diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/centroid_block_demo_thermoelectical.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/centroid_block_demo_thermoelectical.i index ecae83d8..649dadf3 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/centroid_block_demo_thermoelectical.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/centroid_block_demo_thermoelectical.i @@ -1,4 +1,4 @@ -initial_temperature=1350 +initial_temperature = 1350 [Mesh] type = GeneratedMesh @@ -17,7 +17,6 @@ initial_temperature=1350 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -44,7 +43,8 @@ initial_temperature=1350 [sigma_aeh] initial_condition = 2.0e-10 #in units eV/((nV)^2-s-nm) [] - [microapp_potential] #converted to microapp electronVolts units + [microapp_potential] + #converted to microapp electronVolts units [] [E_x] order = FIRST @@ -74,13 +74,13 @@ initial_temperature=1350 density_name = yttria_density extra_vector_tags = 'ref' [] - [./HeatSource_JouleHeating] + [HeatSource_JouleHeating] type = ADJouleHeatingSource variable = temperature elec = yttria_potential electrical_conductivity = yttria_electrical_conductivity extra_vector_tags = 'ref' - [../] + [] [electric_yttria] type = ADMatDiffusion variable = yttria_potential @@ -136,7 +136,7 @@ initial_temperature=1350 type = FunctionDirichletBC boundary = left variable = temperature - function = '${initial_temperature} + 50.0/60.0*t'#'300.0 + 100.0/60.*t' # + 0.50*t/60.0' #'3 + 100.0/60.*t' #stand-in for the 100C/min heating rate + function = '${initial_temperature} + 50.0/60.0*t' #'300.0 + 100.0/60.*t' # + 0.50*t/60.0' #'3 + 100.0/60.*t' #stand-in for the 100C/min heating rate [] [electric_top] type = FunctionDirichletBC @@ -170,8 +170,8 @@ initial_temperature=1350 expression = 'specific_heat_capacity_va' #in J/(K-kg) output_properties = yttria_specific_heat_capacity outputs = 'csv exodus' - [../] - [./yttria_density] + [] + [yttria_density] type = ADParsedMaterial property_name = 'yttria_density' coupled_variables = 'density_va' @@ -267,7 +267,7 @@ initial_temperature=1350 [MultiApps] [micro] type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs max_procs_per_app = 1 #paolo recommends starting here app_type = MalamuteApp input_files = micro_yttria_thermoelectrical_demo.i @@ -305,7 +305,7 @@ initial_temperature=1350 variable = temperature_in [] [temperaturepp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = temperature postprocessor = center_temperature @@ -319,20 +319,19 @@ initial_temperature=1350 postprocessor = sigma_AEH_average [] [micro_potential_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = microapp_potential postprocessor = potential_in [] [micro_current_density_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = microapp_current_density postprocessor = current_density_in [] [] - [Outputs] csv = true exodus = true diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/micro_yttria_thermoelectrical_demo.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/micro_yttria_thermoelectrical_demo.i index 244024f4..5f9a5257 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/micro_yttria_thermoelectrical_demo.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/centroid_version/micro_yttria_thermoelectrical_demo.i @@ -1,6 +1,6 @@ -initial_temperature=1350 -initial_voltage=5e7 #from the engineering scale at the specific element -initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma +initial_temperature = 1350 +initial_voltage = 5e7 #from the engineering scale at the specific element +initial_current_density = -5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [Mesh] [gen] @@ -42,21 +42,26 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [PolycrystalVariables] [] - [Tx_AEH] #Temperature used for the x-component of the AEH solve + [Tx_AEH] + #Temperature used for the x-component of the AEH solve initial_condition = ${initial_temperature} # should match the initial auxvariable value # scaling = 1.0e-4 #Scales residual to improve convergence [] - [Ty_AEH] #Temperature used for the y-component of the AEH solve + [Ty_AEH] + #Temperature used for the y-component of the AEH solve initial_condition = ${initial_temperature} # scaling = 1.0e-4 #Scales residual to improve convergence [] - [V] ##defined in nVolts + [V] + ##defined in nVolts [] - [Vx_AEH] # Voltage potential used for the x-component of the AEH solve + [Vx_AEH] + # Voltage potential used for the x-component of the AEH solve initial_condition = ${initial_voltage} # should match the initial auxvariable value [] - [Vy_AEH] #Voltage potential used for the y-component of the AEH solve + [Vy_AEH] + #Voltage potential used for the y-component of the AEH solve initial_condition = ${initial_voltage} [] [] @@ -84,7 +89,7 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [ICs] - [./phi_IC] + [phi_IC] type = SpecifiedSmoothCircleIC variable = phi x_positions = '20 20 60 60' @@ -93,8 +98,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radii = '20 20 20 20' invalue = 0 outvalue = 1 - [../] - [./gr0_IC] + [] + [gr0_IC] type = SmoothCircleIC variable = gr0 x1 = 20 @@ -103,8 +108,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr1_IC] + [] + [gr1_IC] type = SmoothCircleIC variable = gr1 x1 = 20 @@ -113,8 +118,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr2_IC] + [] + [gr2_IC] type = SmoothCircleIC variable = gr2 x1 = 60 @@ -123,8 +128,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr3_IC] + [] + [gr3_IC] type = SmoothCircleIC variable = gr3 x1 = 60 @@ -133,7 +138,7 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] + [] [] [BCs] @@ -176,25 +181,29 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma variable = Vy_AEH [] [] - [fix_AEH_Tx] #Fix Tx_AEH at a single point + [fix_AEH_Tx] + #Fix Tx_AEH at a single point type = PostprocessorDirichletBC variable = Tx_AEH postprocessor = center_temperature boundary = 1000 [] - [fix_AEH_Ty] #Fix Ty_AEH at a single point + [fix_AEH_Ty] + #Fix Ty_AEH at a single point type = PostprocessorDirichletBC variable = Ty_AEH postprocessor = center_temperature boundary = 1000 [] - [fix_AEH_Vx] #Fix Tx_AEH at a single point + [fix_AEH_Vx] + #Fix Tx_AEH at a single point type = PostprocessorDirichletBC variable = Vx_AEH postprocessor = potential_in boundary = 1000 [] - [fix_AEH_Vy] #Fix Ty_AEH at a single point + [fix_AEH_Vy] + #Fix Ty_AEH at a single point type = PostprocessorDirichletBC variable = Vy_AEH postprocessor = potential_in @@ -202,25 +211,24 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [] - [Materials] # Free energy coefficients for parabolic curves - [./ks] + [ks] type = ParsedMaterial property_name = ks coupled_variables = 'temperature_in' constant_names = 'a b' constant_expressions = '-0.0017 140.44' expression = 'a*temperature_in + b' - [../] - [./kv] + [] + [kv] type = ParsedMaterial property_name = kv material_property_names = 'ks' expression = '10*ks' - [../] + [] # Diffusivity and mobilities - [./chiD] + [chiD] type = GrandPotentialTensorMaterial f_name = chiD solid_mobility = L @@ -236,9 +244,9 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma bulkindex = 1 gbindex = 1e6 surfindex = 1e9 - [../] + [] # Everything else - [./cv_eq] + [cv_eq] type = DerivativeParsedMaterial property_name = cv_eq coupled_variables = 'gr0 gr1 gr2 gr3 temperature_in' @@ -247,8 +255,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma derivative_order = 2 expression = 'c_B:=exp(-Ef/kB/temperature_in); bnds:=gr0^2 + gr1^2 + gr2^2 + gr3^2; c_B + 4.0 * c_GB * (1.0 - bnds)^2' - [../] - [./sintering] + [] + [sintering] type = GrandPotentialSinteringMaterial chemical_potential = w void_op = phi @@ -259,10 +267,10 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma solid_energy_coefficient = ks solid_energy_model = PARABOLIC equilibrium_vacancy_concentration = cv_eq - [../] + [] # Concentration is only meant for output - [./c] + [c] type = ParsedMaterial property_name = c material_property_names = 'hs rhos hv rhov' @@ -270,8 +278,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma constant_expressions = '0.0774' expression = 'Va*(hs*rhos + hv*rhov)' outputs = exodus - [../] - [./f_bulk] + [] + [f_bulk] type = ParsedMaterial property_name = f_bulk coupled_variables = 'phi gr0 gr1 gr2 gr3' @@ -281,21 +289,21 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma + gamma*(phi^2*(gr0^2+gr1^2+gr2^2+gr3^2) + gr0^2*(gr1^2+gr2^2+gr3^2) + gr1^2*(gr2^2 + gr3^2) + gr2^2*gr3^2) + 0.25)' outputs = exodus - [../] - [./f_switch] + [] + [f_switch] type = ParsedMaterial property_name = f_switch coupled_variables = 'w' material_property_names = 'chi' expression = '0.5*w^2*chi' outputs = exodus - [../] - [./f0] + [] + [f0] type = ParsedMaterial property_name = f0 material_property_names = 'f_bulk f_switch' expression = 'f_bulk + f_switch' - [../] + [] [electrical_conductivity] type = ADDerivativeParsedMaterial @@ -317,8 +325,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ParsedMaterial property_name = thermal_conductivity