Merge branch 'development' into fix_homogenization_restart

VERSION

@@ -1 +1 @@
-v3.0.0-alpha2-407-g47f52b909
+v3.0.0-alpha2-478-gc9e4dc21f

examples/SpectralMethod/Polycrystal/shearXY.yaml

@@ -1,9 +0,0 @@
-step:
-  - mechanics:
-      dot_F: [0,    0, 0,
-              1e-3, 0, 0,
-              0,    0, 0]
-    discretization:
-      t: 60
-      N: 120
-      f_out: 20

examples/SpectralMethod/Polycrystal/shearZX.yaml

@@ -1,10 +0,0 @@
----
-step:
-  - mechanics:
-      dot_F: [0, 0, 1e-3,
-              0, 0,    0,
-              0, 0,    0]
-    discretization:
-      t: 60
-      N: 120
-      f_out: 20

examples/SpectralMethod/Polycrystal/tensionX.yaml

@@ -1,25 +0,0 @@
----
-
-step:
-  - mechanics:
-      dot_F: [1.0e-3, 0, 0,
-              0,      x, 0,
-              0,      0, x]
-      P: [x, x, x,
-          x, 0, x,
-          x, x, 0]
-    discretization:
-      t: 10
-      N: 40
-      f_out: 4
-  - mechanics:
-      dot_F: [1.0e-3, 0, 0,
-              0,      x, 0,
-              0,      0, x]
-      P: [x, x, x,
-          x, 0, x,
-          x, x, 0]
-    discretization:
-      t: 60
-      N: 60
-      f_out: 4

examples/grid/material.yaml

@@ -2,108 +2,108 @@
 homogenization:
   SX:
     N_constituents: 1
-    mechanics: {type: none}
+    mechanics: {type: pass}
 
 material:
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [1.0, 0.0, 0.0, 0.0]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.33012772942625784, -0.6781865350268957, 0.6494525351030648, 0.09638521992649676]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.43596817439583935, -0.5982537129781701, 0.046599032277502436, 0.6707106499919265]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.169734823419553, -0.699615227367322, -0.6059581215838098, -0.33844257746495854]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.9698864809294915, 0.1729052643205874, -0.15948307917616958, 0.06315956884687175]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.46205660912967883, 0.3105054068891252, -0.617849551030653, 0.555294529545738]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.4512443497461787, -0.7636045534540555, -0.04739348426715133, -0.45939142396805815]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.2161856212656443, -0.6581450184826598, -0.5498086209601588, 0.4667112513346289]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.8753220715350803, -0.4561599367657419, -0.13298279533852678, -0.08969369719975541]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.11908260752431069, 0.18266024809834172, -0.7144822594012615, -0.664807992845101]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.751104669484278, 0.5585633382623958, -0.34579336397009175, 0.06538900566860861]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.08740438971703973, 0.8991264096610437, -0.4156704205935976, 0.10559485570696363]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.5584325870096193, 0.6016408353068798, -0.14280340445801173, 0.5529814994483859]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.4052725440888093, 0.25253073423599154, 0.5693263597910454, -0.669215876471182]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.7570164606888676, 0.15265448024694664, -0.5998021466848317, 0.20942796551297105]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.6987659297138081, -0.132172211261028, -0.19693254724422338, 0.6748883269678543]
   - homogenization: SX
     constituents:
       - phase: Aluminum
-        fraction: 1.0
+        v: 1.0
         O: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
 
 phase:

examples/grid/shearXY.yaml

@@ -0,0 +1,15 @@
+---
+
+solver:
+  mechanical: spectral_basic
+
+loadstep:
+  - boundary_conditions:
+      mechanical:
+        dot_F: [0,    0, 0,
+                1e-3, 0, 0,
+                0,    0, 0]
+    discretization:
+      t: 60
+      N: 120
+    f_out: 20

examples/grid/shearZX.yaml

@@ -0,0 +1,15 @@
+---
+
+solver:
+  mechanical: spectral_basic
+
+loadstep:
+  - boundary_conditions:
+      mechanical:
+        dot_F: [0, 0, 1e-3,
+                0, 0,    0,
+                0, 0,    0]
+    discretization:
+      t: 60
+      N: 120
+    f_out: 20

examples/grid/tensionX.yaml

@@ -0,0 +1,30 @@
+---
+
+solver:
+  mechanical: spectral_basic
+
+loadstep:
+  - boundary_conditions:
+      mechanical:
+        dot_F: [1.0e-3, 0, 0,
+                0,      x, 0,
+                0,      0, x]
+        P: [x, x, x,
+            x, 0, x,
+            x, x, 0]
+    discretization:
+      t: 10
+      N: 40
+    f_out: 4
+  - boundary_conditions:
+      mechanical:
+        dot_F: [1.0e-3, 0, 0,
+                0,      x, 0,
+                0,      0, x]
+        P: [x, x, x,
+            x, 0, x,
+            x, x, 0]
+    discretization:
+      t: 60
+      N: 60
+    f_out: 4

python/damask/_colormap.py

@@ -223,25 +223,46 @@ class Colormap(mpl.colors.ListedColormap):
         return Colormap(np.array(rev.colors),rev.name[:-4] if rev.name.endswith('_r_r') else rev.name)
 
 
+    def _get_file_handle(self,fname,extension):
+        """
+        Provide file handle.
+
+        Parameters
+        ----------
+        fname : file, str, pathlib.Path, or None
+            Filename or filehandle, will be name of the colormap+extension if None.
+
+        extension: str
+            Extension of the filename.
+
+        Returns
+        -------
+        f
+            File handle
+
+        """
+        if fname is None:
+            fhandle = open(self.name.replace(' ','_')+'.'+extension,'w',newline='\n')
+        else:
+            try:
+                fhandle = open(fname,'w',newline='\n')
+            except TypeError:
+                fhandle = fname
+
+        return fhandle
+
+
     def save_paraview(self,fname=None):
         """
         Save as JSON file for use in Paraview.
 
         Parameters
         ----------
-        fname : file, str, or pathlib.Path, optional.
+        fname : file, str, or pathlib.Path, optional
             Filename to store results. If not given, the filename will
             consist of the name of the colormap and extension '.json'.
 
         """
-        if fname is None:
-            fhandle = None
-        else:
-            try:
-                fhandle = open(fname,'w')
-            except TypeError:
-                fhandle = fname
-
         colors = []
         for i,c in enumerate(np.round(self.colors,6).tolist()):
             colors+=[i]+c
@@ -254,8 +275,7 @@ class Colormap(mpl.colors.ListedColormap):
                 'RGBPoints':colors
                }]
 
-        with open(self.name.replace(' ','_')+'.json', 'w') if fhandle is None else fhandle as f:
+        json.dump(out,self._get_file_handle(fname,'json'),indent=4)
-            json.dump(out, f,indent=4)
 
 
     def save_ASCII(self,fname=None):
@@ -264,24 +284,14 @@ class Colormap(mpl.colors.ListedColormap):
 
         Parameters
         ----------
-        fname : file, str, or pathlib.Path, optional.
+        fname : file, str, or pathlib.Path, optional
             Filename to store results. If not given, the filename will
             consist of the name of the colormap and extension '.txt'.
 
         """
-        if fname is None:
-            fhandle = None
-        else:
-            try:
-                fhandle = open(fname,'w')
-            except TypeError:
-                fhandle = fname
-
         labels = {'RGBA':4} if self.colors.shape[1] == 4 else {'RGB': 3}
         t = Table(self.colors,labels,f'Creator: {util.execution_stamp("Colormap")}')
-
+        t.save(self._get_file_handle(fname,'txt'))
-        with open(self.name.replace(' ','_')+'.txt', 'w') if fhandle is None else fhandle as f:
-            t.save(f)
 
 
     def save_GOM(self,fname=None):
@@ -290,26 +300,19 @@ class Colormap(mpl.colors.ListedColormap):
 
         Parameters
         ----------
-        fname : file, str, or pathlib.Path, optional.
+        fname : file, str, or pathlib.Path, optional
             Filename to store results. If not given, the filename will
             consist of the name of the colormap and extension '.legend'.
 
         """
-        if fname is None:
-            fhandle = None
-        else:
-            try:
-                fhandle = open(fname,'w')
-            except TypeError:
-                fhandle = fname
         # ToDo: test in GOM
         GOM_str = '1 1 {name} 9 {name} '.format(name=self.name.replace(" ","_")) \
                 +  '0 1 0 3 0 0 -1 9 \\ 0 0 0 255 255 255 0 0 255 ' \
                 + f'30 NO_UNIT 1 1 64 64 64 255 1 0 0 0 0 0 0 3 0 {len(self.colors)}' \
                 + ' '.join([f' 0 {c[0]} {c[1]} {c[2]} 255 1' for c in reversed((self.colors*255).astype(int))]) \
                 + '\n'
-        with open(self.name.replace(' ','_')+'.legend', 'w') if fhandle is None else fhandle as f:
+
-            f.write(GOM_str)
+        self._get_file_handle(fname,'legend').write(GOM_str)
 
 
     def save_gmsh(self,fname=None):
@@ -318,24 +321,16 @@ class Colormap(mpl.colors.ListedColormap):
 
         Parameters
         ----------
-        fname : file, str, or pathlib.Path, optional.
+        fname : file, str, or pathlib.Path, optional
             Filename to store results. If not given, the filename will
             consist of the name of the colormap and extension '.msh'.
 
