular", TEMPERATURE
**--------kappa_s,-----csnorm_avg,----Temperature,
**          [S/m],   (normalized),            [K],
100, 0, 290.15
100, 1, 290.15
100, 0, 298.15
100, 1, 298.15
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_PowerLoss", LABEL="ABQ_EChemPET_MAT_CATHODE_PowerLoss"
**--------kappa_s,-----csnorm_avg,----Temperature,
**          [S/m],   (normalized),            [K],
1, 1, 1
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Particles", LABEL="ABQ_EChemPET_MAT_CATHODE_Particles"
**-ParticleName------,----------rad_p,----------epsSP,--------cs_init,-Formulation(Concentration/ChemicalPotential),
"Particle1" , 0.00001, 1, 31400, "Formulation_Concentration"
**
**
**
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_Layers", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layers"
**-LayerName---------,--------epsL_wt
 "Layer1",                   1.0
**
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_Layer_Discretization", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layer1_Discretization"
**-----nElement per Layer,
30, 
**-----DistributionType(Uniform/Quadratic/EquiVolumetric)
"Uniform"
**
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layer1_Diffusion"
**---------cs_max,
32000, 
**---------DiffusionModel(Tabular/LogTabular/CoeffSpline),
"DiffusionModel_LogTabular", 
**----------DiffusionModel(ChemoMech/Chemopot),
"DiffusionModel_ChemoMech"
**
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_LogScale_Tabular", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layer1_DsLogTabular"
**-Log10(D_s),-----Csnorm,-----T_1..n,
**     [m2/s]         [-]         [K],
-11, 0
-11, 1
**
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Arrhenius", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layer1_DiffArrhenius"
**----EnerAct,----TempRef,
69025.7, 298.15
**
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layer1_OCPTabular"
**----------E_ref,-------C_s_surf,-----------Temp
**            [V]    (normalized)             [K],
4.5,0
**4.303, 0.388
**4.305, 0.405
4.304, 0.423
4.284, 0.44
4.252, 0.46
4.223, 0.48
4.193, 0.5
4.168, 0.52
4.145, 0.54
4.123, 0.56
4.096, 0.58
4.075, 0.6
4.052, 0.62
4.033, 0.64
4.015, 0.66
3.996, 0.68
3.979, 0.7
3.966, 0.72
3.954, 0.74
3.943, 0.76
3.934, 0.78
3.925, 0.8
3.918, 0.82
3.913, 0.84
3.909, 0.86
3.905, 0.88
3.906, 0.9
3.904, 0.92
3.904, 0.94
3.9, 0.96
3.872, 0.974
3.83, 0.98
3.765, 0.984
3.643, 0.988
3.423, 0.992
3.011, 0.996
2.533, 1
**
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_Layer1_SwellingTabular"
**-------swelling,---csnorm_1...n,
1, 0
1.008, 1
**
**
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_ButlerVolmer"
**------------k_c,------------k_a,--------alpha_c,--------alpha_a,
**            [-],            [-],            [-],            [-],
1e-10, 1e-10, 0.5, 0.5, 
**--------C_e_ref,----------R_SEI,-SurfStressCoef,
**       [mol/m3],     [Omega/m2],            [-],
1000, 0, 0, 
**--------a_s,
**--------[1/m]
 0 
**
**
**
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_PowerLoss", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_PowerLoss"
**---HF_Interface,--HF_EntropyGen,
1, 1
