SEIGrowth

construction:Undocumented Class

The SEIGrowth has not been documented. The content listed below should be used as a starting point for documenting the class, which includes the typical automatic documentation associated with a MooseObject; however, what is contained is ultimately determined by what is necessary to make the documentation clear for users.

This object models the growth of solid electrolyte interphase (SEI).

Overview

Example Input File Syntax

Input Parameters

activation_energyThe activation energy for SEI growth
C++ Type:double
Controllable:No
Description:The activation energy for SEI growth
characteristic_thicknessThe characteristic thickness of the SEI
C++ Type:double
Controllable:No
Description:The characteristic thickness of the SEI
charge_transfer_mass_fluxThe charge transfer mass flux
C++ Type:MaterialPropertyName
Controllable:No
Description:The charge transfer mass flux
correctionThe correction coefficient depending on interphase geometry, porosity, etc.
C++ Type:MaterialPropertyName
Controllable:No
Description:The correction coefficient depending on interphase geometry, porosity, etc.
ideal_gas_constantThe ideal gas constant
C++ Type:double
Controllable:No
Description:The ideal gas constant
initial_thicknessThe initial thickness
C++ Type:MaterialPropertyName
Controllable:No
Description:The initial thickness
molar_volumeMolar volume of the interphase
C++ Type:double
Controllable:No
Description:Molar volume of the interphase
temperatureThe temperature
C++ Type:std::vector<VariableName>
Controllable:No
Description:The temperature
thicknessGive the SEI layer thickness a name
C++ Type:MaterialPropertyName
Controllable:No
Description:Give the SEI layer thickness a name

Required Parameters

absolute_tolerance1e-11Absolute convergence tolerance for Newton iteration
Default:1e-11
C++ Type:double
Controllable:No
Description:Absolute convergence tolerance for Newton iteration
acceptable_multiplier10Factor applied to relative and absolute tolerance for acceptable convergence if iterations are no longer making progress
Default:10
C++ Type:double
Controllable:No
Description:Factor applied to relative and absolute tolerance for acceptable convergence if iterations are no longer making progress
automatic_differentiation_return_mappingFalseWhether to use automatic differentiation to compute the derivative.
Default:False
C++ Type:bool
Controllable:No
Description:Whether to use automatic differentiation to compute the derivative.
blockThe list of blocks (ids or names) that this object will be applied
C++ Type:std::vector<SubdomainName>
Controllable:No
Description:The list of blocks (ids or names) that this object will be applied
boundaryThe list of boundaries (ids or names) from the mesh where this object applies
C++ Type:std::vector<BoundaryName>
Controllable:No
Description:The list of boundaries (ids or names) from the mesh where this object applies
computeTrueWhen false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the MaterialBase via MaterialBasePropertyInterface::getMaterialBase(). Non-computed MaterialBases are not sorted for dependencies.
Default:True
C++ Type:bool
Controllable:No
Description:When false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the MaterialBase via MaterialBasePropertyInterface::getMaterialBase(). Non-computed MaterialBases are not sorted for dependencies.
declare_suffixAn optional suffix parameter that can be appended to any declared properties. The suffix will be prepended with a '_' character.
C++ Type:MaterialPropertyName
Controllable:No
Description:An optional suffix parameter that can be appended to any declared properties. The suffix will be prepended with a '_' character.
prop_getter_suffixAn optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
C++ Type:MaterialPropertyName
Controllable:No
Description:An optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
relative_tolerance1e-08Relative convergence tolerance for Newton iteration
Default:1e-08
C++ Type:double
Controllable:No
Description:Relative convergence tolerance for Newton iteration

Optional Parameters

control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector<std::string>
Controllable:No
Description:Adds user-defined labels for accessing object parameters via control logic.
enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Controllable:Yes
Description:Set the enabled status of the MooseObject.
implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Controllable:No
Description:Determines whether this object is calculated using an implicit or explicit form
seed0The seed for the master random number generator
Default:0
C++ Type:unsigned int
Controllable:No
Description:The seed for the master random number generator
use_displaced_meshFalseWhether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.
Default:False
C++ Type:bool
Controllable:No
Description:Whether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.