         """
-        if fname is None:
-            fhandle = None
-        else:
-            try:
-                fhandle = open(fname,'w')
-            except TypeError:
-                fhandle = fname
         # ToDo: test in gmsh
         gmsh_str = 'View.ColorTable = {\n' \
                  +'\n'.join([f'{c[0]},{c[1]},{c[2]},' for c in self.colors[:,:3]*255]) \
                  +'\n}\n'
-        with open(self.name.replace(' ','_')+'.msh', 'w') if fhandle is None else fhandle as f:
+        self._get_file_handle(fname,'msh').write(gmsh_str)
-            f.write(gmsh_str)
 
 
     @staticmethod

python/damask/_config.py

@@ -75,7 +75,7 @@ class Config(dict):
 
         """
         try:
-            fhandle = open(fname,'w')
+            fhandle = open(fname,'w',newline='\n')
         except TypeError:
             fhandle = fname
 

python/damask/_configmaterial.py

@@ -74,12 +74,12 @@ class ConfigMaterial(Config):
         material:
           - constituents:
               - O: [0.19, 0.8, 0.24, -0.51]
-                fraction: 1.0
+                v: 1.0
                 phase: Aluminum
             homogenization: SX
           - constituents:
               - O: [0.8, 0.19, 0.24, -0.51]
-                fraction: 1.0
+                v: 1.0
                 phase: Steel
             homogenization: SX
         homogenization: {}
@@ -168,11 +168,11 @@ class ConfigMaterial(Config):
                         ok = False
 
         if 'material' in self:
-            for i,v in enumerate(self['material']):
+            for i,m in enumerate(self['material']):
-                if 'constituents' in v:
+                if 'constituents' in m:
-                    f = 0.0
+                    v = 0.0
-                    for c in v['constituents']:
+                    for c in m['constituents']:
-                        f+= float(c['fraction'])
+                        v+= float(c['v'])
                         if 'O' in c:
                             try:
                                 Rotation.from_quaternion(c['O'])
@@ -180,8 +180,8 @@ class ConfigMaterial(Config):
                                 o = c['O']
                                 print(f"Invalid orientation: '{o}' in material '{i}'")
                                 ok = False
-                    if not np.isclose(f,1.0):
+                    if not np.isclose(v,1.0):
-                        print(f"Invalid total fraction '{f}' in material '{i}'")
+                        print(f"Invalid total fraction (v) '{v}' in material '{i}'")
                         ok = False
 
         return ok
@@ -257,17 +257,17 @@ class ConfigMaterial(Config):
         material:
           - constituents:
               - O: [0.577764, -0.146299, -0.617669, 0.513010]
-                fraction: 1.0
+                v: 1.0
                 phase: Aluminum
             homogenization: SX
           - constituents:
               - O: [0.184176, 0.340305, 0.737247, 0.553840]
-                fraction: 1.0
+                v: 1.0
                 phase: Steel
             homogenization: SX
           - constituents:
               - O: [0.0886257, -0.144848, 0.615674, -0.769487]
-                fraction: 1.0
+                v: 1.0
                 phase: Aluminum
             homogenization: SX
         homogenization: {}
@@ -312,7 +312,7 @@ class ConfigMaterial(Config):
             if hasattr(v,'__len__') and not isinstance(v,str): N_material = len(v)
 
         if N == 1:
-            m = [[{'fraction':1.0}] for _ in range(N_material)]
+            m = [[{'v':1.0}] for _ in range(N_material)]
             for k,v in kwargs.items():
                 if hasattr(v,'__len__') and not isinstance(v,str):
                     if len(v) != N_material:

python/damask/_orientation.py

@@ -1,3 +1,5 @@
+import inspect
+
 import numpy as np
 
 from . import Rotation
@@ -7,7 +9,7 @@ from . import tensor
 _parameter_doc = \
        """lattice : str
             Either a crystal family  out of [triclinic, monoclinic, orthorhombic, tetragonal, hexagonal, cubic]
-            or a     Bravais lattice out of [aP, mP, mS, oP, oS, oI, oF, tP, tI, hP, cP, cI, cF].
+            or     a Bravais lattice out of [aP, mP, mS, oP, oS, oI, oF, tP, tI, hP, cP, cI, cF].
             When specifying a Bravais lattice, additional lattice parameters might be required:
         a : float, optional
             Length of lattice parameter "a".
@@ -107,8 +109,7 @@ class Orientation(Rotation):
                  lattice = None,
                  a = None,b = None,c = None,
                  alpha = None,beta = None,gamma = None,
-                 degrees = False,
+                 degrees = False):
-                 **kwargs):
         """
         Initialize orientation object.
 
@@ -263,70 +264,112 @@ class Orientation(Rotation):
             raise TypeError('Use "O@b", i.e. matmul, to apply Orientation "O" to object "b"')
 
 
+    @staticmethod
+    def _split_kwargs(kwargs,target):
+        """
+        Separate keyword arguments in 'kwargs' targeted at 'target' from general keyword arguments of Orientation objects.
+
+        Parameters
+        ----------
+        kwargs : dictionary
+            Contains all **kwargs.
+        target: method
+            Function to scan for kwarg signature.
+
+        Returns
+        -------
+        rot_kwargs: dictionary
+            Valid keyword arguments of 'target' function of Rotation class.
+        ori_kwargs: dictionary
+            Valid keyword arguments of Orientation object.
+
+        """
+        kws = ()
+        for t in (target,Orientation.__init__):
+            kws += ({key: kwargs[key] for key in set(inspect.signature(t).parameters) & set(kwargs)},)
+
+        invalid_keys = set(kwargs)-(set(kws[0])|set(kws[1]))
+        if invalid_keys:
+            raise TypeError(f"{inspect.stack()[1][3]}() got an unexpected keyword argument '{invalid_keys.pop()}'")
+
+        return kws
+
+
     @classmethod
     @util.extended_docstring(Rotation.from_random,_parameter_doc)
     def from_random(cls,**kwargs):
-        return cls(rotation=Rotation.from_random(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_random)
+        return cls(rotation=Rotation.from_random(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_quaternion,_parameter_doc)
     def from_quaternion(cls,**kwargs):
-        return cls(rotation=Rotation.from_quaternion(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_quaternion)
+        return cls(rotation=Rotation.from_quaternion(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_Euler_angles,_parameter_doc)
     def from_Euler_angles(cls,**kwargs):
-        return cls(rotation=Rotation.from_Euler_angles(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Euler_angles)
+        return cls(rotation=Rotation.from_Euler_angles(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_axis_angle,_parameter_doc)
     def from_axis_angle(cls,**kwargs):
-        return cls(rotation=Rotation.from_axis_angle(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_axis_angle)
+        return cls(rotation=Rotation.from_axis_angle(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_basis,_parameter_doc)
     def from_basis(cls,**kwargs):
-        return cls(rotation=Rotation.from_basis(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_basis)
+        return cls(rotation=Rotation.from_basis(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_matrix,_parameter_doc)
     def from_matrix(cls,**kwargs):
-        return cls(rotation=Rotation.from_matrix(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_matrix)
+        return cls(rotation=Rotation.from_matrix(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_Rodrigues_vector,_parameter_doc)
     def from_Rodrigues_vector(cls,**kwargs):
-        return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Rodrigues_vector)
+        return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_homochoric,_parameter_doc)
     def from_homochoric(cls,**kwargs):
-        return cls(rotation=Rotation.from_homochoric(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_homochoric)
+        return cls(rotation=Rotation.from_homochoric(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_cubochoric,_parameter_doc)
     def from_cubochoric(cls,**kwargs):
-        return cls(rotation=Rotation.from_cubochoric(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_cubochoric)
+        return cls(rotation=Rotation.from_cubochoric(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_spherical_component,_parameter_doc)
     def from_spherical_component(cls,**kwargs):
-        return cls(rotation=Rotation.from_spherical_component(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_spherical_component)
+        return cls(rotation=Rotation.from_spherical_component(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
     @util.extended_docstring(Rotation.from_fiber_component,_parameter_doc)
     def from_fiber_component(cls,**kwargs):
-        return cls(rotation=Rotation.from_fiber_component(**kwargs),**kwargs)
+        kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_fiber_component)
+        return cls(rotation=Rotation.from_fiber_component(**kwargs_rot),**kwargs_ori)
 
 
     @classmethod
@@ -481,26 +524,26 @@ class Orientation(Rotation):
         if self.family is None:
             raise ValueError('Missing crystal symmetry')
 