**
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", LABEL="ABQ_EChemPET_MAT_CATHODE_Particle1_dUdTEntropy_Tabular"
**------dU/dT,-Csnorm_avg,
**      [V/K]         [-]
-0.0000180541, 0.001273153
0.000058393, 0.051527977
0.0000341491, 0.104780497
0.0000168457, 0.154722819
0.0000053295, 0.204684432
-0.00000387579, 0.251320414
-0.0000211752, 0.304596083
-0.0000245935, 0.351251355
-0.0000384265, 0.399538578
-0.0000453092, 0.452848969
-0.0000579809, 0.504473397
-0.0000590901, 0.546136366
-0.0000717541, 0.604427486
-0.0000751762, 0.647749413
-0.0000889996, 0.704370001
-0.00009589, 0.7510137
-0.000123614, 0.797587954
-0.000139756, 0.85086748
-0.0000748849, 0.89941705
-0.000169731, 0.95243423
-0.000375694, 1
**
**
*POROUS ELECTRODE THEORY
**********************************************************************************
**********************************************************************************
**********************************************************************************
**********************************************************************************
*MATERIAL, NAME=ABQ_ECHEMPET_SEPARATOR
** Electrolyte - Electrochemical definition
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrolyte", LABEL="ABQ_EChemPET_Electrolyte"
 "MAT_ELECTROLYTE", 1.0, 1.0
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_ElecCond_Tabular", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_CondTabular", TEMPERATURE
**-------k_e_1..n,-------C_e_1..n,-(convection   ,---------T_1..n,
**          [S/m],       [mol/m3],       related)             [K],
0, 0, 0, 298.15
0.378073689314501, 200, 0, 298.15
0.598193702190595, 400, 0, 298.15
0.722804721716784, 600, 0, 298.15
0.777678775599755, 800, 0, 298.15
0.782616941270123, 850, 0, 298.15
0.784510739967148, 900, 0, 298.15
0.783571395911494, 950, 0, 298.15
0.78, 1000, 0, 298.15
0.77398879508094, 1050, 0, 298.15
0.765722243915981, 1100, 0, 298.15
0.755377924912995, 1150, 0, 298.15
0.743127289781529, 1200, 0, 298.15
0.729136309332187, 1250, 0, 298.15
0.713566027799574, 1300, 0, 298.15
0.696573041705477, 1350, 0, 298.15
0.678309915978776, 1400, 0, 298.15
0.658925547523263, 1450, 0, 298.15
0.638565484471365, 1500, 0, 298.15
0.617372207836146, 1550, 0, 298.15
0.595485381071554, 1600, 0, 298.15
0.573042072094905, 1650, 0, 298.15
0.550176951559804, 1700, 0, 298.15
0.527022470549523, 1750, 0, 298.15
0.503709020358531, 1800, 0, 298.15
0.48036507661898, 1850, 0, 298.15
0.457117329690834, 1900, 0, 298.15
0.43409080295448, 1950, 0, 298.15
0.41140896041185, 2000, 0, 298.15
0, 0, 1, 298.15
0.378073689314501, 200, 1, 298.15
0.598193702190595, 400, 1, 298.15
0.722804721716784, 600, 1, 298.15
0.777678775599755, 800, 1, 298.15
0.782616941270123, 850, 1, 298.15
0.784510739967148, 900, 1, 298.15
0.783571395911494, 950, 1, 298.15
0.78, 1000, 1, 298.15
0.77398879508094, 1050, 1, 298.15
0.765722243915981, 1100, 1, 298.15
0.755377924912995, 1150, 1, 298.15
0.743127289781529, 1200, 1, 298.15
0.729136309332187, 1250, 1, 298.15
0.713566027799574, 1300, 1, 298.15
0.696573041705477, 1350, 1, 298.15
0.678309915978776, 1400, 1, 298.15
0.658925547523263, 1450, 1, 298.15
0.638565484471365, 1500, 1, 298.15
0.617372207836146, 1550, 1, 298.15
0.595485381071554, 1600, 1, 298.15