coupled_variables = 'phi temperature_in' - constant_names = 'prefactor_void prefactor_solid' - constant_expressions = '0.025 3214.06' #in W/(m-K) #solid value from Larry's curve fitting, data from Klein and Croft, JAP, v. 38, p. 1603 and UC report "For Computer Heat Conduction Calculations - A compilation of thermal properties data" by A.L. Edwards, UCRL-50589 (1969) + constant_names = 'prefactor_void prefactor_solid' + constant_expressions = '0.025 3214.06' #in W/(m-K) #solid value from Larry's curve fitting, data from Klein and Croft, JAP, v. 38, p. 1603 and UC report "For Computer Heat Conduction Calculations - A compilation of thermal properties data" by A.L. Edwards, UCRL-50589 (1969) expression = '(phi * prefactor_void + (1-phi) * prefactor_solid) / (temperature_in - 147.73)' outputs = exodus [] @@ -339,8 +347,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma property_name = specific_heat coupled_variables = 'phi' material_property_names = 'specific_heat_yttria' - constant_names = 'specific_heat_void' - constant_expressions = '1.005e3' #units are J/(K-kg) + constant_names = 'specific_heat_void' + constant_expressions = '1.005e3' #units are J/(K-kg) expression = 'phi * specific_heat_void + (1-phi) * specific_heat_yttria' outputs = exodus [] @@ -360,8 +368,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [Modules] - [./PhaseField] - [./GrandPotential] + [PhaseField] + [GrandPotential] switching_function_names = 'hv hs' anisotropic = 'true' @@ -380,26 +388,26 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma mobility_name_op = Lv kappa_op = kappa free_energies_op = 'omegav omegas' - [../] - [../] + [] + [] [] [Kernels] - [./barrier_phi] + [barrier_phi] type = ACBarrierFunction variable = phi v = 'gr0 gr1 gr2 gr3' gamma = gamma mob_name = Lv extra_vector_tags = 'ref' - [../] - [./kappa_phi] + [] + [kappa_phi] type = ACKappaFunction variable = phi mob_name = Lv kappa_name = kappa extra_vector_tags = 'ref' - [../] + [] [electric_yttria] type = ADMatDiffusion variable = V @@ -431,7 +439,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # args = 'phi' # [../] - [heat_x] #All other kernels are for AEH approach to calculate thermal cond. + [heat_x] + #All other kernels are for AEH approach to calculate thermal cond. type = HeatConduction variable = Tx_AEH diffusion_coefficient = thermal_conductivity @@ -458,7 +467,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma extra_vector_tags = 'ref' [] - [voltage_x] #The following four kernels are for AEH approach to calculate electrical cond. + [voltage_x] + #The following four kernels are for AEH approach to calculate electrical cond. type = HeatConduction variable = Vx_AEH diffusion_coefficient = reg_electrical_conductivity @@ -486,38 +496,37 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [] - [AuxKernels] - [./bnds_aux] + [bnds_aux] type = BndsCalcAux variable = bnds execute_on = 'initial timestep_end' - [../] - [./F_aux] + [] + [F_aux] type = TotalFreeEnergy variable = F_loc f_name = f0 interfacial_vars = 'phi gr0 gr1 gr2 gr3' kappa_names = 'kappa kappa kappa kappa kappa' - [../] - [./negative_V] + [] + [negative_V] type = ParsedAux variable = negative_V coupled_variables = V expression = '-V' - [../] - [./E_x] + [] + [E_x] type = VariableGradientComponent variable = E_x gradient_variable = negative_V component = x - [../] - [./E_y] + [] + [E_y] type = VariableGradientComponent variable = E_y gradient_variable = negative_V component = y - [../] + [] [] [Postprocessors] @@ -550,7 +559,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ElementAverageMaterialProperty mat_prop = density [] - [k_x_AEH] #Effective thermal conductivity in x-direction from AEH + [k_x_AEH] + #Effective thermal conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Tx_AEH Ty_AEH' row = 0 @@ -558,7 +568,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma execute_on = TIMESTEP_END # scale_factor = 1e6 #Scale due to length scale of problem [] - [k_y_AEH] #Effective thermal conductivity in x-direction from AEH + [k_y_AEH] + #Effective thermal conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Tx_AEH Ty_AEH' row = 1 @@ -576,7 +587,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ADElementAverageMaterialProperty mat_prop = electrical_conductivity [] - [sigma_x_AEH] #Effective electrical conductivity in x-direction from AEH + [sigma_x_AEH] + #Effective electrical conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Vx_AEH Vy_AEH' row = 0 @@ -585,7 +597,8 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma execute_on = TIMESTEP_END # scale_factor = 1e6 #Scale due to length scale of problem [] - [sigma_y_AEH] #Effective electrical conductivity in x-direction from AEH + [sigma_y_AEH] + #Effective electrical conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Vx_AEH Vy_AEH' row = 1 @@ -600,23 +613,23 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma pp_names = 'sigma_x_AEH sigma_y_AEH' [] - [./c_total] + [c_total] type = ElementIntegralMaterialProperty mat_prop = c outputs = csv - [../] - [./total_energy] + [] + [total_energy] type = ElementIntegralVariablePostprocessor variable = F_loc outputs = csv - [../] - [./void_tracker] + [] + [void_tracker] type = FeatureFloodCount execute_on = 'initial timestep_end' variable = phi threshold = 0.5 compute_var_to_feature_map = true - [../] + [] [rough_phi] type = ElementAverageValue variable = phi @@ -635,18 +648,18 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # [] [UserObjects] - [./terminator] + [terminator] type = Terminator expression = 'void_tracker = 1' execute_on = TIMESTEP_END - [../] + [] [] [Preconditioning] - [./SMP] + [SMP] type = SMP full = true - [../] + [] [] [Executioner] @@ -684,12 +697,12 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma dtmin = 1.0e-4 timestep_tolerance = 1e-8 # num_steps = 10 - [./TimeStepper] + [TimeStepper] type = IterationAdaptiveDT dt = 10.0 optimal_iterations = 8 iteration_window = 2 - [../] + [] # [./Adaptivity] # refine_fraction = 0.8 # coarsen_fraction = 0.2 @@ -702,5 +715,5 @@ initial_current_density=-5.0e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma perf_graph = true csv = true exodus = true -# checkpoint = true + # checkpoint = true [] diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/micro_yttria_thermoelectrical_aehproperties_refres.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/micro_yttria_thermoelectrical_aehproperties_refres.i index 6b1efd09..3671d14a 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/micro_yttria_thermoelectrical_aehproperties_refres.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/micro_yttria_thermoelectrical_aehproperties_refres.i @@ -1,6 +1,6 @@ -initial_temperature=1350 -initial_voltage=3.95e7 #from the engineering scale at the specific element -initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma +initial_temperature = 1350 +initial_voltage = 3.95e7 #from the engineering scale at the specific element +initial_current_density = -5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # lower_flux=1.0e-9 #roughly calculated from the original marmot example problem [Mesh] @@ -43,21 +43,26 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [PolycrystalVariables] [] - [Tx_AEH] #Temperature used for the x-component of the AEH solve + [Tx_AEH] + #Temperature used for the x-component of the AEH solve initial_condition = ${initial_temperature} # should match the initial auxvariable value # scaling = 1.0e-4 #Scales residual to improve convergence [] - [Ty_AEH] #Temperature used for the y-component of the AEH solve + [Ty_AEH] + #Temperature used for the y-component of the AEH solve initial_condition = ${initial_temperature} # scaling = 1.0e-4 #Scales residual to improve convergence [] - [V] ##defined in nVolts + [V] + ##defined in nVolts [] - [Vx_AEH] # Voltage potential used for the x-component of the AEH solve + [Vx_AEH] + # Voltage potential used for the x-component of the AEH solve initial_condition = ${initial_voltage} # should match the initial auxvariable value [] - [Vy_AEH] #Voltage potential used for the y-component of the AEH solve + [Vy_AEH] + #Voltage potential used for the y-component of the AEH solve initial_condition = ${initial_voltage} [] [] @@ -85,7 +90,7 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [ICs] - [./phi_IC] + [phi_IC] type = SpecifiedSmoothCircleIC variable = phi x_positions = '20 20 60 60' @@ -94,8 +99,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radii = '20 20 20 20' invalue = 0 outvalue = 1 - [../] - [./gr0_IC] + [] + [gr0_IC] type = SmoothCircleIC variable = gr0 x1 = 20 @@ -104,8 +109,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr1_IC] + [] + [gr1_IC] type = SmoothCircleIC variable = gr1 x1 = 20 @@ -114,8 +119,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr2_IC] + [] + [gr2_IC] type = SmoothCircleIC variable = gr2 x1 = 60 @@ -124,8 +129,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr3_IC] + [] + [gr3_IC] type = SmoothCircleIC variable = gr3 