-        rho_abs = np.abs(self.as_Rodrigues_vector(compact=True))
+        rho_abs = np.abs(self.as_Rodrigues_vector(compact=True))*(1.-1.e-9)
 
         with np.errstate(invalid='ignore'):
             # using '*'/prod for 'and'
             if   self.family == 'cubic':
                 return (np.prod(np.sqrt(2)-1. >= rho_abs,axis=-1) *
-                                   (1. >= np.sum(rho_abs,axis=-1))).astype(np.bool)
+                                   (1. >= np.sum(rho_abs,axis=-1))).astype(bool)
             elif self.family == 'hexagonal':
                 return (np.prod(1.  >= rho_abs,axis=-1) *
                                 (2. >= np.sqrt(3)*rho_abs[...,0] + rho_abs[...,1]) *
                                 (2. >= np.sqrt(3)*rho_abs[...,1] + rho_abs[...,0]) *
-                                (2. >= np.sqrt(3)                + rho_abs[...,2])).astype(np.bool)
+                                (2. >= np.sqrt(3)                + rho_abs[...,2])).astype(bool)
             elif self.family == 'tetragonal':
                 return (np.prod(1.  >= rho_abs[...,:2],axis=-1) *
                         (np.sqrt(2) >= rho_abs[...,0] + rho_abs[...,1]) *
-                        (np.sqrt(2) >= rho_abs[...,2] + 1.)).astype(np.bool)
+                        (np.sqrt(2) >= rho_abs[...,2] + 1.)).astype(bool)
             elif self.family == 'orthorhombic':
-                return (np.prod(1. >= rho_abs,axis=-1)).astype(np.bool)
+                return (np.prod(1. >= rho_abs,axis=-1)).astype(bool)
             elif self.family == 'monoclinic':
-                return (1. >= rho_abs[...,1]).astype(np.bool)
+                return (1. >= rho_abs[...,1]).astype(bool)
             else:
                 return np.all(np.isfinite(rho_abs),axis=-1)
 
@@ -524,28 +567,28 @@ class Orientation(Rotation):
         if self.family is None:
             raise ValueError('Missing crystal symmetry')
 
-        rho = self.as_Rodrigues_vector(compact=True)
+        rho = self.as_Rodrigues_vector(compact=True)*(1.0-1.0e-9)
 
         with np.errstate(invalid='ignore'):
             if   self.family == 'cubic':
                 return ((rho[...,0] >= rho[...,1]) &
                         (rho[...,1] >= rho[...,2]) &
-                        (rho[...,2] >= 0)).astype(np.bool)
+                        (rho[...,2] >= 0)).astype(bool)
             elif self.family == 'hexagonal':
                 return ((rho[...,0] >= rho[...,1]*np.sqrt(3)) &
                         (rho[...,1] >= 0) &
-                        (rho[...,2] >= 0)).astype(np.bool)
+                        (rho[...,2] >= 0)).astype(bool)
             elif self.family == 'tetragonal':
                 return ((rho[...,0] >= rho[...,1]) &
                         (rho[...,1] >= 0) &
-                        (rho[...,2] >= 0)).astype(np.bool)
+                        (rho[...,2] >= 0)).astype(bool)
             elif self.family == 'orthorhombic':
                 return ((rho[...,0] >= 0) &
                         (rho[...,1] >= 0) &
-                        (rho[...,2] >= 0)).astype(np.bool)
+                        (rho[...,2] >= 0)).astype(bool)
             elif self.family == 'monoclinic':
                 return ((rho[...,1] >= 0) &
-                        (rho[...,2] >= 0)).astype(np.bool)
+                        (rho[...,2] >= 0)).astype(bool)
             else:
                 return np.ones_like(rho[...,0],dtype=bool)
 

python/damask/_result.py

@@ -1287,7 +1287,7 @@ class Result:
                                                                                                       np.prod(shape))}
                                 data_items[-1].text=f'{os.path.split(self.fname)[1]}:{name}'
 
-        with open(self.fname.with_suffix('.xdmf').name,'w') as f:
+        with open(self.fname.with_suffix('.xdmf').name,'w',newline='\n') as f:
             f.write(xml.dom.minidom.parseString(ET.tostring(xdmf).decode()).toprettyxml())
 
 

python/damask/_rotation.py

@@ -502,8 +502,8 @@ class Rotation:
 
         Returns
         -------
-        c : numpy.ndarray of shape (...,3)
+        x : numpy.ndarray of shape (...,3)
-              Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
+              Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
 
         """
         return Rotation._qu2cu(self.quaternion)
@@ -514,8 +514,7 @@ class Rotation:
     @staticmethod
     def from_quaternion(q,
                         accept_homomorph = False,
-                        P = -1,
+                        P = -1):
-                        **kwargs):
         """
         Initialize from quaternion.
 
@@ -550,8 +549,7 @@ class Rotation:
 
     @staticmethod
     def from_Euler_angles(phi,
-                          degrees = False,
+                          degrees = False):
-                          **kwargs):
         """
         Initialize from Bunge-Euler angles.
 
@@ -578,8 +576,7 @@ class Rotation:
     def from_axis_angle(axis_angle,
                         degrees = False,
                         normalize = False,
-                        P = -1,
+                        P = -1):
-                        **kwargs):
         """
         Initialize from Axis angle pair.
 
@@ -616,8 +613,7 @@ class Rotation:
     @staticmethod
     def from_basis(basis,
                    orthonormal = True,
-                   reciprocal = False,
+                   reciprocal = False):
-                   **kwargs):
         """
         Initialize from lattice basis vectors.
 
@@ -651,7 +647,7 @@ class Rotation:
         return Rotation(Rotation._om2qu(om))
 
     @staticmethod
-    def from_matrix(R,**kwargs):
+    def from_matrix(R):
         """
         Initialize from rotation matrix.
 
@@ -695,8 +691,7 @@ class Rotation:
     @staticmethod
     def from_Rodrigues_vector(rho,
                               normalize = False,
-                              P = -1,
+                              P = -1):
-                              **kwargs):
         """
         Initialize from Rodrigues-Frank vector (angle separated from axis).
 
@@ -727,8 +722,7 @@ class Rotation:
 
     @staticmethod
     def from_homochoric(h,
-                        P = -1,
+                        P = -1):
-                        **kwargs):
         """
         Initialize from homochoric vector.
 
@@ -754,21 +748,20 @@ class Rotation:
         return Rotation(Rotation._ho2qu(ho))
 
     @staticmethod
-    def from_cubochoric(c,
+    def from_cubochoric(x,
-                        P = -1,
+                        P = -1):
-                        **kwargs):
         """
         Initialize from cubochoric vector.
 
         Parameters
         ----------
-        c : numpy.ndarray of shape (...,3)
+        x : numpy.ndarray of shape (...,3)
-            Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
+            Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
         P : int ∈ {-1,1}, optional
             Convention used. Defaults to -1.
 
         """
-        cu = np.array(c,dtype=float)
+        cu = np.array(x,dtype=float)
         if cu.shape[:-2:-1] != (3,):
             raise ValueError('Invalid shape.')
         if abs(P) != 1:
@@ -784,8 +777,7 @@ class Rotation:
 
     @staticmethod
     def from_random(shape = None,
-                    rng_seed = None,
+                    rng_seed = None):
-                    **kwargs):
         """
         Draw random rotation.
 
@@ -878,8 +870,7 @@ class Rotation:
                                  sigma,
                                  N = 500,
                                  degrees = True,
-                                 rng_seed = None,
+                                 rng_seed = None):
-                                 **kwargs):
         """
         Calculate set of rotations with Gaussian distribution around center.
 
@@ -915,8 +906,7 @@ class Rotation:
                              sigma = 0.0,
                              N = 500,
                              degrees = True,
-                             rng_seed = None,
+                             rng_seed = None):
-                             **kwargs):
         """
         Calculate set of rotations with Gaussian distribution around direction.
 

python/damask/_table.py

@@ -26,7 +26,7 @@ class Table:
         comments_ = [comments] if isinstance(comments,str) else comments
         self.comments = [] if comments_ is None else [c for c in comments_]
         self.data = pd.DataFrame(data=data)
-        self.shapes = { k:(v,) if isinstance(v,(np.int,int)) else v for k,v in shapes.items() }
+        self.shapes = { k:(v,) if isinstance(v,(np.int64,np.int32,int)) else v for k,v in shapes.items() }
         self._label_uniform()
 
     def __repr__(self):
@@ -380,7 +380,7 @@ class Table:
                   [f'# {comment}' for comment in self.comments]
 
         try:
-            fhandle = open(fname,'w')
+            fhandle = open(fname,'w',newline='\n')
         except TypeError:
             fhandle = fname
 

python/damask/_vtk.py

@@ -347,23 +347,21 @@ class VTK:
 
         See http://compilatrix.com/article/vtk-1 for further ideas.
         """
-        def screen_size():
+        try:
+            import wx
+            _ = wx.App(False)                                                                       # noqa
+            width, height = wx.GetDisplaySize()
+        except ImportError:
             try:
-                import wx
+                import tkinter
-                _ = wx.App(False)                                                                       # noqa
+                tk = tkinter.Tk()
-                width, height = wx.GetDisplaySize()
+                width  = tk.winfo_screenwidth()
-            except ImportError:
+                height = tk.winfo_screenheight()
-                try:
+                tk.destroy()
-                    import tkinter
+            except Exception as e:
-                    tk = tkinter.Tk()
+                width  = 1024
-                    width  = tk.winfo_screenwidth()
+                height =  768
-                    height = tk.winfo_screenheight()
-                    tk.destroy()
-                except Exception as e:
-                    width  = 1024
-                    height =  768
 
-            return (width,height)
         mapper = vtk.vtkDataSetMapper()
         mapper.SetInputData(self.vtk_data)
         actor = vtk.vtkActor()
@@ -377,7 +375,7 @@ class VTK:
         ren.AddActor(actor)
         ren.SetBackground(0.2,0.2,0.2)
 