0.573042072094905, 1650, 1, 298.15
0.550176951559804, 1700, 1, 298.15
0.527022470549523, 1750, 1, 298.15
0.503709020358531, 1800, 1, 298.15
0.48036507661898, 1850, 1, 298.15
0.457117329690834, 1900, 1, 298.15
0.43409080295448, 1950, 1, 298.15
0.41140896041185, 2000, 1, 298.15
0, 0, 0, 400
0.786176428657953, 500, 0, 400
0.945348900354524, 1000, 0, 400
0.816954425436611, 1500, 0, 400
0.579621392004343, 2000, 0, 400
0, 0, 1, 400
0.786176428657953, 500, 1, 400
0.945348900354524, 1000, 1, 400
0.816954425436611, 1500, 1, 400
0.579621392004343, 2000, 1, 400
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_Transference", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_Transference", TEMPERATURE
***------tPlus_1..n,-------C_e_1..n,---------T_1..n,
**            [-]        [mol/m3],            [K],
0.2, 1000, 298.15
0.2, 1001, 298.15
0.2, 1000, 299.15
0.2, 1001, 299.15
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_MolarActivityCoeff_fPM", TEMPERATURE
***------coef_1..n,-------C_e_1..n,---------T_1..n,
**            [-]        [mol/m3],            [K],
-0.427671653686732, 0, 298.15
-0.254890075756724, 200, 298.15
-5.47521524327934E-02, 400, 298.15
0.172742116285061, 600, 298.15
0.427592730396838, 800, 298.15
0.495579812892583, 850, 298.15
0.565276666975448, 900, 298.15
0.636683292645433, 950, 298.15
0.709799689902539, 1000, 298.15
0.784625858746764, 1050, 298.15
0.86116179917811, 1100, 298.15
0.939407511196576, 1150, 298.15
1.01936299480216, 1200, 298.15
1.10102824999487, 1250, 298.15
1.1844032767747, 1300, 298.15
1.26948807514164, 1350, 298.15
1.35628264509571, 1400, 298.15
1.4447869866369, 1450, 298.15
1.5350010997652, 1500, 298.15
1.62692498448063, 1550, 298.15
1.72055864078318, 1600, 298.15
1.81590206867285, 1650, 298.15
1.91295526814964, 1700, 298.15
2.01171823921355, 1750, 298.15
2.11219098186457, 1800, 298.15
2.21437349610272, 1850, 298.15
2.31826578192799, 1900, 298.15
2.42386783934038, 1950, 298.15
2.53117966833989, 2000, 298.15
-0.314962655471928, 0, 400
0.931226965756681, 500, 400
2.58054063969249, 1000, 400
4.63297836633549, 1500, 400
7.08854014568568, 2000, 400
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrolyte_DiffTabular", LABEL="ABQ_EChemPET_MAT_ELECTROLYTE_DiffTabular", TEMPERATURE
**-------D_e_1..n,-------C_e_1..n,-(convection   ,---------T_1..n,
**          [m2/s],       [mol/m3],       related)             [K],
7.64706446754818E-09, 0, 0, 298.15
5.03348402025189E-09, 200, 0, 298.15
3.98202589348524E-09, 400, 0, 298.15
3.20768686048183E-09, 600, 0, 298.15
2.58840657291427E-09, 800, 0, 298.15
2.45161660229535E-09, 850, 0, 298.15
2.32101858855456E-09, 900, 0, 298.15
2.19622688242443E-09, 950, 0, 298.15
2.07690598248984E-09, 1000, 0, 298.15
1.96276185455886E-09, 1050, 0, 298.15
1.85353509244132E-09, 1100, 0, 298.15
1.74899546409427E-09, 1150, 0, 298.15
1.64893751484906E-09, 1200, 0, 298.15
1.55317698759239E-09, 1250, 0, 298.15
1.46154788169472E-09, 1300, 0, 298.15
1.37390001667545E-09, 1350, 0, 298.15
1.29009699860669E-09, 1400, 0, 298.15
1.21001451075726E-09, 1450, 0, 298.15
1.13353886744453E-09, 1500, 0, 298.15
1.06056578319095E-09, 1550, 0, 298.15
9.90999319257015E-10, 1600, 0, 298.15
9.24750977274502E-10, 1650, 0, 298.15
