Merge pull request #29 from nstauff/example-reorg

Completed reorganization of WATTS examples.

examples/example1b_BISON/example1b.py → examples/1App_BISON_MetalFuel/watts_exec.py

@@ -42,7 +42,7 @@
 
 moose_app_type = "bison"
 app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-moose_plugin = watts.PluginMOOSE(moose_app_type.lower() + '_template', show_stdout=True, n_cpu=2) # show all the output
+moose_plugin = watts.PluginMOOSE('bison_template', show_stdout=True, n_cpu=2) # show all the output
 moose_plugin.moose_exec = app_dir + "/" + moose_app_type.lower() + "-opt"
 moose_result = moose_plugin(params)
 for key in moose_result.csv_data:

examples/1App_MOOSE-MultiApp_Simple/README.md

@@ -0,0 +1,20 @@
+# 1App_MOOSE-MultiApp_Simple
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS to perform a simple simulation leveraging MOOSE's MultiApps system.
+
+## Code(s)
+
+- MOOSE MultiApps
+
+## Keywords
+
+- Simple MultiApps
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): Optimization definition with `SciPy`. This is the file to execute to run the problem described above.
+- [__main.tmpl__](main.tmpl): Main MOOSE input file for the main application. This input is templated.
+- [__main_in.e__](main_in.e): Mesh file for the MOOSE simulation.
+- [__sub.i__](sub.i): Input file for the sub-application.

examples/example5_multiapps/example5a.py → examples/1App_MOOSE-MultiApp_Simple/watts_exec.py

@@ -1,6 +1,10 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
+"""
+This example provides a demonstration on how to use WATTS to perform a simple simulation leveraging MOOSE's MultiApps system.
+"""
+
 from math import cos, pi
 import os
 import watts

examples/1App_OpenMC_VHTR/README.md

@@ -0,0 +1,21 @@
+# MultiApp_SAM-OpenMC_VHTR
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS to perform a single SAM run followed by OpenMC, where temperature results from SAM are input to OpenMC.
+
+## Code(s)
+
+- SAM
+- OpenMC
+
+## Keywords
+
+- Information transfer from SAM to OpenMC
+- simple VHTR model
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
+- [__openmc_template__](openmc_template.py): OpenMC templated model.
+

examples/1App_OpenMC_VHTR/watts_exec.py

@@ -0,0 +1,68 @@
+# SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
+# SPDX-License-Identifier: MIT
+
+"""
+This example demonstrates how to use WATTS to perform 
+OpenMC calculation. This example uses a simple VHTR unit-cell
+model with 1 coolant channel surrounded by graphite and fuel.
+The demonstration includes the application of unit-conversion
+approach in WATTS. OpenMC is executed and the main results are 
+printed out and stored in the params database.
+"""
+
+from math import cos, pi
+import os
+import watts
+from statistics import mean
+from openmc_template import build_openmc_model
+from astropy.units import Quantity
+
+
+params = watts.Parameters()
+
+# Core design params
+params['ax_ref'] = 20 # cm
+params['num_cool_pins'] = 1*6+2*6+6*2/2
+params['num_fuel_pins'] = 6+6+6+3*6+2*6/2+6/3
+params['Height_FC'] = 2.0 # m
+params['Lattice_pitch'] = 2.0
+params['FuelPin_rad'] = 0.90 # cm
+params['cool_hole_rad'] = 0.60 # cm
+params['Coolant_channel_diam'] = (params['cool_hole_rad'] * 2)/100 # in m
+params['Graphite_thickness'] = (params['Lattice_pitch'] - params['FuelPin_rad'] - params['cool_hole_rad']) # cm
+params['Assembly_pitch'] = 7.5 * 2 * params['Lattice_pitch'] / (cos(pi/6) * 2)
+params['lbp_rad'] = 0.25 # cm
+params['mod_ext_rad'] = 0.90 # cm
+params['shell_thick'] = 0.05   # FeCrAl
+params['liner_thick'] = 0.007  # Cr
+params['control_pin_rad'] = Quantity(9.9, "mm") # Automatically converts to 'm' for MOOSE and 'cm' for openmc
+
+# Control use of S(a,b) tables
+params['use_sab'] = True
+params['use_sab_BeO'] = True
+params['use_sab_YH2'] = False
+
+# OpenMC params
+params['cl'] = params['Height_FC']*100 - 2 * params['ax_ref'] # cm
+params['pf'] = 40 # percent
+
+# get temperature from SAM results
+params['temp'] = Quantity(725, "Celsius")
+for i in range(1, 6):
+    params[f'temp_F{i}'] = Quantity(725, "Celsius")
+
+params.show_summary(show_metadata=False, sort_by='time')
+
+# Run OpenMC plugin
+openmc_plugin = watts.PluginOpenMC(build_openmc_model, show_stderr=True) # show only error
+openmc_result = openmc_plugin(params)
+print("KEFF = ", openmc_result.keff)
+print(openmc_result.inputs)
+print(openmc_result.outputs)
+print(openmc_result.tallies[0].get_pandas_dataframe())
+
+power_fractions = openmc_result.tallies[0].get_values(scores=['nu-fission']).ravel()
+for i, power_frac in enumerate(power_fractions):
+    params[f'Init_P_{i+1}'] = power_frac
+
+params.show_summary(show_metadata=True, sort_by='time')