-        window.SetSize(screen_size[0],screen_size[1])
+        window.SetSize(width,height)
 
         iren = vtk.vtkRenderWindowInteractor()
         iren.SetRenderWindow(window)

python/damask/solver/_marc.py

@@ -66,7 +66,7 @@ class Marc:
 
         if logfile is not None:
             try:
-                f = open(logfile,'w+')
+                f = open(logfile,'w+',newline='\n')
             except TypeError:
                 f = logfile
         else:

python/tests/reference/ConfigMaterial/material.yaml

@@ -1,32 +1,32 @@
 homogenization:
   SX:
     N_constituents: 1
-    mechanics: {type: none}
+    mechanics: {type: pass}
   Taylor:
     N_constituents: 2
     mechanics: {type: isostrain}
 
 material:
   - constituents:
-      - fraction: 1.0
+      - v: 1.0
         O: [1.0, 0.0, 0.0, 0.0]
         phase: Aluminum
     homogenization: SX
   - constituents:
-      - fraction: 1.0
+      - v: 1.0
         O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
         phase: Aluminum
     homogenization: SX
   - constituents:
-      - fraction: 1.0
+      - v: 1.0
         O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
         phase: Aluminum
     homogenization: SX
   - constituents:
-      - fraction: 0.5
+      - v: 0.5
         O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
         phase: Aluminum
-      - fraction: 0.5
+      - v: 0.5
         O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
         phase: Steel
     homogenization: Taylor

python/tests/test_ConfigMaterial.py

@@ -42,7 +42,7 @@ class TestConfigMaterial:
 
     def test_invalid_fraction(self,ref_path):
         material_config = ConfigMaterial.load(ref_path/'material.yaml')
-        material_config['material'][0]['constituents'][0]['fraction']=.9
+        material_config['material'][0]['constituents'][0]['v']=.9
         assert not material_config.is_valid
 
     @pytest.mark.parametrize('item',['homogenization','phase','material'])

python/tests/test_Orientation.py

@@ -7,6 +7,7 @@ from damask import Orientation
 from damask import Table
 from damask import lattice
 from damask import util
+from damask import grid_filters
 
 
 @pytest.fixture
@@ -118,7 +119,7 @@ class TestOrientation:
                    == np.eye(3))
 
     def test_from_cubochoric(self):
-        assert np.all(Orientation.from_cubochoric(c=np.zeros(3),lattice='triclinic').as_matrix()
+        assert np.all(Orientation.from_cubochoric(x=np.zeros(3),lattice='triclinic').as_matrix()
                    == np.eye(3))
 
     def test_from_spherical_component(self):
@@ -141,7 +142,7 @@ class TestOrientation:
                                         dict(lattice='hP',a=1.0             ),
                                         dict(lattice='cI',a=1.0,            ),
                                       ])
-    def test_from_direction(self,kwargs):
+    def test_from_directions(self,kwargs):
         for a,b in np.random.random((10,2,3)):
             c = np.cross(b,a)
             if np.all(np.isclose(c,0)): continue
@@ -151,6 +152,21 @@ class TestOrientation:
             assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
                and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
 
+    @pytest.mark.parametrize('function',[Orientation.from_random,
+                                         Orientation.from_quaternion,
+                                         Orientation.from_Euler_angles,
+                                         Orientation.from_axis_angle,
+                                         Orientation.from_basis,
+                                         Orientation.from_matrix,
+                                         Orientation.from_Rodrigues_vector,
+                                         Orientation.from_homochoric,
+                                         Orientation.from_cubochoric,
+                                         Orientation.from_spherical_component,
+                                         Orientation.from_fiber_component,
+                                         Orientation.from_directions])
+    def test_invalid_from(self,function):
+        with pytest.raises(TypeError):
+            function(c=.1,degrees=True,invalid=66)
 
     def test_negative_angle(self):
         with pytest.raises(ValueError):
@@ -221,6 +237,16 @@ class TestOrientation:
         for r, theO in zip(o.reduced.flatten(),o.flatten()):
             assert r == theO.reduced
 
+    @pytest.mark.parametrize('lattice',Orientation.crystal_families)
+    def test_reduced_corner_cases(self,lattice):
+        # test whether there is always a sym-eq rotation that falls into the FZ
+        N = np.random.randint(10,40)
+        size = np.ones(3)*np.pi**(2./3.)
+        grid = grid_filters.coordinates0_node([N+1,N+1,N+1],size,-size*.5)
+        evenly_distributed = Orientation.from_cubochoric(x=grid[:-2,:-2,:-2],lattice=lattice)
+        assert evenly_distributed.shape == evenly_distributed.reduced.shape
+
+
     @pytest.mark.parametrize('lattice',Orientation.crystal_families)
     @pytest.mark.parametrize('shape',[(1),(2,3),(4,3,2)])
     @pytest.mark.parametrize('vector',np.array([[1,0,0],[1,2,3],[-1,1,-1]]))

src/CPFEM.f90

@@ -85,7 +85,7 @@ subroutine CPFEM_initAll
   call discretization_marc_init
   call lattice_init
   call material_init(.false.)
-  call constitutive_init
+  call phase_init
   call homogenization_init
   call crystallite_init
   call CPFEM_init
@@ -257,7 +257,7 @@ end subroutine CPFEM_general
 subroutine CPFEM_forward
 
   call homogenization_forward
-  call constitutive_forward
+  call phase_forward
 
 end subroutine CPFEM_forward
 
@@ -272,7 +272,7 @@ subroutine CPFEM_results(inc,time)
 
   call results_openJobFile
   call results_addIncrement(inc,time)
-  call constitutive_results
+  call phase_results
   call homogenization_results
   call discretization_results
   call results_finalizeIncrement

src/CPFEM2.f90

@@ -60,7 +60,7 @@ subroutine CPFEM_initAll
   call discretization_grid_init(restart=interface_restartInc>0)
 #endif
   call material_init(restart=interface_restartInc>0)
-  call constitutive_init
+  call phase_init
   call homogenization_init
   call crystallite_init
   call CPFEM_init
@@ -87,7 +87,7 @@ subroutine CPFEM_init
     fileHandle = HDF5_openFile(fileName)
 
     call homogenization_restartRead(fileHandle)
-    call constitutive_restartRead(fileHandle)
+    call phase_restartRead(fileHandle)
 
     call HDF5_closeFile(fileHandle)
   endif
@@ -110,7 +110,7 @@ subroutine CPFEM_restartWrite
   fileHandle = HDF5_openFile(fileName,'a')
 
   call homogenization_restartWrite(fileHandle)
-  call constitutive_restartWrite(fileHandle)
+  call phase_restartWrite(fileHandle)
 
   call HDF5_closeFile(fileHandle)
 
@@ -123,7 +123,7 @@ end subroutine CPFEM_restartWrite
 subroutine CPFEM_forward
 
   call homogenization_forward
-  call constitutive_forward
+  call phase_forward
 
 end subroutine CPFEM_forward
 
@@ -138,7 +138,7 @@ subroutine CPFEM_results(inc,time)
 
   call results_openJobFile
   call results_addIncrement(inc,time)
-  call constitutive_results
+  call phase_results
   call homogenization_results
   call discretization_results
   call results_finalizeIncrement

src/IO.f90

@@ -65,8 +65,8 @@ end subroutine IO_init
 function IO_readlines(fileName) result(fileContent)
 
   character(len=*),          intent(in)                :: fileName
-
   character(len=pStringLen), dimension(:), allocatable :: fileContent                               !< file content, separated per lines
+
   character(len=pStringLen)                            :: line
   character(len=:),                        allocatable :: rawData
   integer ::  &
@@ -75,6 +75,7 @@ function IO_readlines(fileName) result(fileContent)
     l
   logical :: warned
 
+
   rawData = IO_read(fileName)
 
 !--------------------------------------------------------------------------------------------------
@@ -112,16 +113,21 @@ end function IO_readlines
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Read whole file.
-!> @details ensures that the string ends with a new line (expected UNIX behavior)
+!> @details ensures that the string ends with a new line (expected UNIX behavior) and rejects
+! windows (CRLF) line endings
 !--------------------------------------------------------------------------------------------------
 function IO_read(fileName) result(fileContent)
 
   character(len=*),  intent(in) :: fileName
   character(len=:), allocatable :: fileContent
+
   integer ::  &
     fileLength, &
     fileUnit, &
-    myStat
+    myStat, &
+    firstEOL
+  character, parameter :: CR = achar(13)
+
 
   inquire(file = fileName, size=fileLength)
   open(newunit=fileUnit, file=fileName, access='stream',&
@@ -137,8 +143,12 @@ function IO_read(fileName) result(fileContent)
   if(myStat /= 0) call IO_error(102,ext_msg=trim(fileName))
   close(fileUnit)
 
+
   if(fileContent(fileLength:fileLength) /= IO_EOL) fileContent = fileContent//IO_EOL                ! ensure EOL@EOF
 
+  firstEOL = index(fileContent,IO_EOL)
+  if(scan(fileContent(firstEOL:firstEOL),CR) /= 0) call IO_error(115)
+
 end function IO_read
 