x1 = 60 @@ -134,7 +139,7 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] + [] [] [BCs] @@ -177,25 +182,29 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma variable = Vy_AEH [] [] - [fix_AEH_Tx] #Fix Tx_AEH at a single point + [fix_AEH_Tx] + #Fix Tx_AEH at a single point type = PostprocessorDirichletBC variable = Tx_AEH postprocessor = center_temperature boundary = 1000 [] - [fix_AEH_Ty] #Fix Ty_AEH at a single point + [fix_AEH_Ty] + #Fix Ty_AEH at a single point type = PostprocessorDirichletBC variable = Ty_AEH postprocessor = center_temperature boundary = 1000 [] - [fix_AEH_Vx] #Fix Tx_AEH at a single point + [fix_AEH_Vx] + #Fix Tx_AEH at a single point type = PostprocessorDirichletBC variable = Vx_AEH postprocessor = potential_in boundary = 1000 [] - [fix_AEH_Vy] #Fix Ty_AEH at a single point + [fix_AEH_Vy] + #Fix Ty_AEH at a single point type = PostprocessorDirichletBC variable = Vy_AEH postprocessor = potential_in @@ -203,25 +212,24 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [] - [Materials] # Free energy coefficients for parabolic curves - [./ks] + [ks] type = ParsedMaterial property_name = ks coupled_variables = 'temperature_in' constant_names = 'a b' constant_expressions = '-0.0017 140.44' expression = 'a*temperature_in + b' - [../] - [./kv] + [] + [kv] type = ParsedMaterial property_name = kv material_property_names = 'ks' expression = '10*ks' - [../] + [] # Diffusivity and mobilities - [./chiD] + [chiD] type = GrandPotentialTensorMaterial f_name = chiD solid_mobility = L @@ -237,9 +245,9 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma bulkindex = 1 gbindex = 1e6 surfindex = 1e9 - [../] + [] # Everything else - [./cv_eq] + [cv_eq] type = DerivativeParsedMaterial property_name = cv_eq coupled_variables = 'gr0 gr1 gr2 gr3 temperature_in' @@ -248,8 +256,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma derivative_order = 2 expression = 'c_B:=exp(-Ef/kB/temperature_in); bnds:=gr0^2 + gr1^2 + gr2^2 + gr3^2; c_B + 4.0 * c_GB * (1.0 - bnds)^2' - [../] - [./sintering] + [] + [sintering] type = GrandPotentialSinteringMaterial chemical_potential = w void_op = phi @@ -260,10 +268,10 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma solid_energy_coefficient = ks solid_energy_model = PARABOLIC equilibrium_vacancy_concentration = cv_eq - [../] + [] # Concentration is only meant for output - [./c] + [c] type = ParsedMaterial property_name = c material_property_names = 'hs rhos hv rhov' @@ -271,8 +279,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma constant_expressions = '0.0774' expression = 'Va*(hs*rhos + hv*rhov)' outputs = exodus - [../] - [./f_bulk] + [] + [f_bulk] type = ParsedMaterial property_name = f_bulk coupled_variables = 'phi gr0 gr1 gr2 gr3' @@ -282,21 +290,21 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma + gamma*(phi^2*(gr0^2+gr1^2+gr2^2+gr3^2) + gr0^2*(gr1^2+gr2^2+gr3^2) + gr1^2*(gr2^2 + gr3^2) + gr2^2*gr3^2) + 0.25)' outputs = exodus - [../] - [./f_switch] + [] + [f_switch] type = ParsedMaterial property_name = f_switch coupled_variables = 'w' material_property_names = 'chi' expression = '0.5*w^2*chi' outputs = exodus - [../] - [./f0] + [] + [f0] type = ParsedMaterial property_name = f0 material_property_names = 'f_bulk f_switch' expression = 'f_bulk + f_switch' - [../] + [] [electrical_conductivity] type = ADDerivativeParsedMaterial @@ -318,8 +326,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ParsedMaterial property_name = thermal_conductivity coupled_variables = 'phi temperature_in' - constant_names = 'prefactor_void prefactor_solid' - constant_expressions = '0.025 3214.06' #in W/(m-K) #solid value from Larry's curve fitting, data from Klein and Croft, JAP, v. 38, p. 1603 and UC report "For Computer Heat Conduction Calculations - A compilation of thermal properties data" by A.L. Edwards, UCRL-50589 (1969) + constant_names = 'prefactor_void prefactor_solid' + constant_expressions = '0.025 3214.06' #in W/(m-K) #solid value from Larry's curve fitting, data from Klein and Croft, JAP, v. 38, p. 1603 and UC report "For Computer Heat Conduction Calculations - A compilation of thermal properties data" by A.L. Edwards, UCRL-50589 (1969) expression = '(phi * prefactor_void + (1-phi) * prefactor_solid) / (temperature_in - 147.73)' outputs = exodus [] @@ -329,8 +337,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = DerivativeParsedMaterial property_name = density coupled_variables = 'phi' - constant_names = 'density_void density_solid' - constant_expressions = '1.25 5.01e3' #units are kg/m^3 + constant_names = 'density_void density_solid' + constant_expressions = '1.25 5.01e3' #units are kg/m^3 derivative_order = 2 expression = 'phi * density_void + (1-phi) * density_solid' outputs = exodus @@ -340,8 +348,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma property_name = specific_heat coupled_variables = 'phi' material_property_names = 'specific_heat_yttria' - constant_names = 'specific_heat_void' - constant_expressions = '1.005e3' #units are J/(K-kg) + constant_names = 'specific_heat_void' + constant_expressions = '1.005e3' #units are J/(K-kg) expression = 'phi * specific_heat_void + (1-phi) * specific_heat_yttria' outputs = exodus [] @@ -361,8 +369,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [Modules] - [./PhaseField] - [./GrandPotential] + [PhaseField] + [GrandPotential] switching_function_names = 'hv hs' anisotropic = 'true' @@ -381,26 +389,26 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma mobility_name_op = Lv kappa_op = kappa free_energies_op = 'omegav omegas' - [../] - [../] + [] + [] [] [Kernels] - [./barrier_phi] + [barrier_phi] type = ACBarrierFunction variable = phi v = 'gr0 gr1 gr2 gr3' gamma = gamma mob_name = Lv extra_vector_tags = 'ref' - [../] - [./kappa_phi] + [] + [kappa_phi] type = ACKappaFunction variable = phi mob_name = Lv kappa_name = kappa extra_vector_tags = 'ref' - [../] + [] [electric_yttria] type = ADMatDiffusion variable = V @@ -432,7 +440,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # args = 'phi' # [../] - [heat_x] #All other kernels are for AEH approach to calculate thermal cond. + [heat_x] + #All other kernels are for AEH approach to calculate thermal cond. type = HeatConduction variable = Tx_AEH diffusion_coefficient = thermal_conductivity @@ -459,7 +468,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma extra_vector_tags = 'ref' [] - [voltage_x] #The following four kernels are for AEH approach to calculate electrical cond. + [voltage_x] + #The following four kernels are for AEH approach to calculate electrical cond. type = HeatConduction variable = Vx_AEH diffusion_coefficient = reg_electrical_conductivity @@ -487,38 +497,37 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [] - [AuxKernels] - [./bnds_aux] + [bnds_aux] type = BndsCalcAux variable = bnds execute_on = 'initial timestep_end' - [../] - [./F_aux] + [] + [F_aux] type = TotalFreeEnergy variable = F_loc f_name = f0 interfacial_vars = 'phi gr0 gr1 gr2 gr3' kappa_names = 'kappa kappa kappa kappa kappa' - [../] - [./negative_V] + [] + [negative_V] type = ParsedAux variable = negative_V - coupled_variables = V + coupled_variables = V expression = '-V' - [../] - [./E_x] + [] + [E_x] type = VariableGradientComponent variable = E_x gradient_variable = negative_V component = x - [../] - [./E_y] + [] + [E_y] type = VariableGradientComponent variable = E_y gradient_variable = negative_V component = y - [../] + [] [] [Postprocessors] @@ -551,7 +560,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ElementAverageMaterialProperty mat_prop = density [] - [k_x_AEH] #Effective thermal conductivity in x-direction from AEH + [k_x_AEH] + #Effective thermal conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Tx_AEH Ty_AEH' row = 0 @@ -559,7 +569,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma execute_on = TIMESTEP_END # scale_factor = 1e6 #Scale due to length scale of problem [] - [k_y_AEH] #Effective thermal conductivity in x-direction from AEH + [k_y_AEH] + #Effective thermal conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Tx_AEH Ty_AEH' row = 1 @@ -577,7 +588,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ADElementAverageMaterialProperty mat_prop = electrical_conductivity [] - [sigma_x_AEH] #Effective electrical conductivity in x-direction from AEH + [sigma_x_AEH] + #Effective electrical conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Vx_AEH Vy_AEH' row = 0 @@ -586,7 +598,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma execute_on = TIMESTEP_END # scale_factor = 1e6 #Scale due to length scale of problem [] - [sigma_y_AEH] #Effective electrical conductivity in x-direction from AEH + [sigma_y_AEH] + #Effective electrical conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Vx_AEH Vy_AEH' row = 1 @@ -601,23 +614,23 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma pp_names = 'sigma_x_AEH sigma_y_AEH' [] - [./c_total] + [c_total] type = ElementIntegralMaterialProperty mat_prop = c outputs = csv - [../] - [./total_energy] + [] + [total_energy] type = ElementIntegralVariablePostprocessor variable = F_loc outputs = csv - [../] - [./void_tracker] + [] + [void_tracker] type = FeatureFloodCount execute_on = 'initial timestep_end' variable = phi threshold = 0.5 compute_var_to_feature_map = true - [../] + [] [rough_phi] type = ElementAverageValue variable = phi @@ -636,18 +649,18 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # [] [UserObjects] - [./terminator] + [terminator] type = Terminator expression = 'void_tracker = 1' execute_on = TIMESTEP_END - [../] + [] [] [Preconditioning] - [./SMP] + [SMP] type = SMP full = true - [../] + [] [] [Executioner] @@ -685,12 +698,12 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma dtmin = 1.0e-4 timestep_tolerance = 1e-8 # num_steps = 10 - [./TimeStepper] + [TimeStepper] type = IterationAdaptiveDT dt = 10.0 optimal_iterations = 8 iteration_window = 2 - [../] + [] # [./Adaptivity] # refine_fraction = 0.8 # coarsen_fraction = 0.2 @@ -703,5 +716,5 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma perf_graph = true csv = true exodus = true -# checkpoint = true + # checkpoint = true [] diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/multipoint_block_demo_thermoelectical_refres_constant_electricpotential.