8.6173891562789E-10, 1700, 0, 298.15
8.01887268857789E-10, 1750, 0, 298.15
7.4512555400052E-10, 1800, 0, 298.15
6.91388150664693E-10, 1850, 0, 298.15
6.40613843950523E-10, 1900, 0, 298.15
5.92745421170269E-10, 1950, 0, 298.15
5.47729314826471E-10, 2000, 0, 298.15
7.64706446754818E-09, 0, 1, 298.15
5.03348402025189E-09, 200, 1, 298.15
3.98202589348524E-09, 400, 1, 298.15
3.20768686048183E-09, 600, 1, 298.15
2.58840657291427E-09, 800, 1, 298.15
2.45161660229535E-09, 850, 1, 298.15
2.32101858855456E-09, 900, 1, 298.15
2.19622688242443E-09, 950, 1, 298.15
2.07690598248984E-09, 1000, 1, 298.15
1.96276185455886E-09, 1050, 1, 298.15
1.85353509244132E-09, 1100, 1, 298.15
1.74899546409427E-09, 1150, 1, 298.15
1.64893751484906E-09, 1200, 1, 298.15
1.55317698759239E-09, 1250, 1, 298.15
1.46154788169472E-09, 1300, 1, 298.15
1.37390001667545E-09, 1350, 1, 298.15
1.29009699860669E-09, 1400, 1, 298.15
1.21001451075726E-09, 1450, 1, 298.15
1.13353886744453E-09, 1500, 1, 298.15
1.06056578319095E-09, 1550, 1, 298.15
9.90999319257015E-10, 1600, 1, 298.15
9.24750977274502E-10, 1650, 1, 298.15
8.6173891562789E-10, 1700, 1, 298.15
8.01887268857789E-10, 1750, 1, 298.15
7.4512555400052E-10, 1800, 1, 298.15
6.91388150664693E-10, 1850, 1, 298.15
6.40613843950523E-10, 1900, 1, 298.15
5.92745421170269E-10, 1950, 1, 298.15
5.47729314826471E-10, 2000, 1, 298.15
1.16889556644565E-08, 0, 0, 400
5.61690949908092E-09, 500, 0, 400
3.37706590072371E-09, 1000, 0, 400
1.83364587219113E-09, 1500, 0, 400
1.035289530423E-09, 2000, 0, 400
1.16889556644565E-08, 0, 1, 400
5.61690949908092E-09, 500, 1, 400
3.37706590072371E-09, 1000, 1, 400
1.83364587219113E-09, 1500, 1, 400
1.035289530423E-09, 2000, 1, 400
**
**
**-------------------------------------------------------------------------
**----------------           Macro Scale     ------------------------------
**-------------------------------------------------------------------------
********
*DENSITY
 1200 
*CONDUCTIVITY
 1 
*SPECIFIC HEAT
 1978 
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_Definition", LABEL="ABQ_EChemPET_Electrode_Definition"
**-Name--------------,-Type--------------,
  "MAT_SEPARATOR"        , "Separator"          
**-----------epsS,-----------epsE,-----------epsB,------epsSinact,-------UtilFrac,----------C_SEI,
0.6, 0.4, 0, 0, 1, 0
**---------alphaT,--------alphaMD,--------alphaTD,------ConvCoeff,
**1.5, 1.5, 1.5,  0
0.5,0.5,0.5,0
**
*PROPERTY TABLE, TYPE="ABQ_EChemPET_Electrode_ElecCond_Tabular", LABEL="ABQ_EChemPET_MAT_SEPARATOR_ElecCond_Tabular", TEMPERATURE
**--------kappa_s,-----csnorm_avg,----Temperature,
**          [S/m],   (normalized),            [K],
0, 0, 298.15
0, 1, 298.15
0, 0, 299.15
0, 1, 299.15
**
*PARAMETER TABLE, TYPE="ABQ_EChemPET_Electrode_PowerLoss", LABEL="ABQ_EChemPET_MAT_SEPARATOR_PowerLoss"
**--------kappa_s,-----csnorm_avg,----Temperature,
**          [S/m],   (normalized),            [K],
0, 1, 1
**
**
*POROUS ELECTRODE THEORY
*MATERIAL, NAME=MAT_ANODE_ACTIVE
**-------------------------------------------------------------------------
**----------------           Macro Scale     ------------------------------
**-------------------------------------------------------------------------
********
*DENSITY