Advanced Parameters

internal_solve_full_iteration_historyFalseSet true to output full internal Newton iteration history at times determined by `internal_solve_output_on`. If false, only a summary is output.
Default:False
C++ Type:bool
Controllable:No
Description:Set true to output full internal Newton iteration history at times determined by `internal_solve_output_on`. If false, only a summary is output.
internal_solve_output_onon_errorWhen to output internal Newton solve information
Default:on_error
C++ Type:MooseEnum
Options:never, on_error, always
Controllable:No
Description:When to output internal Newton solve information

Debug Parameters

output_propertiesList of material properties, from this material, to output (outputs must also be defined to an output type)
C++ Type:std::vector<std::string>
Controllable:No
Description:List of material properties, from this material, to output (outputs must also be defined to an output type)
outputsnone Vector of output names where you would like to restrict the output of variables(s) associated with this object
Default:none
C++ Type:std::vector<OutputName>
Controllable:No
Description:Vector of output names where you would like to restrict the output of variables(s) associated with this object

Outputs Parameters

Input Files

(examples/degradation/base.i)

(examples/degradation/base.i)

I = 5e-4 #mA
width = 0.03 #mm
in = '${fparse -I/width}'
t0 = '${fparse -1e-2/in}'
dt = '${fparse t0/50}'

sigma_a = 1e0 #mS/mm
sigma_e = 1e-1 #mS/mm
sigma_c = 1e-2 #mS/mm

l0 = 0
l1 = 0.04
l2 = 0.07
l3 = 0.12

cmin = 1e-4 #mmol/mm^3
cmax = 1e-3 #mmol/mm^3
D_a = 1e-3 #mm^2/s
D_e = 1e-4 #mm^2/s
D_c = 5e-5 #mm^2/s
mu0 = 1e3

h0 = 1e-9
hc = 1e-3
Omega_sei = 100
A_sei = 0.8
Q_sei = 5e3
rho0_sei = 5e2

R = 8.3145 #mJ/mmol/K
T0 = 300 #K
F = 96485 #mC/mmol

i0_a = 1e-4 #mA/mm^2
i0_c = 1e-4 #mA/mm^2

E_c = 1e5
E_e = 1e4
E_a = 2e5
nu_c = 0.3
nu_e = 0.25
nu_a = 0.3

Ei = 1e7
Gi = 5e6
Acr = 1e-5
Qcr = 4e3
ncr = 5
Tn0 = 10
Gc = 2.06e-5

u_penalty = 1e8

Omega = 60
beta = 1e-3
CTE = 1e-5

[GlobalParams]
  energy_densities = 'dot(psi_m) dot(psi_c) q zeta'
  displacements = 'disp_x disp_y'
  deformation_gradient = F
  mechanical_deformation_gradient = Fm
  eigen_deformation_gradient = Fg
  swelling_deformation_gradient = Fs
  thermal_deformation_gradient = Ft
[]

[Mesh]
  [battery]
    type = GeneratedMeshGenerator
    dim = 2
    xmin = ${l0}
    xmax = ${l3}
    ymin = 0
    ymax = ${width}
    nx = 60
    ny = 1
  []
  [anode]
    type = SubdomainBoundingBoxGenerator
    input = battery
    block_id = 1
    block_name = anode
    bottom_left = '${l0} 0 0'
    top_right = '${l1} ${width} 0'
  []
  [elyte]
    type = SubdomainBoundingBoxGenerator
    input = anode
    block_id = 2
    block_name = elyte
    bottom_left = '${l1} 0 0'
    top_right = '${l2} ${width} 0'
  []
  [cathode]
    type = SubdomainBoundingBoxGenerator
    input = elyte
    block_id = 3
    block_name = cathode
    bottom_left = '${l2} 0 0'
    top_right = '${l3} ${width} 0'
  []
  [interfaces]
    type = BreakMeshByBlockGenerator
    input = cathode
    add_interface_on_two_sides = true
    split_interface = true
  []
  use_displaced_mesh = false
[]

