Merge pull request #26429 from lindsayad/gg-ref-26421

Add Schonfelder paper reference
idaholab · Dec 29, 2023 · f9ce0df · f9ce0df
2 parents 571d361 + aeec5be
commit f9ce0df
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diff --git a/modules/phase_field/doc/content/bib/phase_field.bib b/modules/phase_field/doc/content/bib/phase_field.bib
@@ -212,3 +212,13 @@ @article{jacob2018revised
   year={2018},
   publisher={Elsevier}
 }
+
+@article{schonfelder1997molecular,
+  title={Molecular-dynamics method for the simulation of grain-boundary migration},
+  author={Sch{\"o}nfelder, B and Wolf, D and Phillpot, SR and Furtkamp, M},
+  journal={Interface Science},
+  volume={5},
+  pages={245--262},
+  year={1997},
+  publisher={Springer}
+}
diff --git a/modules/phase_field/doc/content/modules/phase_field/Grain_Growth_Model.md b/modules/phase_field/doc/content/modules/phase_field/Grain_Growth_Model.md
@@ -128,7 +128,9 @@ A = A_0 - 2 \pi M \gamma t,
 \end{equation}
 where $A_0$ is the initial radius of the circular grain.
 
-This case can be easily implemented using MOOSE, and the change in the area with time is outputted using a Postprocessor:
+This case can be easily implemented using MOOSE, and the change in the area with
+time is outputted using a Postprocessor, as shown in the below input which
+leverages data from [!citep](schonfelder1997molecular).
 
 !listing modules/phase_field/test/tests/grain_growth/test.i
 

diff --git a/modules/phase_field/examples/grain_growth/grain_growth_2D_graintracker.i b/modules/phase_field/examples/grain_growth/grain_growth_2D_graintracker.i
@@ -99,9 +99,9 @@
     type = GBEvolution
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 14 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 #m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 #eV for copper from Schoenfelder1997
-    GBenergy = 0.708 #J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 #m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 #eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 #J/m^2 from schonfelder1997molecular bibtex entry
   []
 []
 

diff --git a/modules/phase_field/examples/grain_growth/grain_growth_2D_random.i b/modules/phase_field/examples/grain_growth/grain_growth_2D_random.i
@@ -80,8 +80,8 @@
   [CuGrGr]
     # Material properties
     type = GBEvolution # Quantitative material properties for copper grain growth.  Dimensions are nm and ns
-    GBmob0 = 2.5e-6 # Mobility prefactor for Cu from Schonfelder1997
-    GBenergy = 0.708 # GB energy for Cu from Schonfelder1997
+    GBmob0 = 2.5e-6 # Mobility prefactor for Cu from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # GB energy for Cu from schonfelder1997molecular bibtex entry
     Q = 0.23 # Activation energy for grain growth from Schonfelder 1997
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 14 # Width of the diffuse GB

diff --git a/modules/phase_field/examples/grain_growth/grain_growth_2D_voronoi.i b/modules/phase_field/examples/grain_growth/grain_growth_2D_voronoi.i
@@ -97,8 +97,8 @@
   [./CuGrGr]
     # Material properties
     type = GBEvolution # Quantitative material properties for copper grain growth.  Dimensions are nm and ns
-    GBmob0 = 2.5e-6 #Mobility prefactor for Cu from Schonfelder1997
-    GBenergy = 0.708 #GB energy for Cu from Schonfelder1997
+    GBmob0 = 2.5e-6 #Mobility prefactor for Cu from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 #GB energy for Cu from schonfelder1997molecular bibtex entry
     Q = 0.23 #Activation energy for grain growth from Schonfelder 1997
     T = 450 # K   #Constant temperature of the simulation (for mobility calculation)
     wGB = 14 # nm      #Width of the diffuse GB

diff --git a/modules/phase_field/examples/grain_growth/grain_growth_2D_voronoi_newadapt.i b/modules/phase_field/examples/grain_growth/grain_growth_2D_voronoi_newadapt.i
@@ -91,8 +91,8 @@
   [./CuGrGr]
     # Material properties
     type = GBEvolution # Quantitative material properties for copper grain growth.  Dimensions are nm and ns
-    GBmob0 = 2.5e-6 # Mobility prefactor for Cu from Schonfelder1997
-    GBenergy = 0.708 # GB energy for Cu from Schonfelder1997
+    GBmob0 = 2.5e-6 # Mobility prefactor for Cu from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # GB energy for Cu from schonfelder1997molecular bibtex entry
     Q = 0.23 # Activation energy for grain growth from Schonfelder 1997
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 14 # Width of the diffuse GB