 2270 
*CONDUCTIVITY
 5 
*SPECIFIC HEAT
 1437
*electrical conductivity
 1.0e7
*joule heat fraction
 1.0
**********************************************************************************
*Parameter Table type, Name="ABQ_EChem_LMB_ButlerVolmerInterf", parameters=9
 FLOAT, , "k_c", , ,
 FLOAT, , "k_a", , ,
 FLOAT, , "alpha_c", , ,
 FLOAT, , "alpha_a", , ,
 FLOAT, , "c_e_ref", , ,
 FLOAT, , "Rsei", , ,
 FLOAT, , "surfaceStressCoeff", , ,
 FLOAT, , "a-surfRough", , ,
 FLOAT, , "Charge Number of Electrode"
*Parameter Table Type, Name = "ABQ_EChem_LMB_Arrhenius", parameters = 2
 FLOAT, , "ENERACT", , ,
 FLOAT, , "TempRef", , ,
*Property Table Type, Name ="ABQ_EChem_LMB_OCPTabular", properties=1, independent variable = 1
**** <E_ref_1...n> ,     <Temperature>
*Property Table Type, Name="ABQ_EChem_LMB_CurrXchgDens_Tabular",  properties = 1, independent variable = 1
** I_0 , Temperature
*Parameter Table Type, Name = "ABQ_EChem_LMB_Interface_PowerLoss", parameters = 2
 FLOAT, , "InterfaceHeatFraction", , ,
 FLOAT, , "EntropyGenFraction", , ,	
*Property Table Type, Name="ABQ_EChem_LMB_dUdTEntropy_Tabular", properties=1, independent variable = 1
** <dU/dT_1..n>, <Temperature>			- Mastali 2018		Fig 6 (used LiC data)    Need to define the unit of dU/dT
**
**" ---------------- TABLE COLLECTION START ----------------"
**
*Table Collection, Name = "EChemPET_loadTable_LiMetalInterf"
*Parameter Table, Type="ABQ_EChem_LMB_ButlerVolmerInterf",         Label="ABQ_EChem_LMB_ButlerVolmerInterf"
**   k_a,     k_c,   alpha_a,   alpha_c,       
**              0.0,            0.0,          0.500,          0.500, 
6.64e-3, 6.64E-3, 0.5, 0.5,
**--------C_e_ref,----------R_SEI,-SurfStressCoef, a_s,  charge num
**       [mol/m3],     [Omega/m2],            [-],
**           1000,             0.0,      0.0,  1.3569e5, 1.0
             1000,             0.0,      0.0,  1.0, 1.0
*Property Table, Type="ABQ_EChem_LMB_CurrXchgDens_Tabular",  Label="ABQ_EChem_LMB_CurrXchgDens_Tabular"
**** I_0 , Temperature
640.6626, 273.15
640.6626, 313.15
*Property Table, Type="ABQ_EChem_LMB_OCPTabular",      Label="ABQ_EChem_LMB_OCPTabular"
**** <E_ref_1...n> ,     <Temperature>
****      [V]        [-] (Temperature)    [K]      		
       0.0,  273.15
       0.0,  400.15
*Parameter Table, Type="ABQ_EChem_LMB_Interface_PowerLoss",   Label="ABQ_EChem_LMB_Interface_PowerLoss"
** <InterfaceHeatFraction= 1.0>, <EntropyGenFraction=1.0>	
         1.,     1.
*Property Table, Type ="ABQ_EChem_LMB_dUdTEntropy_Tabular",       Label="ABQ_EChem_LMB_dUdTEntropy_Tabular"
** <dU/dT_1..n>, <Temperature>			- Mastali 2018		Fig 6 (used LiC data)    Need to define the unit of dU/dT
**    [V/K]          [-]
 0.000,  273.15
 0.000,  400.15
**
**********************************************************************************
**
**************************************************************
** Initial Conditions
*INITIAL CONDITIONS, TYPE=TEMPERATURE
NALL, 298.15
*INITIAL CONDITIONS, TYPE=SOLID ELECTRIC POTENTIAL
ANODE, 0
CATHODE, 3.81
*INITIAL CONDITIONS, TYPE=FLUID ELECTRIC POTENTIAL
**NALL, 0
CATHODE,  0
SEPARATOR, 0
*INITIAL CONDITIONS, TYPE=ION CONCENTRATION
**NALL, 1000
CATHODE,  1000.