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/multipoint_block_demo_thermoelectical_refres_constant_electricpotential.i index 1b0f25e7..cefea1d0 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/multipoint_block_demo_thermoelectical_refres_constant_electricpotential.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/constant_electric_potential/multipoint_block_demo_thermoelectical_refres_constant_electricpotential.i @@ -1,4 +1,4 @@ -initial_temperature=1350 +initial_temperature = 1350 [Mesh] type = GeneratedMesh @@ -17,7 +17,6 @@ initial_temperature=1350 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -44,7 +43,8 @@ initial_temperature=1350 [sigma_aeh] initial_condition = 2.0e-10 #in units eV/((nV)^2-s-nm) [] - [microapp_potential] #converted to microapp electronVolts units + [microapp_potential] + #converted to microapp electronVolts units [] [E_x] order = FIRST @@ -151,7 +151,7 @@ initial_temperature=1350 type = FunctionDirichletBC variable = yttria_potential boundary = top - function = '0.05' #+1.0e-6*t' + function = '0.05' #+1.0e-6*t' [] [electric_bottom] type = DirichletBC @@ -179,8 +179,8 @@ initial_temperature=1350 expression = 'specific_heat_capacity_va' #in J/(K-kg) output_properties = yttria_specific_heat_capacity outputs = 'csv exodus' - [../] - [./yttria_density] + [] + [yttria_density] type = ADParsedMaterial property_name = 'yttria_density' coupled_variables = 'density_va' @@ -314,7 +314,7 @@ initial_temperature=1350 [micro] type = TransientMultiApp # type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs max_procs_per_app = 1 #paolo recommends starting here app_type = MalamuteApp positions = '0.00805 0.00295 0 @@ -362,7 +362,7 @@ initial_temperature=1350 variable = temperature_in [] [temperaturepp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = temperature postprocessor = center_temperature @@ -376,20 +376,19 @@ initial_temperature=1350 postprocessor = sigma_AEH_average [] [micro_potential_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = microapp_potential postprocessor = potential_in [] [micro_current_density_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = microapp_current_density postprocessor = current_density_in [] [] - [Outputs] csv = true exodus = true diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectric_oneway.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectric_oneway.i index 7f3ac58e..62fb897d 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectric_oneway.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectric_oneway.i @@ -1,7 +1,7 @@ #This example uses updated electrochemical phase-field model, which includes #Y and O vacancies as defect species (intrinsic defects) #One-way coupling from engineering scale to phase-field -initial_field=10 #from the engineering scale, starting value 10 V/m +initial_field = 10 #from the engineering scale, starting value 10 V/m [Mesh] type = GeneratedMesh @@ -22,70 +22,72 @@ initial_field=10 #from the engineering scale, starting value 10 V/m [] [Variables] - [./wvy] - [../] - [./wvo] - [../] - [./phi] - [../] - [./PolycrystalVariables] - [../] - [./V] + [wvy] + [] + [wvo] + [] + [phi] + [] + [PolycrystalVariables] + [] + [V] # scaling = 1e9 - [../] - [./dV] - [../] + [] + [dV] + [] [] [AuxVariables] - [./bnds] - [../] - [./F_loc] + [bnds] + [] + [F_loc] order = CONSTANT family = MONOMIAL - [../] - [./negative_V] - [../] - [./E_x] + [] + [negative_V] + [] + [E_x] order = CONSTANT family = MONOMIAL - [../] - [./E_y] + [] + [E_y] order = CONSTANT family = MONOMIAL - [../] - [./negative_dV] - [../] - [./dE_x] + [] + [negative_dV] + [] + [dE_x] order = CONSTANT family = MONOMIAL - [../] - [./dE_y] + [] + [dE_y] order = CONSTANT family = MONOMIAL - [../] - [./n_cat_aux] + [] + [n_cat_aux] order = CONSTANT family = MONOMIAL - [../] - [./n_an_aux] + [] + [n_an_aux] order = CONSTANT family = MONOMIAL - [../] - [./T] - [../] - [./Q_joule] #Problem units of eV/nm^3/s + [] + [T] + [] + [Q_joule] + #Problem units of eV/nm^3/s order = CONSTANT family = MONOMIAL - [../] - [./Q_joule_SI] #SI units of J/m^3/s + [] + [Q_joule_SI] + #SI units of J/m^3/s order = CONSTANT family = MONOMIAL - [../] + [] [] [ICs] - [./phi_IC] + [phi_IC] type = SpecifiedSmoothCircleIC variable = phi x_positions = '40 40' @@ -94,8 +96,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m radii = '20 20' invalue = 0 outvalue = 1 - [../] - [./gr0_IC] + [] + [gr0_IC] type = SmoothCircleIC variable = gr0 x1 = 40 @@ -104,8 +106,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr1_IC] + [] + [gr1_IC] type = SmoothCircleIC variable = gr1 x1 = 40 @@ -114,72 +116,72 @@ initial_field=10 #from the engineering scale, starting value 10 V/m radius = 20 invalue = 1 outvalue = 0 - [../] - [./T_IC] + [] + [T_IC] type = ConstantIC variable = T value = 1600 - [../] + [] [] [BCs] - [./dV_top] + [dV_top] type = FunctionDirichletBC preset = true variable = dV boundary = top function = top_bc_funct - [../] - [./dV_bottom] + [] + [dV_bottom] type = DirichletBC preset = true variable = dV boundary = bottom value = 0 - [../] + [] [] [Functions] - [./top_bc_funct] + [top_bc_funct] type = ParsedFunction symbol_names = 'L_y E_y' #L_y is the length of the domain in the y-direction symbol_values = '40 Ey_in' expression = 'L_y * E_y * 1e-9' #1e-9 converts from length units of m in engineering scale to nm in phase-field - [../] + [] [] [Materials] # Free energy coefficients for parabolic curves - [./ks_cat] + [ks_cat] type = ParsedMaterial property_name = ks_cat coupled_variables = 'T' constant_names = 'a b Va' constant_expressions = '-0.0017 140.44 0.03726' expression = '(a*T + b) * Va^2' - [../] - [./ks_an] + [] + [ks_an] type = ParsedMaterial #TODO re-fit this for oxygen property_name = ks_an coupled_variables = 'T' constant_names = 'a b Va' constant_expressions = '-0.0017 140.44 0.03726' expression = '(a*T + b) * Va^2' - [../] - [./kv_cat] + [] + [kv_cat] type = ParsedMaterial property_name = kv_cat material_property_names = 'ks_cat' expression = '10*ks_cat' - [../] - [./kv_an] + [] + [kv_an] type = ParsedMaterial property_name = kv_an material_property_names = 'ks_cat' expression = '10*ks_cat' - [../] + [] # Diffusivity and mobilities - [./chiDy] + [chiDy] type = GrandPotentialTensorMaterial f_name = chiDy diffusivity_name = Dvy @@ -196,8 +198,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m bulkindex = 1 gbindex = 1e6 surfindex = 1e9 - [../] - [./chiDo] + [] + [chiDo] type = GrandPotentialTensorMaterial f_name = chiDo diffusivity_name = Dvo @@ -214,9 +216,9 @@ initial_field=10 #from the engineering scale, starting value 10 V/m bulkindex = 1 gbindex = 1e6 surfindex = 1e9 - [../] + [] # Everything else - [./ns_y_min] + [ns_y_min] type = DerivativeParsedMaterial property_name = ns_y_min coupled_variables = 'gr0 gr1 T' @@ -225,8 +227,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m derivative_order = 2 expression = 'c_B:=exp(-Ef_B/kB/T); bnds:=gr0^2 + gr1^2; (c_B + 4.0 * c_GB * (1.0 - bnds)^2) / Va_Y' - [../] - [./ns_o_min] + [] + [ns_o_min] type = DerivativeParsedMaterial property_name = ns_o_min coupled_variables = 'gr0 gr1 T' @@ -235,8 +237,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m derivative_order = 2 expression = 'c_B:=exp(-Ef_B/kB/T); bnds:=gr0^2 + gr1^2; (c_B + 4.0 * c_GB * (1.0 - bnds)^2) / Va_O' - [../] - [./sintering] + [] + [sintering] type = ElectrochemicalSinteringMaterial chemical_potentials = 'wvy wvo' electric_potential = V @@ -251,8 +253,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m defect_charges = '-3 2' solid_relative_permittivity = 15 solid_energy_model = PARABOLIC - [../] - [./density_chi_y] + [] + [density_chi_y] type = ElectrochemicalDefectMaterial