examples/1App_PyARC_UnitCell/README.md

@@ -0,0 +1,20 @@
+# 1App_PyARC_UnitCell
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS to perform a single PyARC run and save selected results in the params database.
+
+## Code(s)
+
+- PyARC - MCC3 and DIF3D
+
+## Keywords
+
+- PyARC execution
+- Results extraction
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
+- [__pyarc_template__](pyarc_template): PyARC templated input file.
+- [__lumped.son__](lumped.son): SON file referenced in PyARC input with description of lumped fission products.

examples/example1c_PyARC/pyarc_template → examples/1App_PyARC_UnitCell/pyarc_template

@@ -52,7 +52,7 @@ calculations{
        xslib            = "endf7.0"
        egroupname       = ANL33
        scattering_order = 1
-       lumped_element_text_file( lu35 ) = "lumped_test5.son"
+       lumped_element_text_file( lu35 ) = "lumped.son"
         cell( a ){
             associated_sub_assembly     = sub_assembly_name
         }

examples/example1c_PyARC/example1c.py → examples/1App_PyARC_UnitCell/watts_exec.py

@@ -1,6 +1,16 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
+"""
+This example demonstrates how to use WATTS to perform 
+PyARC simulations. The PyARC model is very simple 
+unit-cell that uses lumped fission product defined 
+in other file. Both MCC3 and DIF3D are being executed. 
+The example also applies unit-conversion
+capability of WATTS. Results from PyARC are extracted 
+and stored in params.
+"""
+
 import watts
 from astropy.units import Quantity
 
@@ -14,7 +24,7 @@
 
 # PyARC Workflow
 
-pyarc_plugin = watts.PluginPyARC('pyarc_template', show_stdout=True, extra_inputs=['lumped_test5.son']) # show all the output
+pyarc_plugin = watts.PluginPyARC('pyarc_template', show_stdout=True, extra_inputs=['lumped.son']) # show all the output
 pyarc_result = pyarc_plugin(params)
 for key in pyarc_result.results_data:
     print(key, pyarc_result.results_data[key])

examples/1App_SAM_VHTR/README.md

@@ -0,0 +1,20 @@
+# 1App_SAM_VHTR
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS to perform a single SAM run using the MOOSE plugin.
+
+## Code(s)
+
+- SAM
+
+## Keywords
+
+- SAM execution
+- unit-conversion
+- simple VHTR model
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
+- [__sam_template__](sam_template): SAM templated input file.

examples/example1a_SAM/example1a.py → examples/1App_SAM_VHTR/watts_exec.py

@@ -1,6 +1,15 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
+"""
+This example demonstrates how to use WATTS to perform 
+SAM calculations. This example uses a simple VHTR unit-cell
+model with 1 coolant channel surrounded by graphite and fuel.
+The demonstration includes the application of unit-conversion
+approach in WATTS. After execution of SAM using the MOOSE plugin,
+the results stored in CSV files are displayed to the user.
+"""
+
 from math import cos, pi
 import os
 import watts

examples/1App_SAS_SodiumLoop/README.md

@@ -0,0 +1,20 @@
+# 1App_SAS_SodiumLoop
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS for a simple SAS model.
+
+## Code(s)
+
+- SAS
+- CHANNEL module
+- PRIMAR4 module
+
+## Keywords
+
+- Sodium Loop
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): This is the file to execute to run the problem described above.
+- [__sas_template__](sas_template): Templated SAS input.

examples/example4_main/example4.py → examples/Main_SAM-OpenMC_VHTR/watts_main.py

@@ -1,6 +1,12 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
+"""
+This example just uses the workflow in `MultiApp_SAM-OpenMC_VHTR`
+and applies it in a procedure for re-use in optimization and 
+sensitivity analyses.
+"""
+
 from math import cos, pi
 import os
 import watts
@@ -61,7 +67,7 @@ def calc_workflow(X):
     # set your SAM directorate as SAM_DIR
     moose_app_type = "SAM"
     app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-    sam_plugin = watts.PluginMOOSE('../example1a_SAM/sam_template', show_stderr=False) # does not show anything
+    sam_plugin = watts.PluginMOOSE('../1App_SAM_VHTR/sam_template', show_stderr=False) # does not show anything
     sam_plugin.moose_exec = app_dir + "/" + moose_app_type.lower() + "-opt"
     sam_result = sam_plugin(params)
     max_Tf = max(sam_result.csv_data[f'max_Tf_{i}'][-1] for i in range(1, 6))

examples/MultiApp_SAM-OpenMC_VHTR/README.md

@@ -0,0 +1,21 @@
+# MultiApp_SAM-OpenMC_VHTR
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS to perform a single SAM run followed by OpenMC, where temperature results from SAM are input to OpenMC.
+
+## Code(s)
+
+- SAM
+- OpenMC
+
+## Keywords
+
+- Information transfer from SAM to OpenMC
+- simple VHTR model
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
+- [__openmc_template__](openmc_template.py): Link to OpenMC templated model.
+

examples/MultiApp_SAM-OpenMC_VHTR/openmc_template.py

@@ -0,0 +1 @@
+../1App_OpenMC_VHTR/openmc_template.py

examples/example2_SAM_OpenMC/example2.py → examples/MultiApp_SAM-OpenMC_VHTR/watts_exec.py