[Variables]
  [Phi]
  []
  [c]
  []
  [disp_x]
  []
  [disp_y]
  []
[]

[AuxVariables]
  [c_ref]
  []
  [Phi0]
  []
  [T]
    initial_condition = ${T0}
  []
  [T_ref]
    initial_condition = ${T0}
  []
[]

[ICs]
  [c_ref_min]
    type = ConstantIC
    variable = c_ref
    value = ${cmin}
    block = 'anode'
  []
  [c_ref_mid]
    type = ConstantIC
    variable = c_ref
    value = '${fparse (cmax+cmin)/2}'
    block = 'elyte'
  []
  [c_ref_max]
    type = ConstantIC
    variable = c_ref
    value = ${cmax}
    block = 'cathode'
  []
[]

[AuxKernels]
  [Phi0]
    type = ParsedAux
    variable = Phi0
    expression = 'Phi'
    coupled_variables = 'Phi'
    execute_on = 'INITIAL'
  []
[]

[Kernels]
  # Charge balance
  [charge_balance]
    type = RankOneDivergence
    variable = Phi
    vector = i
  []
  # Mass balance
  [mass_balance_1]
    type = TimeDerivative
    variable = c
  []
  [mass_balance_2]
    type = RankOneDivergence
    variable = c
    vector = j
  []
  # Momentum balance
  [momentum_balance_x]
    type = RankTwoDivergence
    variable = disp_x
    component = 0
    tensor = pk1
    factor = -1
  []
  [momentum_balance_y]
    type = RankTwoDivergence
    variable = disp_y
    component = 1
    tensor = pk1
    factor = -1
  []
[]

[Modules]
  [TensorMechanics]
    [CohesiveZoneMaster]
      [interface]
        boundary = 'anode_elyte'
        strain = SMALL
        use_automatic_differentiation = true
      []
    []
  []
[]

[InterfaceKernels]
  [negative_current]
    type = MaterialInterfaceNeumannBC
    variable = Phi
    neighbor_var = Phi
    prop = ie
    factor = -1
    boundary = 'cathode_elyte'
  []
  [positive_current]
    type = MaterialInterfaceNeumannBC
    variable = Phi
    neighbor_var = Phi
    prop = ie
    boundary = 'anode_elyte'
  []
  [negative_mass]
    type = MaterialInterfaceNeumannBC
    variable = c
    neighbor_var = c
    prop = je
    factor = -1
    boundary = 'cathode_elyte'
  []
  [positive_mass]
    type = MaterialInterfaceNeumannBC
    variable = c
    neighbor_var = c
    prop = je
    boundary = 'anode_elyte'
  []
  [continuity_disp_x]
    type = InterfaceContinuity
    variable = disp_x
    neighbor_var = disp_x
    penalty = ${u_penalty}
    boundary = 'cathode_elyte'
  []
  [continuity_disp_y]
    type = InterfaceContinuity
    variable = disp_y
    neighbor_var = disp_y
    penalty = ${u_penalty}
    boundary = 'cathode_elyte'
  []
[]

[BCs]
  [pull_x]
    type = NeumannBC
    variable = disp_x
    value = 1
    boundary = 'right'
  []
  [fix_x]
    type = DirichletBC
    variable = disp_x
    value = 0
    boundary = 'left'
  []
  [fix_y]
    type = DirichletBC
    variable = disp_y
    value = 0
    boundary = 'bottom'
  []
[]

[Functions]
  [in]
    type = PiecewiseLinear
    x = '0 ${t0}'
    y = '0 ${in}'
  []
  [in_discharging]
    type = PiecewiseLinear
    x = '0 ${t0}'
    y = '0 ${fparse -in}'
  []
[]

[Materials]
  # Electrodynamics
  [conductivity]
    type = ADPiecewiseConstantByBlockMaterial
    prop_name = 'sigma'
    subdomain_to_prop_value = 'anode ${sigma_a} elyte ${sigma_e} cathode ${sigma_c}'
  []
  [charge_transport]
    type = BulkChargeTransport
    electrical_energy_density = q
    electric_potential = Phi
    electric_conductivity = sigma
    temperature = T
  []
  [current_density]
    type = CurrentDensity
    current_density = i
    electric_potential = Phi
  []