chemical_potential = wvy void_op = phi @@ -268,8 +270,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m solid_energy_model = PARABOLIC defect_charge = -3 solid_relative_permittivity = 15 - [../] - [./density_chi_o] + [] + [density_chi_o] type = ElectrochemicalDefectMaterial chemical_potential = wvo void_op = phi @@ -285,9 +287,9 @@ initial_field=10 #from the engineering scale, starting value 10 V/m solid_energy_model = PARABOLIC defect_charge = 2 solid_relative_permittivity = 15 - [../] + [] - [./permittivity] + [permittivity] type = DerivativeParsedMaterial property_name = permittivity coupled_variables = 'phi' @@ -296,8 +298,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m constant_expressions = '15 5.52e-2' #eps_void_over_e in 1/V/nm derivative_order = 2 expression = '-hs * eps_rel_solid * eps_void_over_e - hv * eps_void_over_e' - [../] - [./solid_pre] + [] + [solid_pre] type = DerivativeParsedMaterial property_name = solid_pre material_property_names = 'hs ns_y_min ns_o_min' @@ -305,8 +307,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m constant_expressions = '-3 2' derivative_order = 2 expression = '-hs * (Z_cat * ns_y_min + Z_an * ns_o_min)' - [../] - [./void_pre] + [] + [void_pre] type = DerivativeParsedMaterial property_name = void_pre material_property_names = 'hv' @@ -314,8 +316,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m constant_expressions = '-3 2 26.837 40.2555' derivative_order = 2 expression = '-hv * (Z_cat * nv_y_min + Z_an * nv_o_min)' - [../] - [./cat_mu_pre] + [] + [cat_mu_pre] type = DerivativeParsedMaterial property_name = cat_mu_pre material_property_names = 'hs hv ks_cat kv_cat' #TODO add material properties for these @@ -323,8 +325,8 @@ initial_field=10 #from the engineering scale, starting value 10 V/m constant_expressions = '-3' derivative_order = 2 expression = '-hs * Z_cat / ks_cat - hv * Z_cat / kv_cat' - [../] - [./an_mu_pre] + [] + [an_mu_pre] type = DerivativeParsedMaterial property_name = an_mu_pre material_property_names = 'hs hv ks_an kv_an' #TODO add material properties for these @@ -332,17 +334,17 @@ initial_field=10 #from the engineering scale, starting value 10 V/m constant_expressions = '2' derivative_order = 2 expression = '-hs * Z_an / ks_an - hv * Z_an / kv_an' - [../] - [./cat_V_pre] + [] + [cat_V_pre] type = DerivativeParsedMaterial property_name = cat_V_pre material_property_names = 'hs hv ks_cat kv_cat' #TODO add material properties for these - constant_names = 'Z_cat v_scale e ' + constant_names = 'Z_cat v_scale e ' constant_expressions = '-3 1 1' derivative_order = 2 expression = 'hs * Z_cat^2 * e * v_scale / ks_cat + hv * Z_cat^2 * e * v_scale / kv_cat' - [../] - [./an_V_pre] + [] + [an_V_pre] type = DerivativeParsedMaterial property_name = an_V_pre material_property_names = 'hs hv ks_an kv_an' #TODO add material properties for these and check sign @@ -350,25 +352,25 @@ initial_field=10 #from the engineering scale, starting value 10 V/m constant_expressions = '2 1 1' derivative_order = 2 expression = 'hs * Z_an^2 * e * v_scale / ks_an + hv * Z_an^2 * e * v_scale / kv_an' - [../] - [./n_cat] + [] + [n_cat] type = ParsedMaterial property_name = n_cat material_property_names = 'hs ns_cat hv nv_cat' expression = '(hs*ns_cat + hv*nv_cat)' - [../] - [./n_an] + [] + [n_an] type = ParsedMaterial property_name = n_an material_property_names = 'hs ns_an hv nv_an' expression = '(hs*ns_an + hv*nv_an)' - [../] - [./constants] + [] + [constants] type = GenericConstantMaterial prop_names = 'gamma_gb' prop_values = '1.0154' - [../] - [./conductivity] + [] + [conductivity] type = DerivativeParsedMaterial property_name = conductivity coupled_variables = 'phi T' @@ -379,12 +381,12 @@ initial_field=10 #from the engineering scale, starting value 10 V/m expression = '(Z_Y^2 * abs(n_cat) * D0_Y * exp(-Em_Y/kB/T) / kB / T + Z_O^2 * abs(n_an) * D0_O * exp(-Em_O/kB/T) / kB / T)*hs + 1e-3' # expression = '1' outputs = exodus - [../] + [] [] [Modules] - [./PhaseField] - [./GrandPotential] + [PhaseField] + [GrandPotential] switching_function_names = 'hv hs' anisotropic = 'true true' @@ -403,157 +405,156 @@ initial_field=10 #from the engineering scale, starting value 10 V/m mobility_name_op = Lv kappa_op = kappa free_energies_op = 'omegav omegas' - [../] - [../] + [] + [] [] [Kernels] - [./Laplace] + [Laplace] type = MatDiffusion variable = V diffusivity = permittivity args = 'phi' - [../] - [./potential_solid_constants] + [] + [potential_solid_constants] type = MaskedBodyForce variable = V coupled_variables = 'phi' mask = solid_pre - [../] - [./potential_void_constants] + [] + [potential_void_constants] type = MaskedBodyForce variable = V coupled_variables = 'phi' mask = void_pre - [../] - [./potential_cat_mu] + [] + [potential_cat_mu] type = MatReaction variable = V v = wvy mob_name = cat_mu_pre - [../] - [./potential_an_mu] + [] + [potential_an_mu] type = MatReaction variable = V v = wvo mob_name = an_mu_pre - [../] - [./potential_cat_V] + [] + [potential_cat_V] type = MatReaction variable = V mob_name = cat_V_pre - [../] - [./potential_an_V] + [] + [potential_an_V] type = MatReaction variable = V mob_name = an_V_pre - [../] - [./Laplace_dV] + [] + [Laplace_dV] type = MatDiffusion variable = dV diffusivity = conductivity args = 'phi' - [../] + [] [] - [AuxKernels] - [./bnds_aux] + [bnds_aux] type = BndsCalcAux variable = bnds execute_on = 'initial timestep_end' - [../] - [./negative_V] + [] + [negative_V] type = ParsedAux variable = negative_V coupled_variables = V expression = '-V' - [../] - [./E_x] + [] + [E_x] type = VariableGradientComponent variable = E_x gradient_variable = negative_V component = x - [../] - [./E_y] + [] + [E_y] type = VariableGradientComponent variable = E_y gradient_variable = negative_V component = y - [../] - [./negative_dV] + [] + [negative_dV] type = ParsedAux variable = negative_dV coupled_variables = dV expression = '-dV' - [../] - [./dE_x] + [] + [dE_x] type = VariableGradientComponent variable = dE_x gradient_variable = negative_dV component = x - [../] - [./dE_y] + [] + [dE_y] type = VariableGradientComponent variable = dE_y gradient_variable = negative_dV component = y - [../] - [./n_cat_aux] + [] + [n_cat_aux] type = MaterialRealAux variable = n_cat_aux property = n_cat - [../] - [./n_an_aux] + [] + [n_an_aux] type = MaterialRealAux variable = n_an_aux property = n_an - [../] - [./Q_joule_aux] + [] + [Q_joule_aux] type = JouleHeatingHeatGeneratedAux variable = Q_joule electrical_conductivity = conductivity elec = dV - [../] - [./Q_joule_convert_SI] + [] + [Q_joule_convert_SI] type = ParsedAux coupled_variables = 'Q_joule' expression = 'Q_joule * 1.602e8' variable = Q_joule_SI - [../] + [] [] [Postprocessors] - [./memory] + [memory] type = MemoryUsage outputs = csv - [../] - [./n_DOFs] + [] + [n_DOFs] type = NumDOFs outputs = csv - [../] - [./dt] + [] + [dt] type = TimestepSize - [../] - [./ns_cat_total] + [] + [ns_cat_total] type = ElementIntegralMaterialProperty mat_prop = n_cat - [../] - [./ns_an_total] + [] + [ns_an_total] type = ElementIntegralMaterialProperty mat_prop = n_an - [../] - [./void_tracker] + [] + [void_tracker] type = FeatureFloodCount execute_on = 'initial timestep_end' variable = phi threshold = 0.5 compute_var_to_feature_map = true - [../] - [./Q_joule_total] + [] + [Q_joule_total] type = ElementIntegralVariablePostprocessor variable = Q_joule_SI - [../] + [] [Ey_in] type = Receiver default = ${initial_field} @@ -572,10 +573,10 @@ initial_field=10 #from the engineering scale, starting value 10 V/m # [] [Preconditioning] - [./SMP] + [SMP] type = SMP full = true - [../] + [] [] [Executioner] @@ -593,12 +594,12 @@ initial_field=10 #from the engineering scale, starting value 10 V/m end_time = 2400 # num_steps = 1 automatic_scaling = true - [./TimeStepper] + [TimeStepper] type = IterationAdaptiveDT dt = 0.1 optimal_iterations = 8 iteration_window = 2 - [../] + [] # dtmax = 1e4 # [./Adaptivity] # refine_fraction = 0.8 @@ -617,5 +618,4 @@ initial_field=10 #from the engineering scale, starting value 10 V/m csv = true exodus = true checkpoint = true - [] diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectrical_aehproperties_refres.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectrical_aehproperties_refres.i index 5844d5db..d38f90fa 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectrical_aehproperties_refres.