 
@@ -151,6 +161,7 @@ logical pure function IO_isBlank(string)
 
   integer :: posNonBlank
 
+
   posNonBlank = verify(string,IO_WHITESPACE)
   IO_isBlank = posNonBlank == 0 .or. posNonBlank == scan(string,IO_COMMENT)
 
@@ -170,6 +181,7 @@ pure function IO_stringPos(string)
 
   integer                      :: left, right
 
+
   allocate(IO_stringPos(1), source=0)
   right = 0
 
@@ -249,6 +261,7 @@ pure function IO_lc(string)
 
   integer :: i,n
 
+
   do i=1,len(string)
     n = index(UPPER,string(i:i))
     if(n/=0) then
@@ -271,6 +284,7 @@ function IO_rmComment(line)
   character(len=:), allocatable :: IO_rmComment
   integer :: split
 
+
   split = index(line,IO_COMMENT)
 
   if (split == 0) then
@@ -292,6 +306,7 @@ integer function IO_stringAsInt(string)
   integer                      :: readStatus
   character(len=*), parameter  :: VALIDCHARS = '0123456789+- '
 
+
   valid: if (verify(string,VALIDCHARS) == 0) then
     read(string,*,iostat=readStatus) IO_stringAsInt
     if (readStatus /= 0) call IO_error(111,ext_msg=string)
@@ -313,6 +328,7 @@ real(pReal) function IO_stringAsFloat(string)
   integer                      :: readStatus
   character(len=*), parameter  :: VALIDCHARS = '0123456789eE.+- '
 
+
   valid: if (verify(string,VALIDCHARS) == 0) then
     read(string,*,iostat=readStatus) IO_stringAsFloat
     if (readStatus /= 0) call IO_error(112,ext_msg=string)
@@ -331,6 +347,7 @@ logical function IO_stringAsBool(string)
 
   character(len=*), intent(in) :: string                                                            !< string for conversion to int value
 
+
   if     (trim(adjustl(string)) == 'True' .or.  trim(adjustl(string)) == 'true') then
     IO_stringAsBool = .true.
   elseif (trim(adjustl(string)) == 'False' .or. trim(adjustl(string)) == 'false') then
@@ -356,6 +373,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
   character(len=:), allocatable :: msg
   character(len=pStringLen)     :: formatString
 
+
   select case (error_ID)
 
 !--------------------------------------------------------------------------------------------------
@@ -382,6 +400,9 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
       msg = 'invalid character for logical:'
     case (114)
       msg = 'cannot decode base64 string:'
+    case (115)
+      msg = 'found CR. Windows file endings (CRLF) are not supported.'
+
 
 !--------------------------------------------------------------------------------------------------
 ! lattice error messages

src/commercialFEM_fileList.f90

@@ -20,19 +20,19 @@
 #include "material.f90"
 #include "lattice.f90"
 #include "phase.f90"
-#include "phase_mechanics.f90"
+#include "phase_mechanical.f90"
-#include "phase_mechanics_plastic.f90"
+#include "phase_mechanical_plastic.f90"
-#include "phase_mechanics_plastic_none.f90"
+#include "phase_mechanical_plastic_none.f90"
-#include "phase_mechanics_plastic_isotropic.f90"
+#include "phase_mechanical_plastic_isotropic.f90"
-#include "phase_mechanics_plastic_phenopowerlaw.f90"
+#include "phase_mechanical_plastic_phenopowerlaw.f90"
-#include "phase_mechanics_plastic_kinehardening.f90"
+#include "phase_mechanical_plastic_kinehardening.f90"
-#include "phase_mechanics_plastic_dislotwin.f90"
+#include "phase_mechanical_plastic_dislotwin.f90"
-#include "phase_mechanics_plastic_dislotungsten.f90"
+#include "phase_mechanical_plastic_dislotungsten.f90"
-#include "phase_mechanics_plastic_nonlocal.f90"
+#include "phase_mechanical_plastic_nonlocal.f90"
-#include "phase_mechanics_eigendeformation.f90"
+#include "phase_mechanical_eigen.f90"
-#include "phase_mechanics_eigendeformation_cleavageopening.f90"
+#include "phase_mechanical_eigen_cleavageopening.f90"
-#include "phase_mechanics_eigendeformation_slipplaneopening.f90"
+#include "phase_mechanical_eigen_slipplaneopening.f90"
-#include "phase_mechanics_eigendeformation_thermalexpansion.f90"
+#include "phase_mechanical_eigen_thermalexpansion.f90"
 #include "phase_thermal.f90"
 #include "phase_thermal_dissipation.f90"
 #include "phase_thermal_externalheat.f90"
@@ -41,13 +41,11 @@
 #include "phase_damage_isoductile.f90"
 #include "phase_damage_anisobrittle.f90"
 #include "phase_damage_anisoductile.f90"
-#include "damage_none.f90"
-#include "damage_nonlocal.f90"
 #include "homogenization.f90"
-#include "homogenization_mechanics.f90"
+#include "homogenization_mechanical.f90"
-#include "homogenization_mechanics_none.f90"
+#include "homogenization_mechanical_pass.f90"
-#include "homogenization_mechanics_isostrain.f90"
+#include "homogenization_mechanical_isostrain.f90"
-#include "homogenization_mechanics_RGC.f90"
+#include "homogenization_mechanical_RGC.f90"
 #include "homogenization_thermal.f90"
 #include "homogenization_damage.f90"
 #include "CPFEM.f90"

src/config.f90

@@ -5,16 +5,10 @@
 !! precedence over material.yaml.
 !--------------------------------------------------------------------------------------------------
 module config
-  use prec
-  use DAMASK_interface
   use IO
   use YAML_parse
   use YAML_types
 
-#ifdef PETSc
-#include <petsc/finclude/petscsys.h>
-   use petscsys
-#endif
 
   implicit none
   private
@@ -50,17 +44,12 @@ end subroutine config_init
 subroutine parse_material
 
   logical :: fileExists
-  character(len=:), allocatable :: fname
 
-  fname = getSolverJobName()//'.yaml'
+
-  inquire(file=fname,exist=fileExists)
+  inquire(file='material.yaml',exist=fileExists)
-  if(.not. fileExists) then
+  if(.not. fileExists) call IO_error(100,ext_msg='material.yaml')
-    fname = 'material.yaml'
+  print*, 'reading material.yaml'; flush(IO_STDOUT)
-    inquire(file=fname,exist=fileExists)
+  config_material => YAML_parse_file('material.yaml')
-    if(.not. fileExists) call IO_error(100,ext_msg=fname)
-  endif
-  print*, 'reading '//fname; flush(IO_STDOUT)
-  config_material => YAML_parse_file(fname)
 
 end subroutine parse_material
 
@@ -72,6 +61,7 @@ subroutine parse_numerics
 
   logical :: fexist
 
+
   config_numerics => emptyDict
   inquire(file='numerics.yaml', exist=fexist)
   if (fexist) then
@@ -89,6 +79,7 @@ subroutine parse_debug
 
   logical :: fexist
 
+
   config_debug => emptyDict
   inquire(file='debug.yaml', exist=fexist)
   fileExists: if (fexist) then

src/damage_none.f90

@@ -1,38 +0,0 @@
-!--------------------------------------------------------------------------------------------------
-!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
-!> @brief material subroutine for constant damage field
-!--------------------------------------------------------------------------------------------------
-module damage_none
-  use prec
-  use config
-  use material
-
-  implicit none
-  public
-
-contains
-
-!--------------------------------------------------------------------------------------------------
-!> @brief allocates all neccessary fields, reads information from material configuration file
-!--------------------------------------------------------------------------------------------------
-subroutine damage_none_init
-
-  integer :: h,Nmaterialpoints
-
-  print'(/,a)', ' <<<+-  damage_none init  -+>>>'; flush(6)
-
-  do h = 1, size(material_name_homogenization)
-    if (damage_type(h) /= DAMAGE_NONE_ID) cycle
-
-    Nmaterialpoints = count(material_homogenizationAt == h)
-    damageState_h(h)%sizeState = 0
-    allocate(damageState_h(h)%state0   (0,Nmaterialpoints))
-    allocate(damageState_h(h)%state    (0,Nmaterialpoints))
-
-    allocate  (damage(h)%p(Nmaterialpoints), source=1.0_pReal)
-
-  enddo
-
-end subroutine damage_none_init
-
-end module damage_none