diff --git a/modules/phase_field/examples/grain_growth/grain_growth_3D.i b/modules/phase_field/examples/grain_growth/grain_growth_3D.i
@@ -272,9 +272,9 @@
     type = GBEvolution
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 125 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 #m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 #eV for copper from Schoenfelder1997
-    GBenergy = 0.708 #J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 #m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 #eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 #J/m^2 from schonfelder1997molecular bibtex entry
   []
 []
 

diff --git a/modules/phase_field/test/tests/GBType/GB_Type_Phase1.i b/modules/phase_field/test/tests/GBType/GB_Type_Phase1.i
@@ -184,8 +184,8 @@
   [./CuGrGr]
     # Material properties
     type = GBEvolution # Quantitative material properties for copper grain growth.  Dimensions are nm and ns
-    GBmob0 = 2.5e-6 # Mobility prefactor for Cu from Schonfelder1997
-    GBenergy = 0.708 # GB energy for Cu from Schonfelder1997
+    GBmob0 = 2.5e-6 # Mobility prefactor for Cu from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # GB energy for Cu from schonfelder1997molecular bibtex entry
     Q = 0.23 # Activation energy for grain growth from Schonfelder 1997
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 6 # Width of the diffuse GB

diff --git a/modules/phase_field/test/tests/grain_tracker_test/distributed_poly_ic.i b/modules/phase_field/test/tests/grain_tracker_test/distributed_poly_ic.i
@@ -222,9 +222,9 @@
     type = GBEvolution
     T = '450' # Constant temperature of the simulation (for mobility calculation)
     wGB = 125 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 # m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 # eV for copper from Schoenfelder1997
-    GBenergy = 0.708 # J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 # m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 # eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # J/m^2 from schonfelder1997molecular bibtex entry
   []
 []
 

diff --git a/...e_field/test/tests/grain_tracker_test/grain_tracker_remapping_linearized_interface_test.i b/...e_field/test/tests/grain_tracker_test/grain_tracker_remapping_linearized_interface_test.i
@@ -58,9 +58,9 @@
     type = GBEvolution
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 100 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 # m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 # eV for copper from Schoenfelder1997
-    GBenergy = 0.708 # J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 # m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 # eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # J/m^2 from schonfelder1997molecular bibtex entry
   []
 []
 

diff --git a/modules/phase_field/test/tests/grain_tracker_test/grain_tracker_remapping_test.i b/modules/phase_field/test/tests/grain_tracker_test/grain_tracker_remapping_test.i
@@ -236,9 +236,9 @@
     type = GBEvolution
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 125 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 # m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 # eV for copper from Schoenfelder1997
-    GBenergy = 0.708 # J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 # m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 # eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # J/m^2 from schonfelder1997molecular bibtex entry
   [../]
 []
 

diff --git a/modules/phase_field/test/tests/grain_tracker_test/grain_tracker_volume_changing.i b/modules/phase_field/test/tests/grain_tracker_test/grain_tracker_volume_changing.i
@@ -227,9 +227,9 @@
     type = GBEvolution
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 125 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 # m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 # eV for copper from Schoenfelder1997
-    GBenergy = 0.708 # J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 # m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 # eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 # J/m^2 from schonfelder1997molecular bibtex entry
   [../]
 []
 

diff --git a/modules/phase_field/test/tests/initial_conditions/TricrystalTripleJunctionIC.i b/modules/phase_field/test/tests/initial_conditions/TricrystalTripleJunctionIC.i
@@ -83,9 +83,9 @@
     type = GBEvolution
     T = 450 # Constant temperature of the simulation (for mobility calculation)
     wGB = 14 # Width of the diffuse GB
-    GBmob0 = 2.5e-6 #m^4(Js) for copper from Schoenfelder1997
-    Q = 0.23 #eV for copper from Schoenfelder1997
-    GBenergy = 0.708 #J/m^2 from Schoenfelder1997
+    GBmob0 = 2.5e-6 #m^4(Js) for copper from schonfelder1997molecular bibtex entry
+    Q = 0.23 #eV for copper from schonfelder1997molecular bibtex entry
+    GBenergy = 0.708 #J/m^2 from schonfelder1997molecular bibtex entry
   []
 []
 

diff --git a/modules/phase_field/test/tests/reconstruction/1phase_evolution.i b/modules/phase_field/test/tests/reconstruction/1phase_evolution.i
@@ -79,7 +79,7 @@
     # Material properties
     type = GBEvolution # Quantitative material properties for copper grain growth.  Dimensions are nm and ns
     block = 0 # Block ID (only one block in this problem)
-    GBmob0 = 2.5e-6 #Mobility prefactor for Cu from Schonfelder1997
+    GBmob0 = 2.5e-6 #Mobility prefactor for Cu from schonfelder1997molecular bibtex entry
     GBenergy = 0.708 # GB energy in J/m^2
     Q = 0.23 #Activation energy for grain growth from Schonfelder 1997
     T = 500 # K   #Constant temperature of the simulation (for mobility calculation)