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/micro_yttria_thermoelectrical_aehproperties_refres.i @@ -1,6 +1,6 @@ -initial_temperature=1350 -initial_voltage=3.95e7 #from the engineering scale at the specific element -initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma +initial_temperature = 1350 +initial_voltage = 3.95e7 #from the engineering scale at the specific element +initial_current_density = -5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # lower_flux=1.0e-9 #roughly calculated from the original marmot example problem [Mesh] @@ -43,21 +43,26 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [PolycrystalVariables] [] - [Tx_AEH] #Temperature used for the x-component of the AEH solve + [Tx_AEH] + #Temperature used for the x-component of the AEH solve initial_condition = ${initial_temperature} # should match the initial auxvariable value # scaling = 1.0e-4 #Scales residual to improve convergence [] - [Ty_AEH] #Temperature used for the y-component of the AEH solve + [Ty_AEH] + #Temperature used for the y-component of the AEH solve initial_condition = ${initial_temperature} # scaling = 1.0e-4 #Scales residual to improve convergence [] - [V] ##defined in nVolts + [V] + ##defined in nVolts [] - [Vx_AEH] # Voltage potential used for the x-component of the AEH solve + [Vx_AEH] + # Voltage potential used for the x-component of the AEH solve initial_condition = ${initial_voltage} # should match the initial auxvariable value [] - [Vy_AEH] #Voltage potential used for the y-component of the AEH solve + [Vy_AEH] + #Voltage potential used for the y-component of the AEH solve initial_condition = ${initial_voltage} [] [] @@ -85,7 +90,7 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [ICs] - [./phi_IC] + [phi_IC] type = SpecifiedSmoothCircleIC variable = phi x_positions = '20 20 60 60' @@ -94,8 +99,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radii = '20 20 20 20' invalue = 0 outvalue = 1 - [../] - [./gr0_IC] + [] + [gr0_IC] type = SmoothCircleIC variable = gr0 x1 = 20 @@ -104,8 +109,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr1_IC] + [] + [gr1_IC] type = SmoothCircleIC variable = gr1 x1 = 20 @@ -114,8 +119,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr2_IC] + [] + [gr2_IC] type = SmoothCircleIC variable = gr2 x1 = 60 @@ -124,8 +129,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] - [./gr3_IC] + [] + [gr3_IC] type = SmoothCircleIC variable = gr3 x1 = 60 @@ -134,7 +139,7 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma radius = 20 invalue = 1 outvalue = 0 - [../] + [] [] [BCs] @@ -177,25 +182,29 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma variable = Vy_AEH [] [] - [fix_AEH_Tx] #Fix Tx_AEH at a single point + [fix_AEH_Tx] + #Fix Tx_AEH at a single point type = PostprocessorDirichletBC variable = Tx_AEH postprocessor = center_temperature boundary = 1000 [] - [fix_AEH_Ty] #Fix Ty_AEH at a single point + [fix_AEH_Ty] + #Fix Ty_AEH at a single point type = PostprocessorDirichletBC variable = Ty_AEH postprocessor = center_temperature boundary = 1000 [] - [fix_AEH_Vx] #Fix Tx_AEH at a single point + [fix_AEH_Vx] + #Fix Tx_AEH at a single point type = PostprocessorDirichletBC variable = Vx_AEH postprocessor = potential_in boundary = 1000 [] - [fix_AEH_Vy] #Fix Ty_AEH at a single point + [fix_AEH_Vy] + #Fix Ty_AEH at a single point type = PostprocessorDirichletBC variable = Vy_AEH postprocessor = potential_in @@ -203,25 +212,24 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [] - [Materials] # Free energy coefficients for parabolic curves - [./ks] + [ks] type = ParsedMaterial property_name = ks coupled_variables = 'temperature_in' constant_names = 'a b' constant_expressions = '-0.0017 140.44' expression = 'a*temperature_in + b' - [../] - [./kv] + [] + [kv] type = ParsedMaterial property_name = kv material_property_names = 'ks' expression = '10*ks' - [../] + [] # Diffusivity and mobilities - [./chiD] + [chiD] type = GrandPotentialTensorMaterial f_name = chiD solid_mobility = L @@ -237,9 +245,9 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma bulkindex = 1 gbindex = 1e6 surfindex = 1e9 - [../] + [] # Everything else - [./cv_eq] + [cv_eq] type = DerivativeParsedMaterial property_name = cv_eq coupled_variables = 'gr0 gr1 gr2 gr3 temperature_in' @@ -248,8 +256,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma derivative_order = 2 expression = 'c_B:=exp(-Ef/kB/temperature_in); bnds:=gr0^2 + gr1^2 + gr2^2 + gr3^2; c_B + 4.0 * c_GB * (1.0 - bnds)^2' - [../] - [./sintering] + [] + [sintering] type = GrandPotentialSinteringMaterial chemical_potential = w void_op = phi @@ -260,10 +268,10 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma solid_energy_coefficient = ks solid_energy_model = PARABOLIC equilibrium_vacancy_concentration = cv_eq - [../] + [] # Concentration is only meant for output - [./c] + [c] type = ParsedMaterial property_name = c material_property_names = 'hs rhos hv rhov' @@ -271,8 +279,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma constant_expressions = '0.0774' expression = 'Va*(hs*rhos + hv*rhov)' outputs = exodus - [../] - [./f_bulk] + [] + [f_bulk] type = ParsedMaterial property_name = f_bulk coupled_variables = 'phi gr0 gr1 gr2 gr3' @@ -282,21 +290,21 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma + gamma*(phi^2*(gr0^2+gr1^2+gr2^2+gr3^2) + gr0^2*(gr1^2+gr2^2+gr3^2) + gr1^2*(gr2^2 + gr3^2) + gr2^2*gr3^2) + 0.25)' outputs = exodus - [../] - [./f_switch] + [] + [f_switch] type = ParsedMaterial property_name = f_switch coupled_variables = 'w' material_property_names = 'chi' expression = '0.5*w^2*chi' outputs = exodus - [../] - [./f0] + [] + [f0] type = ParsedMaterial property_name = f0 material_property_names = 'f_bulk f_switch' expression = 'f_bulk + f_switch' - [../] + [] [electrical_conductivity] type = ADDerivativeParsedMaterial @@ -318,8 +326,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ParsedMaterial property_name = thermal_conductivity coupled_variables = 'phi temperature_in' - constant_names = 'prefactor_void prefactor_solid' - constant_expressions = '0.025 3214.06' #in W/(m-K) #solid value from Larry's curve fitting, data from Klein and Croft, JAP, v. 38, p. 1603 and UC report "For Computer Heat Conduction Calculations - A compilation of thermal properties data" by A.L. Edwards, UCRL-50589 (1969) + constant_names = 'prefactor_void prefactor_solid' + constant_expressions = '0.025 3214.06' #in W/(m-K) #solid value from Larry's curve fitting, data from Klein and Croft, JAP, v. 38, p. 1603 and UC report "For Computer Heat Conduction Calculations - A compilation of thermal properties data" by A.L. Edwards, UCRL-50589 (1969) expression = '(phi * prefactor_void + (1-phi) * prefactor_solid) / (temperature_in - 147.73)' outputs = exodus [] @@ -361,8 +369,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [Modules] - [./PhaseField] - [./GrandPotential] + [PhaseField] + [GrandPotential] switching_function_names = 'hv hs' anisotropic = 'true' @@ -381,26 +389,26 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma mobility_name_op = Lv kappa_op = kappa free_energies_op = 'omegav omegas' - [../] - [../] + [] + [] [] [Kernels] - [./barrier_phi] + [barrier_phi] type = ACBarrierFunction variable = phi v = 'gr0 gr1 gr2 gr3' gamma = gamma mob_name = Lv extra_vector_tags = 'ref' - [../] - [./kappa_phi] + [] + [kappa_phi] type = ACKappaFunction variable = phi mob_name = Lv kappa_name = kappa extra_vector_tags = 'ref' - [../] + [] [electric_yttria] type = ADMatDiffusion variable = V @@ -432,7 +440,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # args = 'phi' # [../] - [heat_x] #All other kernels are for AEH approach to calculate thermal cond. + [heat_x] + #All other kernels are for AEH approach to calculate thermal cond. type = HeatConduction variable = Tx_AEH diffusion_coefficient = thermal_conductivity @@ -459,7 +468,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma extra_vector_tags = 'ref' [] - [voltage_x] #The following four kernels are for AEH approach to calculate electrical cond. + [voltage_x] + #The following four kernels are for AEH approach to calculate electrical cond. type = HeatConduction variable = Vx_AEH diffusion_coefficient = reg_electrical_conductivity @@ -487,38 +497,37 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma [] [] - [AuxKernels] - [./bnds_aux] + [bnds_aux] type = BndsCalcAux variable = bnds execute_on = 'initial timestep_end' - [../] - [./F_aux] + [] + [F_aux] type = TotalFreeEnergy variable = F_loc f_name = f0 interfacial_vars = 'phi gr0 gr1 gr2 gr3' kappa_names = 'kappa kappa kappa kappa kappa' - [../] - [./negative_V] + [] + [negative_V] type = ParsedAux variable = negative_V coupled_variables = V expression = '-V' - [../] - [./E_x] + [] + [E_x] type = VariableGradientComponent variable = E_x gradient_variable = negative_V component = x - [../] - [./E_y] + [] + [E_y] type = VariableGradientComponent variable = E_y gradient_variable = negative_V component = y - [../] + [] [] [Postprocessors] @@ -551,7 +560,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ElementAverageMaterialProperty mat_prop = density [] - [k_x_AEH] #Effective thermal conductivity in x-direction from AEH + [k_x_AEH] + #Effective thermal conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Tx_AEH Ty_AEH' row = 0 @@ -559,7 +569,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma execute_on = TIMESTEP_END # scale_factor = 1e6 #Scale due to length scale of problem [] - [k_y_AEH] #Effective thermal conductivity in x-direction from AEH + [k_y_AEH] + #Effective thermal conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Tx_AEH Ty_AEH' row = 1 @@ -577,7 +588,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma type = ADElementAverageMaterialProperty mat_prop = electrical_conductivity [] - [sigma_x_AEH] #Effective electrical conductivity in x-direction from AEH + [sigma_x_AEH] + #Effective electrical conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Vx_AEH Vy_AEH' row = 0 @@ -586,7 +598,8 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma execute_on = TIMESTEP_END # scale_factor = 1e6 #Scale due to length scale of problem [] - [sigma_y_AEH] #Effective electrical conductivity in x-direction from AEH + [sigma_y_AEH] + #Effective electrical conductivity in x-direction from AEH type = HomogenizedThermalConductivity chi = 'Vx_AEH Vy_AEH' row = 1 @@ -601,23 +614,23 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma pp_names = 'sigma_x_AEH sigma_y_AEH' [] - [./c_total] + [c_total] type = ElementIntegralMaterialProperty mat_prop = c outputs = csv - [../] - [./total_energy] + [] + [total_energy] type = ElementIntegralVariablePostprocessor variable = F_loc outputs = csv - [../] - [./void_tracker] + [] + [void_tracker] type = FeatureFloodCount execute_on = 'initial timestep_end' variable = phi threshold = 0.5 compute_var_to_feature_map = true - [../] + [] [rough_phi] type = ElementAverageValue variable = phi @@ -636,18 +649,18 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma # [] [UserObjects] - [./terminator] + [terminator] type = Terminator expression = 'void_tracker = 1' execute_on = TIMESTEP_END - [../] + [] [] [Preconditioning] - [./SMP] + [SMP] type = SMP full = true - [../] + [] [] [Executioner] @@ -685,12 +698,12 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma dtmin = 1.0e-4 timestep_tolerance = 1e-8 # num_steps = 10 - [./TimeStepper] + [TimeStepper] type = IterationAdaptiveDT dt = 10.0 optimal_iterations = 8 iteration_window = 2 - [../] + [] # [./Adaptivity] # refine_fraction = 0.8 # coarsen_fraction = 0.2 @@ -703,5 +716,5 @@ initial_current_density=-5.6e-10 # -5.8e-10 #roughly for 1350K #nV/nm * \sigma perf_graph = true csv = true exodus = true -# checkpoint = true + # checkpoint = true [] diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics.i index cffcdae1..6b938a59 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics.i @@ -59,7 +59,8 @@ initial_temperature = 1350 [sigma_aeh] initial_condition = 2.0e-10 #in units eV/((nV)^2-s-nm) [] - [microapp_potential] #converted to microapp electronVolts units + [microapp_potential] + #converted to microapp electronVolts units [] [E_x] order = FIRST @@ -80,14 +81,16 @@ initial_temperature = 1350 [] [Physics] - [SolidMechanics/QuasiStatic] - [yttria] - strain = FINITE - add_variables = true - use_automatic_differentiation = true - generate_output = 'strain_xx strain_xy strain_yy strain_zz stress_xx stress_xy stress_yy stress_zz' - extra_vector_tags = 'ref' - eigenstrain_names = 'yttria_thermal_expansion' + [SolidMechanics] + [QuasiStatic] + [yttria] + strain = FINITE + add_variables = true + use_automatic_differentiation = true + generate_output = 'strain_xx strain_xy strain_yy strain_zz stress_xx stress_xy stress_yy stress_zz' + extra_vector_tags = 'ref' + eigenstrain_names = 'yttria_thermal_expansion' + [] [] [] [] diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics_elastic.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics_elastic.i index b54b1be4..6c29ab44 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics_elastic.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_electrothermomechanics_elastic.i @@ -59,7 +59,8 @@ initial_temperature = 1350 [sigma_aeh] initial_condition = 2.0e-10 #in units eV/((nV)^2-s-nm) [] - [microapp_potential] #converted to microapp electronVolts units + [microapp_potential] + #converted to microapp electronVolts units [] [E_x] order = FIRST @@ -80,14 +81,16 @@ initial_temperature = 1350 [] [Physics] - [SolidMechanics/QuasiStatic] - [yttria] - strain = FINITE - add_variables = true - use_automatic_differentiation = true - generate_output = 'strain_xx strain_xy strain_yy strain_zz stress_xx stress_xy stress_yy stress_zz' - extra_vector_tags = 'ref' - eigenstrain_names = 'yttria_thermal_expansion' + [SolidMechanics] + [QuasiStatic] + [yttria] + strain = FINITE + add_variables = true + use_automatic_differentiation = true + generate_output = 'strain_xx strain_xy strain_yy strain_zz stress_xx stress_xy stress_yy stress_zz' + extra_vector_tags = 'ref' + eigenstrain_names = 'yttria_thermal_expansion' + [] [] [] [] diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_fcn_electricpotential.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_fcn_electricpotential.i index 99899c29..c71263aa 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_fcn_electricpotential.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_fcn_electricpotential.i @@ -1,4 +1,4 @@ -initial_temperature=1350 +initial_temperature = 1350 [GlobalParams] order = SECOND @@ -24,7 +24,6 @@ initial_temperature=1350 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -46,7 +45,8 @@ initial_temperature=1350 [sigma_aeh] initial_condition = 2.0e-10 #in units eV/((nV)^2-s-nm) [] - [microapp_potential] #converted to microapp electronVolts units + [microapp_potential] + #converted to microapp electronVolts units [] [E_x] order = FIRST @@ -103,7 +103,7 @@ initial_temperature=1350 variable = heat_transfer_radiation boundary = right coupled_variables = 'temperature' - constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss + constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss constant_expressions = '5.67e-8 0.1 1000.0' #estimated farfield temperature, to stand in for graphite, in a manner expression = '-boltzmann*epsilon*(temperature^4-temperature_farfield^4)' [] @@ -133,7 +133,7 @@ initial_temperature=1350 [microapp_current_density] type = ParsedAux variable = microapp_current_density - coupled_variables = 'sigma_aeh E_y' ## Probably needs to be updated to use the current_density_J + coupled_variables = 'sigma_aeh E_y' ## Probably needs to be updated to use the current_density_J expression = '-1.0*sigma_aeh*E_y' [] [] @@ -152,12 +152,11 @@ initial_temperature=1350 # function = '${initial_temperature} + 50.0/60.0*t' #stand-in for a 50C/min heating rate # [] - [electric_top] type = ADFunctionDirichletBC variable = electric_potential boundary = top - function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey + function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey [] [electric_bottom] type = ADDirichletBC @@ -196,8 +195,8 @@ initial_temperature=1350 [] [electrical_conductivity] type = ADParsedMaterial - # coupled_variables = 'sigma_aeh' - # expression = 'sigma_aeh*1.602e8' #converts to units of J/(V^2-m-s) + # coupled_variables = 'sigma_aeh' + # expression = 'sigma_aeh*1.602e8' #converts to units of J/(V^2-m-s) property_name = 'electrical_conductivity' output_properties = electrical_conductivity outputs = 'exodus csv' @@ -262,8 +261,7 @@ initial_temperature=1350 variable = electrical_conductivity [] - -### The following are useful for debugging, but are mesh dependent via the elementid + ### The following are useful for debugging, but are mesh dependent via the elementid [temperature_368] type = ElementalVariableValue variable = temperature @@ -305,7 +303,7 @@ initial_temperature=1350 [micro] type = TransientMultiApp # type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs max_procs_per_app = 1 #paolo recommends starting here app_type = MalamuteApp positions = '0.0074 0.0058 0' #roughly the center of element 368 in this mesh @@ -323,27 +321,26 @@ initial_temperature=1350 variable = temperature_in [] [temperaturepp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = temperature postprocessor = center_temperature [] [micro_potential_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = microapp_potential postprocessor = potential_in [] [micro_current_density_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = microapp_current_density postprocessor = current_density_in [] [] - [Outputs] csv = true exodus = true diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield.i index 909a7b8b..92f698d9 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield.i @@ -1,7 +1,7 @@ #This example uses updated electrochemical phase-field model, which includes #Y and O vacancies as defect species (intrinsic defects) #One-way coupling from engineering scale to phase-field -initial_temperature=300 +initial_temperature = 300 [GlobalParams] order = SECOND @@ -27,7 +27,6 @@ initial_temperature=300 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -102,7 +101,7 @@ initial_temperature=300 variable = heat_transfer_radiation boundary = right coupled_variables = 'temperature' - constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss + constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss constant_expressions = '5.67e-8 0.1 1600.0' #estimated farfield temperature, to stand in for graphite, in a manner expression = '-boltzmann*epsilon*(temperature^4-temperature_farfield^4)' [] @@ -142,7 +141,7 @@ initial_temperature=300 type = ADFunctionDirichletBC variable = electric_potential boundary = top - function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey + function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey [] [electric_bottom] type = ADDirichletBC @@ -181,8 +180,8 @@ initial_temperature=300 [] [electrical_conductivity] type = ADParsedMaterial - # coupled_variables = 'sigma_aeh' - # expression = 'sigma_aeh*1.602e-10' #converts to units of J/(V^2-m-s) + # coupled_variables = 'sigma_aeh' + # expression = 'sigma_aeh*1.602e-10' #converts to units of J/(V^2-m-s) property_name = 'electrical_conductivity' output_properties = electrical_conductivity outputs = 'exodus csv' @@ -250,7 +249,7 @@ initial_temperature=300 [micro] type = TransientMultiApp # type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs max_procs_per_app = 1 #paolo recommends starting here app_type = MalamuteApp positions = '0.0074 0.0058 0' #roughly the center of element 368 in this mesh @@ -268,14 +267,13 @@ initial_temperature=300 variable = T [] [micro_field_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = E_y postprocessor = Ey_in [] [] - [Outputs] csv = true exodus = true diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield_controls.