src/damage_nonlocal.f90

@@ -1,94 +0,0 @@
-!--------------------------------------------------------------------------------------------------
-!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
-!> @brief material subroutine for non-locally evolving damage field
-!--------------------------------------------------------------------------------------------------
-module damage_nonlocal
-  use prec
-  use material
-  use config
-  use YAML_types
-  use lattice
-  use phase
-  use results
-
-  implicit none
-  private
-
-  type, private :: tNumerics
-    real(pReal) :: &
-    charLength                                                                                      !< characteristic length scale for gradient problems
-  end type tNumerics
-
-  type(tNumerics), private :: &
-    num
-
-  public :: &
-    damage_nonlocal_init, &
-    damage_nonlocal_getDiffusion
-
-contains
-
-!--------------------------------------------------------------------------------------------------
-!> @brief module initialization
-!> @details reads in material parameters, allocates arrays, and does sanity checks
-!--------------------------------------------------------------------------------------------------
-subroutine damage_nonlocal_init
-
-  integer :: Ninstances,Nmaterialpoints,h
-  class(tNode), pointer :: &
-    num_generic, &
-    material_homogenization
-
-  print'(/,a)', ' <<<+-  damage_nonlocal init  -+>>>'; flush(6)
-
-!------------------------------------------------------------------------------------
-! read numerics parameter
-  num_generic => config_numerics%get('generic',defaultVal= emptyDict)
-  num%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
-
-  Ninstances = count(damage_type == DAMAGE_nonlocal_ID)
-
-  material_homogenization => config_material%get('homogenization')
-  do h = 1, material_homogenization%length
-    if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
-
-    Nmaterialpoints = count(material_homogenizationAt == h)
-    damageState_h(h)%sizeState = 1
-    allocate(damageState_h(h)%state0   (1,Nmaterialpoints), source=1.0_pReal)
-    allocate(damageState_h(h)%state    (1,Nmaterialpoints), source=1.0_pReal)
-
-    damage(h)%p => damageState_h(h)%state(1,:)
-
-  enddo
-
-end subroutine damage_nonlocal_init
-
-
-!--------------------------------------------------------------------------------------------------
-!> @brief returns homogenized non local damage diffusion tensor in reference configuration
-!--------------------------------------------------------------------------------------------------
-function damage_nonlocal_getDiffusion(ip,el)
-
-  integer, intent(in) :: &
-    ip, &                                                                                           !< integration point number
-    el                                                                                              !< element number
-  real(pReal), dimension(3,3) :: &
-    damage_nonlocal_getDiffusion
-  integer :: &
-    homog, &
-    grain
-
-  homog  = material_homogenizationAt(el)
-  damage_nonlocal_getDiffusion = 0.0_pReal
-  do grain = 1, homogenization_Nconstituents(homog)
-    damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
-      crystallite_push33ToRef(grain,ip,el,lattice_D(1:3,1:3,material_phaseAt(grain,el)))
-  enddo
-
-  damage_nonlocal_getDiffusion = &
-    num%charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Nconstituents(homog),pReal)
-
-end function damage_nonlocal_getDiffusion
-
-
-end module damage_nonlocal

src/grid/DAMASK_grid.f90

@@ -18,9 +18,9 @@ program DAMASK_grid
   use CPFEM2
   use material
   use spectral_utilities
-  use grid_mech_spectral_basic
+  use grid_mechanical_spectral_basic
-  use grid_mech_spectral_polarisation
+  use grid_mechanical_spectral_polarisation
-  use grid_mech_FEM
+  use grid_mechanical_FEM
   use grid_damage_spectral
   use grid_thermal_spectral
   use results
@@ -36,7 +36,7 @@ program DAMASK_grid
     integer ::                  N, &                                                                !< number of increments
                                 f_out, &                                                            !< frequency of result writes
                                 f_restart                                                           !< frequency of restart writes
-    logical ::                  drop_guessing                                                       !< do not follow trajectory of former loadcase
+    logical ::                  estimate_rate                                                       !< follow trajectory of former loadcase
     integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
   end type tLoadCase
 
@@ -83,16 +83,16 @@ program DAMASK_grid
 
   type(tLoadCase), allocatable, dimension(:) :: loadCases                                           !< array of all load cases
   type(tSolutionState), allocatable, dimension(:) :: solres
-  procedure(grid_mech_spectral_basic_init), pointer :: &
+  procedure(grid_mechanical_spectral_basic_init), pointer :: &
-    mech_init
+    mechanical_init
-  procedure(grid_mech_spectral_basic_forward), pointer :: &
+  procedure(grid_mechanical_spectral_basic_forward), pointer :: &
-    mech_forward
+    mechanical_forward
-  procedure(grid_mech_spectral_basic_solution), pointer :: &
+  procedure(grid_mechanical_spectral_basic_solution), pointer :: &
-    mech_solution
+    mechanical_solution
-  procedure(grid_mech_spectral_basic_updateCoords), pointer :: &
+  procedure(grid_mechanical_spectral_basic_updateCoords), pointer :: &
-    mech_updateCoords
+    mechanical_updateCoords
-  procedure(grid_mech_spectral_basic_restartWrite), pointer :: &
+  procedure(grid_mechanical_spectral_basic_restartWrite), pointer :: &
-    mech_restartWrite
+    mechanical_restartWrite
 
   external :: &
     quit
@@ -102,6 +102,7 @@ program DAMASK_grid
     config_load, &
     load_steps, &
     load_step, &
+    step_bc, &
     step_mech, &
     step_discretization, &
     step_deformation, &
@@ -138,25 +139,25 @@ program DAMASK_grid
   debug_grid => config_debug%get('grid',defaultVal=emptyList)
   select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
     case ('Basic')
-      mech_init         => grid_mech_spectral_basic_init
+      mechanical_init         => grid_mechanical_spectral_basic_init
-      mech_forward      => grid_mech_spectral_basic_forward
+      mechanical_forward      => grid_mechanical_spectral_basic_forward
-      mech_solution     => grid_mech_spectral_basic_solution
+      mechanical_solution     => grid_mechanical_spectral_basic_solution
-      mech_updateCoords => grid_mech_spectral_basic_updateCoords
+      mechanical_updateCoords => grid_mechanical_spectral_basic_updateCoords
-      mech_restartWrite => grid_mech_spectral_basic_restartWrite
+      mechanical_restartWrite => grid_mechanical_spectral_basic_restartWrite
 
     case ('Polarisation')
-      mech_init         => grid_mech_spectral_polarisation_init
+      mechanical_init         => grid_mechanical_spectral_polarisation_init
-      mech_forward      => grid_mech_spectral_polarisation_forward
+      mechanical_forward      => grid_mechanical_spectral_polarisation_forward
-      mech_solution     => grid_mech_spectral_polarisation_solution
+      mechanical_solution     => grid_mechanical_spectral_polarisation_solution
-      mech_updateCoords => grid_mech_spectral_polarisation_updateCoords
+      mechanical_updateCoords => grid_mechanical_spectral_polarisation_updateCoords
-      mech_restartWrite => grid_mech_spectral_polarisation_restartWrite
+      mechanical_restartWrite => grid_mechanical_spectral_polarisation_restartWrite
 
     case ('FEM')
-      mech_init         => grid_mech_FEM_init
+      mechanical_init         => grid_mechanical_FEM_init
-      mech_forward      => grid_mech_FEM_forward
+      mechanical_forward      => grid_mechanical_FEM_forward
-      mech_solution     => grid_mech_FEM_solution
+      mechanical_solution     => grid_mechanical_FEM_solution
-      mech_updateCoords => grid_mech_FEM_updateCoords
+      mechanical_updateCoords => grid_mechanical_FEM_updateCoords
-      mech_restartWrite => grid_mech_FEM_restartWrite
+      mechanical_restartWrite => grid_mechanical_FEM_restartWrite
 
     case default
       call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver')))
@@ -168,7 +169,7 @@ program DAMASK_grid
 ! reading information from load case file and to sanity checks
   config_load => YAML_parse_file(trim(interface_loadFile))
 
-  load_steps => config_load%get('step')
+  load_steps => config_load%get('loadstep')
   allocate(loadCases(load_steps%length))                                                            ! array of load cases
 
   do l = 1, load_steps%length
@@ -186,8 +187,8 @@ program DAMASK_grid
     endif damageActive
 
     load_step => load_steps%get(l)
-
+    step_bc   => load_step%get('boundary_conditions')
-    step_mech => load_step%get('mechanics')
+    step_mech => step_bc%get('mechanical')
     loadCases(l)%stress%myType=''
     readMech: do m = 1, step_mech%length
       select case (step_mech%getKey(m))
@@ -224,16 +225,16 @@ program DAMASK_grid
     loadCases(l)%t         = step_discretization%get_asFloat('t')
     loadCases(l)%N         = step_discretization%get_asInt  ('N')
     loadCases(l)%r         = step_discretization%get_asFloat('r',         defaultVal= 1.0_pReal)
-    loadCases(l)%f_out     = step_discretization%get_asInt  ('f_out',     defaultVal=1)
     loadCases(l)%f_restart = step_discretization%get_asInt  ('f_restart', defaultVal=huge(0))
 
