From a587e707040b46934a426841e43710d161a1fddc Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Sun, 28 Mar 2021 11:37:47 +0200
Subject: [PATCH] split into small sections and test damage

---
 PRIVATE                                               |  2 +-
 .../Phase_None_IsotropicVolumePreservation.config     |  8 --------
 examples/config/Phase_Nonlocal_Aluminum.config        |  2 --
 examples/config/phase/Al.yaml                         |  4 ++++
 examples/config/phase/Fe.yaml                         |  4 ++++
 examples/config/phase/Ni.yaml                         |  4 ++++
 examples/config/phase/damage/anisobrittle_cubic.yaml  |  8 ++++++++
 .../config/phase/mechanical/elastic/Hooke_Fe.yaml     |  8 ++++++++
 examples/config/phase/thermal/adiabatic.yaml          |  4 ++++
 .../config/phase/thermal/externalheat_adiabatic.yaml  | 11 -----------
 .../phase/thermal/externalheat_fast-convection.yaml   | 11 -----------
 examples/config/phase/thermal/fast-convection.yaml    |  4 ++++
 .../phase/thermal/source/dissipation_generic.yaml     |  2 ++
 .../thermal/source/externalheat_ramp-and-hold.yaml    |  3 +++
 python/damask/_configmaterial.py                      |  2 +-
 15 files changed, 43 insertions(+), 34 deletions(-)
 delete mode 100644 examples/config/Phase_None_IsotropicVolumePreservation.config
 create mode 100644 examples/config/phase/Al.yaml
 create mode 100644 examples/config/phase/Fe.yaml
 create mode 100644 examples/config/phase/Ni.yaml
 create mode 100644 examples/config/phase/damage/anisobrittle_cubic.yaml
 create mode 100644 examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
 create mode 100644 examples/config/phase/thermal/adiabatic.yaml
 delete mode 100644 examples/config/phase/thermal/externalheat_adiabatic.yaml
 delete mode 100644 examples/config/phase/thermal/externalheat_fast-convection.yaml
 create mode 100644 examples/config/phase/thermal/fast-convection.yaml
 create mode 100644 examples/config/phase/thermal/source/dissipation_generic.yaml
 create mode 100644 examples/config/phase/thermal/source/externalheat_ramp-and-hold.yaml

diff --git a/PRIVATE b/PRIVATE
index c55d060b4..4d7be2f3a 160000
--- a/PRIVATE
+++ b/PRIVATE
@@ -1 +1 @@
-Subproject commit c55d060b409c8a610b7fe8722fb756c1ed93c7ad
+Subproject commit 4d7be2f3a65e709ecd04b60ac0abd352f4c2208e
diff --git a/examples/config/Phase_None_IsotropicVolumePreservation.config b/examples/config/Phase_None_IsotropicVolumePreservation.config
deleted file mode 100644
index 46c99985f..000000000
--- a/examples/config/Phase_None_IsotropicVolumePreservation.config
+++ /dev/null
@@ -1,8 +0,0 @@
-[IsotropicVolumePreservation]                                                                                          
-elasticity          hooke                                                                           
-plasticity          none
-                                                                                                    
-### Material parameters ###                                                                         
-lattice_structure     iso
-C11                   100.0e9
-C12                    66.6666667e9  
diff --git a/examples/config/Phase_Nonlocal_Aluminum.config b/examples/config/Phase_Nonlocal_Aluminum.config
index 500dcf69d..c69d2fd67 100644
--- a/examples/config/Phase_Nonlocal_Aluminum.config
+++ b/examples/config/Phase_Nonlocal_Aluminum.config
@@ -1,6 +1,4 @@
 [Aluminum]
-
-elasticity              hooke
 plasticity              nonlocal
 /nonlocal/
 