SEPARATOR,1000
**
*time points,  name=timepts
0,360,720,1080,1440,1800,2000,2160
2520, 2880,3240,3600
*time points,  name=timepts2,generate
0,1e-6,1e-6
10,3600,10
*INTEGRATED OUTPUT SECTION,NAME=bvsurf,SURFACE=bvsurf
**************************************************************
**
*AMPLITUDE, NAME=AMP_CONST
**-------TIME,------VALUE,
     0.000e+0,      1.000,
     1.000e+8,      1.000,
**
*AMPLITUDE, NAME=AMP_CURRENT
**-------TIME,------VALUE,
     0.000e+0,      0.000,
     2.000e+0,      1.000,
     1.000e+8,      1.000,
**
*AMPLITUDE, NAME=ABQ_ECHEMPET_CUTOFFDETECTIONC, DEFINITION=USER, VARIABLES=0, PROPERTIES=7
** #01 ... Cutoff value (lower boundary)
** #02 ... cutoff value (upper boundary)
** #03 ... [optional] ignore the cutoff detection for first ## seconds.
** #04 ... Threshold charging voltage value to use smaller  dt
** #05 ... smaller DT value to be used when voltage above threshold charging value
** #06 ...  Threshold Discharging voltage value to use smaller  dt
** #07 ... smaller DT value to be used when voltage below threshold Discharging value
**-----LowerBound,-----UpperBound,--recur
3.0, 4.35, 0.075, 4.34,5,2.99,5
**
*RESTART,WRITE,FREQ=9999
**
*STEP, NAME=EQUILBRIUM, INC=250000000, UNSYMM=YES
*COUPLED THERMAL-ELECTROCHEMICAL,steady state
1e-6,  1e-6,  1.0e-8, 10
**
*multiphysics load, type=surface, definition=Butler-Volmer
 bvsurf, qs,  ,  "EChemPET_loadTable_LiMetalInterf"
**
*MONITOR, NODE=SENSOR, DOF=9
**
*BOUNDARY, OP=NEW
**NSET-----------,-DOF1,-DOF2,------VALUE,
  N_GROUND      ,    9,    9,        0.0,
**
*DSECURRENT, OP=NEW
**SURFACE--------,---TYPE,------VALUE,
  LOAD ,               CS,       0.0
**
*BOUNDARY, OP=NEW
**NSET-----------,-DOF1,-DOF2,------VALUE,
  NALL      ,    11,    11,        298.15
  N_CATHODE,33,33,1000 
**
*OUTPUT, FIELD, freq=1
*node output
  epot, epote, nnce, nt, recur, rfl, rfle
  recure, rflce
*element output
hfl, mfle, ecd, ecde, conce, elecpote, elecpot, TEMP,
CSURFAVG, ECDBV, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5,
CSURF_1 , OCP_1, CAVG_1, ECDBV_1, OVERPOT_1, ECHEMQ1_1, ECHEMQ2_1,
echemqs1,echemqs2,echemqs
**
*OUTPUT, HISTORY, FREQUENCY=1
*NODE OUTPUT, NSET=N_ANODE
epot, epote, nnce, nt, recur, rfl, rfle
recure, rflce
*NODE OUTPUT, NSET=N_CATHODE
epot, epote, nnce, nt, recur, rfl, rfle
recure, rflce
*NODE OUTPUT, NSET=N_SEPARATOR
epot, epote, nnce, nt, recur, rfl, rfle
recure, rflce
**
*ELEMENT OUTPUT, ELSET=EL_ANODE
ECD,   hfl, mfle, ecde, conce, elecpote, elecpot, TEMP
CSURFAVG, ECDBV, ECHEMQ1, ECHEMQ2, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5, CSURF_1, OCP_1, ECDBV_1, OVERPOT_1, ECHEMQ2_1
echemqs1,echemqs2,echemqs
*ELEMENT OUTPUT, ELSET=EL_CATHODE
ECD,   hfl, mfle, ecde, conce, elecpote, elecpot, TEMP
CSURFAVG, ECDBV, ECHEMQ1, ECHEMQ2, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5, CSURF_1, OCP_1, ECDBV_1, OVERPOT_1, ECHEMQ2_1