@@ -1,6 +1,20 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
+"""
+This example demonstrates how to use WATTS to perform 
+SAM calculations followed by OpenMC calculation. 
+This example uses a simple VHTR unit-cell
+model with 1 coolant channel surrounded by graphite and fuel.
+The demonstration includes the application of unit-conversion
+approach in WATTS. After execution of SAM using the MOOSE plugin,
+the results stored in CSV files are displayed to the user.
+Then, OpenMC is executed with temperature information coming
+from SAM calculated graphite temperature. After execution,
+the main results from OpenMC are printed out and stored
+in the params database.
+"""
+
 from math import cos, pi
 import os
 import watts
@@ -60,7 +74,7 @@
 
 moose_app_type = "SAM"
 app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-moose_plugin = watts.PluginMOOSE('../example1a_SAM/sam_template', show_stderr=True) # show only error
+moose_plugin = watts.PluginMOOSE('../1App_SAM_VHTR/sam_template', show_stderr=True) # show only error
 moose_plugin.moose_exec = app_dir + "/" + moose_app_type.lower() + "-opt"
 moose_result = moose_plugin(params)
 for key in moose_result.csv_data:

examples/MultiStep_Griffin-BISON-Sockeye_MR/README.md

@@ -0,0 +1,42 @@
+# MultiStep_Griffin-BISON-Sockeye_MR
+
+## Purpose
+
+This example provides a demonstration on how to use WATTS to model multi-step Workflows for multiphysics simulation involving various MOOSE applications coupled by MOOSE's MultiApps system.
+
+## Code(s)
+
+- MOOSE MultiApp
+- Sockeye
+- BISON
+- Griffin
+
+## Keywords
+
+- Multi-steps
+- MultiApp
+- Micro-reactor
+- Steady-state
+- Transient
+
+## File descriptions
+
+- [__watts_exec.py__](watts_exec.py): Workflow definition. This is the file to execute to run the problem described above.
+- [__unitcell_nogap_hom_xml_G11_df_MP.xml__](unitcell_nogap_hom_xml_G11_df_MP.xml): ISOXML file containing multigroup XS for Griffin
+- [__3D_unit_cell_FY21_level-1_bison.e__](3D_unit_cell_FY21_level-1_bison.e): Mesh file with heat pipe holes for BISON/MOOSE subapplication.
+- [__3D_unit_cell_FY21_supersimple.e__](3D_unit_cell_FY21_supersimple.e): Main mesh file used by Griffin parent app.
+
+### Steady State
+- [__MP_ss_griffin.tmpl__](MP_ss_griffin.tmpl): Griffin input at steady-state - this is main template for steady-state.
+- [__MP_ss_moose.i__](MP_ss_moose.i): MOOSE input for thermal heat conduction at steady-state. This is sub-app to Griffin.
+- [__MP_ss_sockeye.i__](MP_ss_sockeye.i): Sockeye input for heat conduction through heatpipes at steady-state. This is sub-app to MOOSE.
+
+### Null Transient
+- [__MP_trN_griffin.tmpl__](MP_trN_griffin.tmpl): Griffin input during null transient.
+- [__MP_trN_moose.i__](MP_trN_moose.i): MOOSE input for thermal heat conduction during null transient.
+- [__MP_trN_sockeye.i__](MP_trN_sockeye.i): Sockeye input for heat conduction through heatpipes during null transient.
+
+### Transinet
+- [__MP_tr_griffin.tmpl__](MP_tr_griffin.tmpl): Griffin input during transient.
+- [__MP_tr_moose.i__](MP_tr_moose.i): MOOSE input for thermal heat conduction during transient.
+- [__MP_tr_sockeye.i__](MP_tr_sockeye.i): Sockeye input for heat conduction through heatpipes during transient.

examples/example6_adv_multiapps/example6.py → examples/MultiStep_Griffin-BISON-Sockeye_MR/watts_exec.py

@@ -4,10 +4,12 @@
 import os
 import watts
 
-# A three-step three-level MultiApps system for a Microreactor Unit Cell is run here
-# First step is steady state simulation
-# Second step is a Null transient simulation to confirm the steady state obtained
-# Third step is a real transient simulation induced by loss of cooling capacity
+"""
+A three-step three-level MultiApps system for a Microreactor Unit Cell is run here
+First step is steady state simulation
+Second step is a Null transient simulation to confirm the steady state obtained
+Third step is a real transient simulation induced by loss of cooling capacity
+"""
 
 # set your SuperMoose directory as SUPER_MOOSE
 # As Sockeye is run through dynamic linking