  # Chemical reactions
  [diffusivity]
    type = ADPiecewiseConstantByBlockMaterial
    prop_name = 'D'
    subdomain_to_prop_value = 'anode ${D_a} elyte ${D_e} cathode ${D_c}'
  []
  [mobility]
    type = ADParsedMaterial
    property_name = M
    coupled_variables = 'c_ref T_ref'
    material_property_names = 'D'
    expression = 'D*c_ref/${R}/T_ref'
  []
  [chemical_energy]
    type = EntropicChemicalEnergyDensity
    chemical_energy_density = psi_c
    concentration = c
    ideal_gas_constant = ${R}
    temperature = T
    reference_concentration = c_ref
    reference_chemical_potential = ${mu0}
  []
  [chemical_potential]
    type = ChemicalPotential
    chemical_potential = mu
    concentration = c
  []
  [diffusion]
    type = MassDiffusion
    dual_chemical_energy_density = zeta
    chemical_potential = mu
    mobility = M
  []
  [mass_flux]
    type = MassFlux
    mass_flux = j
    chemical_potential = mu
  []

  # Redox
  [OCP_anode_graphite]
    type = ADParsedMaterial
    f_name = U
    function = 'x:=c/${cmax}; (2.77e-4*x^2-0.0069*x+0.0785)'
    args = c
    material_property_names = 'ramp'
    boundary = 'anode_elyte'
  []
  [OCP_cathode_NMC111]
    type = ADParsedMaterial
    f_name = U
    function = 'x:=c/${cmax}; (6.0826-6.9922*x+7.1062*x^2-5.4549e-5*exp(124.23*x-114.2593)-2.5947*x^3)*ramp'
    args = c
    material_property_names = 'ramp'
    boundary = 'cathode_elyte'
  []
  [charge_transfer_anode_elyte]
    type = ChargeTransferReaction
    charge_transfer_current_density = ie
    charge_transfer_mass_flux = je
    charge_transfer_heat_flux = he
    electric_potential = Phi
    neighbor_electric_potential = Phi
    charge_transfer_coefficient = 0.5
    exchange_current_density = ${i0_a}
    faraday_constant = ${F}
    ideal_gas_constant = ${R}
    temperature = T
    open_circuit_potential = U
    interface_resistance = rho_sei
    degradation = g
    boundary = 'anode_elyte'
  []
  [charge_transfer_cathode_elyte]
    type = ChargeTransferReaction
    charge_transfer_current_density = ie
    charge_transfer_mass_flux = je
    charge_transfer_heat_flux = he
    electric_potential = Phi
    neighbor_electric_potential = Phi
    charge_transfer_coefficient = 0.5
    exchange_current_density = ${i0_c}
    faraday_constant = ${F}
    ideal_gas_constant = ${R}
    temperature = T
    open_circuit_potential = U
    boundary = 'cathode_elyte'
  []
  [SEI]
    type = SEIGrowth
    thickness = h_sei
    initial_thickness = ${h0}
    charge_transfer_mass_flux = je
    characteristic_thickness = ${hc}
    molar_volume = ${Omega_sei}
    correction = ${A_sei}
    activation_energy = ${Q_sei}
    ideal_gas_constant = ${R}
    temperature = T
    boundary = 'anode_elyte'
  []
  [SEI_resistance]
    type = ADParsedMaterial
    property_name = rho_sei
    expression = '${rho0_sei} * h_sei'
    material_property_names = 'h_sei'
    boundary = 'anode_elyte'
  []