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield_controls.i index 0d05ded9..f8d71bf9 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield_controls.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/oneway_coupling_demo_new_phasefield_controls.i @@ -2,7 +2,7 @@ #Y and O vacancies as defect species (intrinsic defects) #One-way coupling from engineering scale to phase-field #This includes controls to set solve to false when T < 1200 K -initial_temperature=300 +initial_temperature = 300 [GlobalParams] order = SECOND @@ -28,7 +28,6 @@ initial_temperature=300 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -103,7 +102,7 @@ initial_temperature=300 variable = heat_transfer_radiation boundary = right coupled_variables = 'temperature' - constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss + constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss constant_expressions = '5.67e-8 0.1 1600.0' #estimated farfield temperature, to stand in for graphite, in a manner expression = '-boltzmann*epsilon*(temperature^4-temperature_farfield^4)' [] @@ -143,7 +142,7 @@ initial_temperature=300 type = ADFunctionDirichletBC variable = electric_potential boundary = top - function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey + function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey [] [electric_bottom] type = ADDirichletBC @@ -182,8 +181,8 @@ initial_temperature=300 [] [electrical_conductivity] type = ADParsedMaterial - # coupled_variables = 'sigma_aeh' - # expression = 'sigma_aeh*1.602e-10' #converts to units of J/(V^2-m-s) + # coupled_variables = 'sigma_aeh' + # expression = 'sigma_aeh*1.602e-10' #converts to units of J/(V^2-m-s) property_name = 'electrical_conductivity' output_properties = electrical_conductivity outputs = 'exodus csv' @@ -251,7 +250,7 @@ initial_temperature=300 [micro] type = TransientMultiApp # type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs max_procs_per_app = 1 #paolo recommends starting here app_type = MalamuteApp positions = '0.0074 0.0058 0' #roughly the center of element 368 in this mesh @@ -269,14 +268,13 @@ initial_temperature=300 variable = T [] [micro_field_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = E_y postprocessor = Ey_in [] [] - [Outputs] csv = true exodus = true diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield.i index b38818b7..ce0ac18f 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield.i @@ -1,7 +1,7 @@ #This example uses updated electrochemical phase-field model, which includes #Y and O vacancies as defect species (intrinsic defects) #Two-way coupling from engineering scale to phase-field -initial_temperature=300 +initial_temperature = 300 [GlobalParams] order = SECOND @@ -27,7 +27,6 @@ initial_temperature=300 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -68,7 +67,8 @@ initial_temperature=300 order = FIRST family = LAGRANGE [] - [Q_from_sub] #this will be in eV/m/s, will need unit conversion to J/m^3/s based on phase-field domain size + [Q_from_sub] + #this will be in eV/m/s, will need unit conversion to J/m^3/s based on phase-field domain size order = FIRST family = LAGRANGE [] @@ -108,7 +108,7 @@ initial_temperature=300 variable = heat_transfer_radiation boundary = right coupled_variables = 'temperature' - constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss + constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss constant_expressions = '5.67e-8 0.1 1600.0' #estimated farfield temperature, to stand in for graphite, in a manner expression = '-boltzmann*epsilon*(temperature^4-temperature_farfield^4)' [] @@ -148,7 +148,7 @@ initial_temperature=300 type = ADFunctionDirichletBC variable = electric_potential boundary = top - function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey + function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey [] [electric_bottom] type = ADDirichletBC @@ -263,7 +263,7 @@ initial_temperature=300 [micro] type = TransientMultiApp # type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs max_procs_per_app = 1 #paolo recommends starting here app_type = MalamuteApp positions = '0.0074 0.0058 0' #roughly the center of element 368 in this mesh @@ -302,26 +302,25 @@ initial_temperature=300 variable = T [] [temperature_to_sub_postproc] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = temperature postprocessor = T_postproc [] [potential_to_sub_postproc] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = electric_potential postprocessor = V_postproc [] [micro_field_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = E_y postprocessor = Ey_in [] [] - [Outputs] csv = true exodus = true diff --git a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield_lots_controls.i b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield_lots_controls.i index 0658cc50..e4233b4b 100644 --- a/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield_lots_controls.i +++ b/examples/sps/multiapp/yttria_thermoelectric/reference_residual/function_electricpotential/twoway_coupling_demo_new_phasefield_lots_controls.i @@ -1,7 +1,7 @@ #This example uses updated electrochemical phase-field model, which includes #Y and O vacancies as defect species (intrinsic defects) #Two-way coupling from engineering scale to phase-field -initial_temperature=300 +initial_temperature = 300 [GlobalParams] order = SECOND @@ -27,7 +27,6 @@ initial_temperature=300 extra_tag_vectors = 'ref' [] - [Variables] [temperature] initial_condition = ${initial_temperature} @@ -68,7 +67,8 @@ initial_temperature=300 order = FIRST family = LAGRANGE [] - [Q_from_sub] #this will be in eV/m/s, will need unit conversion to J/m^3/s based on phase-field domain size + [Q_from_sub] + #this will be in eV/m/s, will need unit conversion to J/m^3/s based on phase-field domain size order = FIRST family = LAGRANGE [] @@ -108,7 +108,7 @@ initial_temperature=300 variable = heat_transfer_radiation boundary = right coupled_variables = 'temperature' - constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss + constant_names = 'boltzmann epsilon temperature_farfield' #published emissivity for graphite is 0.85, but use 0.1 to prevent too much heat loss constant_expressions = '5.67e-8 0.1 1600.0' #estimated farfield temperature, to stand in for graphite, in a manner expression = '-boltzmann*epsilon*(temperature^4-temperature_farfield^4)' [] @@ -148,7 +148,7 @@ initial_temperature=300 type = ADFunctionDirichletBC variable = electric_potential boundary = top - function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey + function = 'if(t<20.0, 4.0e-3*t, 0.08)' #rate roughly from Cincotti, per discussion with Casey [] [electric_bottom] type = ADDirichletBC @@ -263,7 +263,7 @@ initial_temperature=300 [micro] type = TransientMultiApp # type = CentroidMultiApp # lauches one in the middle of each element so don't need to give positions - #can specify the number of procs + #can specify the number of procs app_type = MalamuteApp positions = '0.0074 0.0058 0' #roughly the center of element 368 in this mesh input_files = micro_yttria_thermoelectric_twoway_lots_controls.i @@ -301,26 +301,25 @@ initial_temperature=300 variable = T [] [temperature_to_sub_postproc] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = temperature postprocessor = T_postproc [] [potential_to_sub_postproc] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = electric_potential postprocessor = V_postproc [] [micro_field_pp_to_sub] - type = MultiAppVariableValueSamplePostprocessorTransfer + type = MultiAppVariableValueSamplePostprocessorTransfer to_multi_app = micro source_variable = E_y postprocessor = Ey_in [] [] - [Outputs] csv = true exodus = true