-    loadCases(l)%drop_guessing = (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. &
+    loadCases(l)%f_out     = load_step%get_asInt('f_out',     defaultVal=1)
-                                                       merge(.false.,.true.,l > 1))
+    loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. & 
+                                                       merge(.true.,.false.,l > 1))
 
     reportAndCheck: if (worldrank == 0) then
       write (loadcase_string, '(i0)' ) l
       print'(/,a,i0)', ' load case: ', l
-      print*, ' drop_guessing:', loadCases(l)%drop_guessing
+      print*, ' estimate_rate:', loadCases(l)%estimate_rate
       if (loadCases(l)%deformation%myType == 'L') then
         do j = 1, 3
           if (any(loadCases(l)%deformation%mask(j,1:3) .eqv. .true.) .and. &
@@ -302,7 +303,7 @@ program DAMASK_grid
   do field = 1, nActiveFields
     select case (loadCases(1)%ID(field))
       case(FIELD_MECH_ID)
-        call mech_init
+        call mechanical_init
 
       case(FIELD_THERMAL_ID)
         call grid_thermal_spectral_init
@@ -333,7 +334,7 @@ program DAMASK_grid
 
   loadCaseLooping: do l = 1, size(loadCases)
     time0 = time                                                                                    ! load case start time
-    guess = .not. loadCases(l)%drop_guessing                                                        ! change of load case? homogeneous guess for the first inc
+    guess = loadCases(l)%estimate_rate                                                              ! change of load case? homogeneous guess for the first inc
 
     incLooping: do inc = 1, loadCases(l)%N
       totalIncsCounter = totalIncsCounter + 1
@@ -378,7 +379,7 @@ program DAMASK_grid
           do field = 1, nActiveFields
             select case(loadCases(l)%ID(field))
               case(FIELD_MECH_ID)
-                call mech_forward (&
+                call mechanical_forward (&
                         cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
                         deformation_BC     = loadCases(l)%deformation, &
                         stress_BC          = loadCases(l)%stress, &
@@ -398,7 +399,7 @@ program DAMASK_grid
             do field = 1, nActiveFields
               select case(loadCases(l)%ID(field))
                 case(FIELD_MECH_ID)
-                  solres(field) = mech_solution(incInfo)
+                  solres(field) = mechanical_solution(incInfo)
                 case(FIELD_THERMAL_ID)
                   solres(field) = grid_thermal_spectral_solution(timeinc)
                 case(FIELD_DAMAGE_ID)
@@ -419,7 +420,7 @@ program DAMASK_grid
 
           if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) &                           ! converged
                .and. .not. solres(1)%termIll) then                                                  ! and acceptable solution found
-            call mech_updateCoords
+            call mechanical_updateCoords
             timeIncOld = timeinc
             cutBack = .false.
             guess = .true.                                                                          ! start guessing after first converged (sub)inc
@@ -462,7 +463,7 @@ program DAMASK_grid
         call MPI_Allreduce(interface_SIGUSR2,signal,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
         if (ierr /= 0) error stop 'MPI error'
         if (mod(inc,loadCases(l)%f_restart) == 0 .or. signal) then
-          call mech_restartWrite
+          call mechanical_restartWrite
           call CPFEM_restartWrite
         endif
         if(signal) call interface_setSIGUSR2(.false.)

src/grid/grid_damage_spectral.f90

@@ -15,7 +15,6 @@ module grid_damage_spectral
   use IO
   use spectral_utilities
   use discretization_grid
-  use damage_nonlocal
   use YAML_types
   use homogenization
   use config

src/grid/grid_mech_FEM.f90

@@ -4,7 +4,7 @@
 !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief Grid solver for mechanics: FEM
 !--------------------------------------------------------------------------------------------------
-module grid_mech_FEM
+module grid_mechanical_FEM
 #include <petsc/finclude/petscsnes.h>
 #include <petsc/finclude/petscdmda.h>
   use PETScdmda
@@ -45,8 +45,8 @@ module grid_mech_FEM
 
 !--------------------------------------------------------------------------------------------------
 ! PETSc data
-  DM   :: mech_grid
+  DM   :: mechanical_grid
-  SNES :: mech_snes
+  SNES :: mechanical_snes
   Vec  :: solution_current, solution_lastInc, solution_rate
 
 !--------------------------------------------------------------------------------------------------
@@ -79,18 +79,18 @@ module grid_mech_FEM
     totalIter = 0                                                                                   !< total iteration in current increment
 
   public :: &
-    grid_mech_FEM_init, &
+    grid_mechanical_FEM_init, &
-    grid_mech_FEM_solution, &
+    grid_mechanical_FEM_solution, &
-    grid_mech_FEM_forward, &
+    grid_mechanical_FEM_forward, &
-    grid_mech_FEM_updateCoords, &
+    grid_mechanical_FEM_updateCoords, &
-    grid_mech_FEM_restartWrite
+    grid_mechanical_FEM_restartWrite
 
 contains
 
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all necessary fields and fills them with data, potentially from restart info
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_FEM_init
+subroutine grid_mechanical_FEM_init
 
   real(pReal), parameter :: HGCoeff = 0.0e-2_pReal
   real(pReal), parameter, dimension(4,8) :: &
@@ -114,7 +114,7 @@ subroutine grid_mech_FEM_init
     num_grid, &
     debug_grid
 
-  print'(/,a)', ' <<<+-  grid_mech_FEM init  -+>>>'; flush(IO_STDOUT)
+  print'(/,a)', ' <<<+-  grid_mechanical_FEM init  -+>>>'; flush(IO_STDOUT)
 
 !-------------------------------------------------------------------------------------------------
 ! debugging options
@@ -141,8 +141,11 @@ subroutine grid_mech_FEM_init
 
 !--------------------------------------------------------------------------------------------------
 ! set default and user defined options for PETSc
-  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &
+  call PetscOptionsInsertString(PETSC_NULL_OPTIONS, &
-                                &-mech_ksp_max_it 25 -mech_pc_type ml -mech_mg_levels_ksp_type chebyshev',ierr)
+                                '-mechanical_snes_type newtonls -mechanical_ksp_type fgmres &
+                                &-mechanical_ksp_max_it 25 -mechanical_pc_type ml &
+                                &-mechanical_mg_levels_ksp_type chebyshev', &
+                                ierr)
   CHKERRQ(ierr)
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
   CHKERRQ(ierr)
@@ -155,8 +158,10 @@ subroutine grid_mech_FEM_init
 
 !--------------------------------------------------------------------------------------------------
 ! initialize solver specific parts of PETSc
-  call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
+  call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,ierr)
-  call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',ierr)
+  CHKERRQ(ierr)
   localK            = 0
   localK(worldrank) = grid3
   call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@@ -167,34 +172,44 @@ subroutine grid_mech_FEM_init
          1, 1, worldsize, &
          3, 1, &
          [grid(1)],[grid(2)],localK, &
-         mech_grid,ierr)
+         mechanical_grid,ierr)
   CHKERRQ(ierr)
-  call SNESSetDM(mech_snes,mech_grid,ierr); CHKERRQ(ierr)
+  call SNESSetDM(mechanical_snes,mechanical_grid,ierr)
-  call DMsetFromOptions(mech_grid,ierr); CHKERRQ(ierr)
-  call DMsetUp(mech_grid,ierr); CHKERRQ(ierr)
-  call DMDASetUniformCoordinates(mech_grid,0.0_pReal,geomSize(1),0.0_pReal,geomSize(2),0.0_pReal,geomSize(3),ierr)
   CHKERRQ(ierr)
-  call DMCreateGlobalVector(mech_grid,solution_current,ierr); CHKERRQ(ierr)
+  call DMsetFromOptions(mechanical_grid,ierr)
-  call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr)
-  call DMCreateGlobalVector(mech_grid,solution_rate   ,ierr); CHKERRQ(ierr)
-  call DMSNESSetFunctionLocal(mech_grid,formResidual,PETSC_NULL_SNES,ierr)
   CHKERRQ(ierr)
-  call DMSNESSetJacobianLocal(mech_grid,formJacobian,PETSC_NULL_SNES,ierr)
+  call DMsetUp(mechanical_grid,ierr)
   CHKERRQ(ierr)
-  call SNESSetConvergenceTest(mech_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)         ! specify custom convergence check function "_converged"
+  call DMDASetUniformCoordinates(mechanical_grid,0.0_pReal,geomSize(1),0.0_pReal,geomSize(2),0.0_pReal,geomSize(3),ierr)
+  CHKERRQ(ierr)
+  call DMCreateGlobalVector(mechanical_grid,solution_current,ierr)
+  CHKERRQ(ierr)
+  call DMCreateGlobalVector(mechanical_grid,solution_lastInc,ierr)
+  CHKERRQ(ierr)
+  call DMCreateGlobalVector(mechanical_grid,solution_rate   ,ierr)
+  CHKERRQ(ierr)
+  call DMSNESSetFunctionLocal(mechanical_grid,formResidual,PETSC_NULL_SNES,ierr)
+  CHKERRQ(ierr)
+  call DMSNESSetJacobianLocal(mechanical_grid,formJacobian,PETSC_NULL_SNES,ierr)
+  CHKERRQ(ierr)
+  call SNESSetConvergenceTest(mechanical_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)         ! specify custom convergence check function "_converged"
+  CHKERRQ(ierr)
+  call SNESSetMaxLinearSolveFailures(mechanical_snes, huge(1), ierr)                                      ! ignore linear solve failures
+  CHKERRQ(ierr)
+  call SNESSetFromOptions(mechanical_snes,ierr)                                                           ! pull it all together with additional cli arguments
   CHKERRQ(ierr)
-  call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr)                       ! ignore linear solve failures
-  call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr)                                            ! pull it all together with additional cli arguments
 
 !--------------------------------------------------------------------------------------------------
 ! init fields
   call VecSet(solution_current,0.0_pReal,ierr);CHKERRQ(ierr)
   call VecSet(solution_lastInc,0.0_pReal,ierr);CHKERRQ(ierr)
   call VecSet(solution_rate   ,0.0_pReal,ierr);CHKERRQ(ierr)
-  call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
+  call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
-  call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
+  CHKERRQ(ierr)
 