  # Mechanical
  [stiffness_c]
    type = ADGenericConstantMaterial
    prop_names = 'lambda G'
    prop_values = '${fparse E_c*nu_c/(1+nu_c)/(1-2*nu_c)} ${fparse E_c/2/(1+nu_c)}'
    block = cathode
  []
  [stiffness_e]
    type = ADGenericConstantMaterial
    prop_names = 'lambda G'
    prop_values = '${fparse E_e*nu_e/(1+nu_e)/(1-2*nu_e)} ${fparse E_e/2/(1+nu_e)}'
    block = elyte
  []
  [stiffness_a]
    type = ADGenericConstantMaterial
    prop_names = 'lambda G'
    prop_values = '${fparse E_a*nu_a/(1+nu_a)/(1-2*nu_a)} ${fparse E_a/2/(1+nu_a)}'
    block = anode
  []
  [swelling_coefficient]
    type = ADGenericConstantMaterial
    prop_names = 'beta'
    prop_values = '${beta}'
  []
  [swelling]
    type = SwellingDeformationGradient
    concentration = c
    reference_concentration = c_ref
    molar_volume = ${Omega}
    swelling_coefficient = beta
  []
  [thermal_expansion]
    type = ThermalDeformationGradient
    temperature = T
    reference_temperature = T_ref
    CTE = ${CTE}
  []
  [defgrad]
    type = MechanicalDeformationGradient
  []
  [neohookean]
    type = NeoHookeanSolid
    elastic_energy_density = psi_m
    lambda = lambda
    shear_modulus = G
    concentration = c
    temperature = T
  []
  [pk1]
    type = FirstPiolaKirchhoffStress
    first_piola_kirchhoff_stress = pk1
    deformation_gradient_rate = dot(F)
  []
  [traction]
    type = InterfaceTractionWithCreepDegradation
    normal_stiffness = ${Ei}
    tangential_stiffness = ${Gi}
    normal_traction = Tn
    activation_energy = ${Qcr}
    ideal_gas_constant = ${R}
    temperature = T
    damage = Di
    degradation = g
    creep_displacement_jump = juc
    fracture_driving_energy = psi_f
    energy_release_rate = ${Gc}
    reference_normal_traction = ${Tn0}
    creep_coefficient = ${Acr}
    creep_exponent = ${ncr}
    residual_stiffness = 1e-4
    boundary = 'anode_elyte'
  []
[]

[Postprocessors]
  [V_l]
    type = SideAverageValue
    variable = Phi
    boundary = left
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [V_r]
    type = SideAverageValue
    variable = Phi
    boundary = right
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [V]
    type = ParsedPostprocessor
    function = 'V_r - V_l'
    pp_names = 'V_l V_r'
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [I]
    type = ADSideIntegralMaterialProperty
    property = i
    component = 0
    boundary = right
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [dt]
    type = TimestepSize
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [dC]
    type = ParsedPostprocessor
    function = '-dt*I'
    pp_names = 'dt I'
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [C]
    type = CumulativeValuePostprocessor
    postprocessor = dC
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [c_a_max]
    type = NodalExtremeValue
    variable = c
    value_type = max
    block = anode
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [c_c_min]
    type = NodalExtremeValue
    variable = c
    value_type = min
    block = cathode
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [c_a_min]
    type = NodalExtremeValue
    variable = c
    value_type = min
    block = anode
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [c_c_max]
    type = NodalExtremeValue
    variable = c
    value_type = max
    block = cathode
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [mass_a]
    type = ElementIntegralVariablePostprocessor
    variable = c
    block = anode
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [mass_e]
    type = ElementIntegralVariablePostprocessor
    variable = c
    block = elyte
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [mass_c]
    type = ElementIntegralVariablePostprocessor
    variable = c
    block = cathode
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [SEI_thickness]
    type = ADSideAverageMaterialProperty
    property = h_sei
    boundary = 'anode_elyte'
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [Di]
    type = ADSideAverageMaterialProperty
    property = Di
    boundary = 'anode_elyte'
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [psi_f]
    type = ADSideAverageMaterialProperty
    property = psi_f
    boundary = 'anode_elyte'
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [dV]
    type = ChangeOverTimePostprocessor
    postprocessor = V
    outputs = none
    execute_on = 'INITIAL TIMESTEP_END'
  []
  [target_V_dt]
    type = ParsedPostprocessor
    function = 'if(abs(dV)>0.01,${dt},1e6)'
    pp_names = 'dV'
    outputs = none
    execute_on = 'TIMESTEP_END'
  []
[]

Overview
Example Input File Syntax
Input Parameters
Input Files