diff --git a/examples/config/phase/Al.yaml b/examples/config/phase/Al.yaml
new file mode 100644
index 000000000..9d6daf88f
--- /dev/null
+++ b/examples/config/phase/Al.yaml
@@ -0,0 +1,4 @@
+lattice: cF
+rho: 2700
+references:
+  - en.wikipedia.org/wiki/Aluminium
diff --git a/examples/config/phase/Fe.yaml b/examples/config/phase/Fe.yaml
new file mode 100644
index 000000000..e8d39fdbe
--- /dev/null
+++ b/examples/config/phase/Fe.yaml
@@ -0,0 +1,4 @@
+lattice: cI
+rho: 7874
+references:
+  - en.wikipedia.org/wiki/Iron
diff --git a/examples/config/phase/Ni.yaml b/examples/config/phase/Ni.yaml
new file mode 100644
index 000000000..49adb9e11
--- /dev/null
+++ b/examples/config/phase/Ni.yaml
@@ -0,0 +1,4 @@
+lattice: cF
+rho: 8908
+references:
+  - en.wikipedia.org/wiki/Nickel
diff --git a/examples/config/phase/damage/anisobrittle_cubic.yaml b/examples/config/phase/damage/anisobrittle_cubic.yaml
new file mode 100644
index 000000000..410bcf2c3
--- /dev/null
+++ b/examples/config/phase/damage/anisobrittle_cubic.yaml
@@ -0,0 +1,8 @@
+N_cl: [3]
+dot_o: 1e-3
+g_crit: [0.50e7]
+q: 20
+s_crit: [0.006666]
+type: anisobrittle
+D_11: 1.0
+M: 0.001
diff --git a/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml b/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
new file mode 100644
index 000000000..0e5d7db5c
--- /dev/null
+++ b/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
@@ -0,0 +1,8 @@
+type: Hooke
+references:
+  - J.P. Hirth and J. Lothe,
+    Theory of Dislocations, 1982,
+    John Wiley & Sons
+C_11: 242e9
+C_12: 146.5e9
+C_44: 11.2e9
diff --git a/examples/config/phase/thermal/adiabatic.yaml b/examples/config/phase/thermal/adiabatic.yaml
new file mode 100644
index 000000000..c0956cb0d
--- /dev/null
+++ b/examples/config/phase/thermal/adiabatic.yaml
@@ -0,0 +1,4 @@
+c_p: 1
+K_11: 0
+K_22: 0
+K_33: 0
diff --git a/examples/config/phase/thermal/externalheat_adiabatic.yaml b/examples/config/phase/thermal/externalheat_adiabatic.yaml
deleted file mode 100644
index e34f4fc5b..000000000
--- a/examples/config/phase/thermal/externalheat_adiabatic.yaml
+++ /dev/null
@@ -1,11 +0,0 @@
-adiabatic:
-  rho: 1
-  thermal:
-    c_p: 1
-    K_11: 0
-    K_22: 0
-    K_33: 0
-    source:
-      - type: externalheat
-        f_T: [1, 1, 0, 0]
-        t_n: [0, 500, 500.001, 1000]
diff --git a/examples/config/phase/thermal/externalheat_fast-convection.yaml b/examples/config/phase/thermal/externalheat_fast-convection.yaml
deleted file mode 100644
index c7f2df61b..000000000
--- a/examples/config/phase/thermal/externalheat_fast-convection.yaml
+++ /dev/null
@@ -1,11 +0,0 @@
-fast-convection:
-  rho: 1
-  thermal:
-    c_p: 1
-    K_11: 1e30
-    K_22: 1e30
-    K_33: 1e30
-    source:
-      - type: externalheat
-        f_T: [1, 1, 0, 0]
-        t_n: [0, 500, 500.001, 1000]
diff --git a/examples/config/phase/thermal/fast-convection.yaml b/examples/config/phase/thermal/fast-convection.yaml
new file mode 100644
index 000000000..c266acf1e
--- /dev/null
+++ b/examples/config/phase/thermal/fast-convection.yaml
@@ -0,0 +1,4 @@
+c_p: 1
+K_11: 1e30
+K_22: 1e30
+K_33: 1e30
diff --git a/examples/config/phase/thermal/source/dissipation_generic.yaml b/examples/config/phase/thermal/source/dissipation_generic.yaml
new file mode 100644
index 000000000..af5214582
--- /dev/null
+++ b/examples/config/phase/thermal/source/dissipation_generic.yaml
@@ -0,0 +1,2 @@
+type: dissipation
+kappa: .9
diff --git a/examples/config/phase/thermal/source/externalheat_ramp-and-hold.yaml b/examples/config/phase/thermal/source/externalheat_ramp-and-hold.yaml
new file mode 100644
index 000000000..333ece989
--- /dev/null
+++ b/examples/config/phase/thermal/source/externalheat_ramp-and-hold.yaml
@@ -0,0 +1,3 @@
+type: externalheat
+f_T: [1, 1, 0, 0]
+t_n: [0, 500, 500.001, 1000]
diff --git a/python/damask/_configmaterial.py b/python/damask/_configmaterial.py
index 2d57b268d..e2762be4d 100644
--- a/python/damask/_configmaterial.py
+++ b/python/damask/_configmaterial.py
@@ -16,9 +16,9 @@ class ConfigMaterial(Config):
     A complete material configuration file has the entries 'material',
     'phase', and 'homogenization'. For use in DAMASK, it needs to be
     stored as 'material.yaml'.
+    
     """
 
-
     def __init__(self,d=None):
         """
         New material configuration.