** echemqs1,echemqs2,echemqs here just to test no errors
echemqs1,echemqs2,echemqs
*ELEMENT OUTPUT, ELSET=EL_SEPARATOR
ECD,   hfl, mfle, ecde, conce, elecpote, elecpot, TEMP
CSURFAVG, ECDBV, ECHEMQ1, ECHEMQ2, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5, CSURF_1, OCP_1, ECDBV_1, OVERPOT_1, ECHEMQ2_1
*END STEP
**** -----------------------------------------------------------------------------------------------------------------------
**** -----------------------------------------------------------------------------------------------------------------------
*STEP, NAME=charge, INC=250000000, UNSYMM=YES
*COUPLED THERMAL-ELECTROCHEMICAL
1e-6,  1.0e7,  1.0e-8, 10
**
*multiphysics load, type=surface, definition=Butler-Volmer
 bvsurf, qs,  ,  "EChemPET_loadTable_LiMetalInterf"
**
*MONITOR, NODE=SENSOR, DOF=9
**
*BOUNDARY, OP=NEW, AMPLITUDE=ABQ_ECHEMPET_CUTOFFDETECTIONC
**NSET-----------,-DOF1,-DOF2,------VALUE,
  N_GROUND      ,    9,    9,        0.0,
**
*DSECURRENT, OP=NEW, AMPLITUDE=AMP_CURRENT
**SURFACE--------,---TYPE,------VALUE,
**LOAD ,               CS, 18.2003494467094
LOAD ,               CS, 35.8
**
*BOUNDARY, OP=NEW
**NSET-----------,-DOF1,-DOF2,------VALUE,
  NALL      ,    11,    11,        298.15
**
*OUTPUT, HISTORY, FREQUENCY=1, SENSOR, NAME=VOLTAGECUTOFF
*NODE OUTPUT, NSET=SENSOR
EPOT
**
**
***OUTPUT, FIELD, freq=10
*OUTPUT,  Field,time points=timepts, TIME MARKS=YES
*node output
  epot, epote, nnce, nt, recur, rfl, rfle
  recure, rflce
*element output
hfl, mfle, ecd, ecde, conce, elecpote, elecpot, TEMP,
CSURFAVG, ECDBV, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5,
CSURF_1 , OCP_1, CAVG_1, ECDBV_1, OVERPOT_1, ECHEMQ1_1, ECHEMQ2_1
echemqs1,echemqs2,echemqs
**
*OUTPUT, HISTORY, time points=timepts2, TIME MARKS=YES
*INTEGRATED OUTPUT,SECTION=bvsurf
echemqsa1,echemqsa2,echemqsa
*NODE OUTPUT, NSET=SENSOR
EPOT, RECUR
*NODE OUTPUT, NSET=N_ANODE
epot, epote, nnce, nt, recur, rfl, rfle
recure, rflce
*NODE OUTPUT, NSET=N_CATHODE
epot, epote, nnce, nt, recur, rfl, rfle
recure, rflce
*NODE OUTPUT, NSET=N_SEPARATOR
epot, epote, nnce, nt, recur, rfl, rfle
recure, rflce
**
*ELEMENT OUTPUT, ELSET=EL_ANODE
ECD,   hfl, mfle, ecde, conce, elecpote, elecpot, TEMP
CSURFAVG, ECDBV, ECHEMQ1, ECHEMQ2, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5, CSURF_1, OCP_1, ECDBV_1, OVERPOT_1, ECHEMQ2_1
echemqs1,echemqs2,echemqs
*ELEMENT OUTPUT, ELSET=EL_CATHODE
ECD,   hfl, mfle, ecde, conce, elecpote, elecpot, TEMP
CSURFAVG, ECDBV, ECHEMQ1, ECHEMQ2, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5, CSURF_1, OCP_1, ECDBV_1, OVERPOT_1, ECHEMQ2_1
echemqs1,echemqs2,echemqs
*ELEMENT OUTPUT, ELSET=EL_SEPARATOR
ECD,   hfl, mfle, ecde, conce, elecpote, elecpot, TEMP
CSURFAVG, ECDBV, ECHEMQ1, ECHEMQ2, LOGGRAINJG, BINDERVF, FLUIDVF, ECHEMQ3, ECHEMQ4, ECHEMQ5, CSURF_1, OCP_1, ECDBV_1, OVERPOT_1, ECHEMQ2_1
*END STEP
**
**************************************************************
**