-  call DMDAGetCorners(mech_grid,xstart,ystart,zstart,xend,yend,zend,ierr)                           ! local grid extent
+  call DMDAGetCorners(mechanical_grid,xstart,ystart,zstart,xend,yend,zend,ierr)                           ! local grid extent
   CHKERRQ(ierr)
   xend = xstart+xend-1
   yend = ystart+yend-1
@@ -242,9 +257,9 @@ subroutine grid_mech_FEM_init
   call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, &                            ! stress field, stress avg, global average of stiffness and (min+max)/2
                                       F, &                                                          ! target F
                                       0.0_pReal)                                                    ! time increment
-  call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr)
+  call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,ierr)
   CHKERRQ(ierr)
-  call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr)
+  call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
   CHKERRQ(ierr)
 
   restartRead2: if (interface_restartInc > 0) then
@@ -257,13 +272,13 @@ subroutine grid_mech_FEM_init
 
   endif restartRead2
 
-end subroutine grid_mech_FEM_init
+end subroutine grid_mechanical_FEM_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief solution for the FEM scheme with internal iterations
 !--------------------------------------------------------------------------------------------------
-function grid_mech_FEM_solution(incInfoIn) result(solution)
+function grid_mechanical_FEM_solution(incInfoIn) result(solution)
 
 !--------------------------------------------------------------------------------------------------
 ! input data for solution
@@ -284,11 +299,13 @@ function grid_mech_FEM_solution(incInfoIn) result(solution)
 
 !--------------------------------------------------------------------------------------------------
 ! solve BVP
-  call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr); CHKERRQ(ierr)
+  call SNESsolve(mechanical_snes,PETSC_NULL_VEC,solution_current,ierr)
+  CHKERRQ(ierr)
 
 !--------------------------------------------------------------------------------------------------
 ! check convergence
-  call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr)
+  call SNESGetConvergedReason(mechanical_snes,reason,ierr)
+  CHKERRQ(ierr)
 
   solution%converged = reason > 0
   solution%iterationsNeeded = totalIter
@@ -296,14 +313,14 @@ function grid_mech_FEM_solution(incInfoIn) result(solution)
   terminallyIll = .false.
   P_aim = merge(P_aim,P_av,params%stress_mask)
 
-end function grid_mech_FEM_solution
+end function grid_mechanical_FEM_solution
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief forwarding routine
 !> @details find new boundary conditions and best F estimate for end of current timestep
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
+subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
                                  deformation_BC,stress_BC,rotation_BC)
 
   logical,                  intent(in) :: &
@@ -323,8 +340,10 @@ subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
     u_current,u_lastInc
 
 
-  call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
+  call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
-  call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
+  CHKERRQ(ierr)
 
   if (cutBack) then
     C_volAvg = C_volAvgLastInc
@@ -371,8 +390,10 @@ subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
 
   call VecAXPY(solution_current,Delta_t,solution_rate,ierr); CHKERRQ(ierr)
 
-  call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
+  call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,ierr)
-  call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
+  CHKERRQ(ierr)
 
 !--------------------------------------------------------------------------------------------------
 ! set module wide available data
@@ -380,31 +401,33 @@ subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
   params%rotation_BC = rotation_BC
   params%timeinc     = Delta_t
 
-end subroutine grid_mech_FEM_forward
+end subroutine grid_mechanical_FEM_forward
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Update coordinates
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_FEM_updateCoords
+subroutine grid_mechanical_FEM_updateCoords
 
   call utilities_updateCoords(F)
 
-end subroutine grid_mech_FEM_updateCoords
+end subroutine grid_mechanical_FEM_updateCoords
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Write current solver and constitutive data for restart to file
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_FEM_restartWrite
+subroutine grid_mechanical_FEM_restartWrite
 
   PetscErrorCode :: ierr
   integer(HID_T) :: fileHandle, groupHandle
   PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
   character(len=pStringLen) :: fileName
 
-  call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
+  call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
-  call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
+  CHKERRQ(ierr)
 
   print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
 
@@ -427,10 +450,12 @@ subroutine grid_mech_FEM_restartWrite
   call HDF5_closeGroup(groupHandle)
   call HDF5_closeFile(fileHandle)
 
-  call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr);CHKERRQ(ierr)
+  call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,ierr)
-  call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr);CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
+  CHKERRQ(ierr)
 
-end subroutine grid_mech_FEM_restartWrite
+end subroutine grid_mechanical_FEM_restartWrite
 
 
 !--------------------------------------------------------------------------------------------------
@@ -498,8 +523,10 @@ subroutine formResidual(da_local,x_local, &
   PetscErrorCode :: ierr
   real(pReal), dimension(3,3,3,3) :: devNull
 
-  call SNESGetNumberFunctionEvals(mech_snes,nfuncs,ierr); CHKERRQ(ierr)
+  call SNESGetNumberFunctionEvals(mechanical_snes,nfuncs,ierr)
-  call SNESGetIterationNumber(mech_snes,PETScIter,ierr); CHKERRQ(ierr)
+  CHKERRQ(ierr)
+  call SNESGetIterationNumber(mechanical_snes,PETScIter,ierr)
+  CHKERRQ(ierr)
 
   if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1                                              ! new increment
 
@@ -679,4 +706,4 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
 
 end subroutine formJacobian
 
-end module grid_mech_FEM
+end module grid_mechanical_FEM

src/grid/grid_mech_spectral_basic.f90

@@ -4,7 +4,7 @@
 !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief Grid solver for mechanics: Spectral basic
 !--------------------------------------------------------------------------------------------------
-module grid_mech_spectral_basic
+module grid_mechanical_spectral_basic
 #include <petsc/finclude/petscsnes.h>
 #include <petsc/finclude/petscdmda.h>
   use PETScdmda
@@ -79,18 +79,18 @@ module grid_mech_spectral_basic
     totalIter = 0                                                                                   !< total iteration in current increment
 
   public :: &
-    grid_mech_spectral_basic_init, &
+    grid_mechanical_spectral_basic_init, &
-    grid_mech_spectral_basic_solution, &
+    grid_mechanical_spectral_basic_solution, &
-    grid_mech_spectral_basic_forward, &
+    grid_mechanical_spectral_basic_forward, &
-    grid_mech_spectral_basic_updateCoords, &
+    grid_mechanical_spectral_basic_updateCoords, &
-    grid_mech_spectral_basic_restartWrite
+    grid_mechanical_spectral_basic_restartWrite
 
 contains
 
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all necessary fields and fills them with data, potentially from restart info
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_basic_init
+subroutine grid_mechanical_spectral_basic_init
 
   real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
   PetscErrorCode :: ierr
@@ -105,7 +105,7 @@ subroutine grid_mech_spectral_basic_init
     num_grid, &
     debug_grid
 
-  print'(/,a)', ' <<<+-  grid_mech_spectral_basic init  -+>>>'; flush(IO_STDOUT)
+  print'(/,a)', ' <<<+-  grid_mechanical_spectral_basic init  -+>>>'; flush(IO_STDOUT)
 
   print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
   print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
@@ -139,7 +139,7 @@ subroutine grid_mech_spectral_basic_init
 
 !--------------------------------------------------------------------------------------------------
 ! set default and user defined options for PETSc
-  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
+  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',ierr)
   CHKERRQ(ierr)
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
   CHKERRQ(ierr)
@@ -152,7 +152,7 @@ subroutine grid_mech_spectral_basic_init
 !--------------------------------------------------------------------------------------------------
 ! initialize solver specific parts of PETSc
   call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
-  call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
+  call SNESSetOptionsPrefix(snes,'mechanical_',ierr);CHKERRQ(ierr)
   localK            = 0
   localK(worldrank) = grid3
   call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@@ -222,13 +222,13 @@ subroutine grid_mech_spectral_basic_init
   call utilities_updateGamma(C_minMaxAvg)
   call utilities_saveReferenceStiffness
 
-end subroutine grid_mech_spectral_basic_init
+end subroutine grid_mechanical_spectral_basic_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief solution for the basic scheme with internal iterations
 !--------------------------------------------------------------------------------------------------
-function grid_mech_spectral_basic_solution(incInfoIn) result(solution)
+function grid_mechanical_spectral_basic_solution(incInfoIn) result(solution)
 
 !--------------------------------------------------------------------------------------------------
 ! input data for solution
@@ -262,14 +262,14 @@ function grid_mech_spectral_basic_solution(incInfoIn) result(solution)
   terminallyIll = .false.
   P_aim = merge(P_aim,P_av,params%stress_mask)
 
-end function grid_mech_spectral_basic_solution
+end function grid_mechanical_spectral_basic_solution
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief forwarding routine
 !> @details find new boundary conditions and best F estimate for end of current timestep
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
+subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
                                             deformation_BC,stress_BC,rotation_BC)
 
   logical,                  intent(in) :: &
@@ -339,13 +339,13 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_
   params%rotation_BC = rotation_BC
   params%timeinc     = Delta_t
 
-end subroutine grid_mech_spectral_basic_forward
+end subroutine grid_mechanical_spectral_basic_forward
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Update coordinates
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_basic_updateCoords
+subroutine grid_mechanical_spectral_basic_updateCoords
 
   PetscErrorCode :: ierr
   PetscScalar, dimension(:,:,:,:), pointer :: F
@@ -354,13 +354,13 @@ subroutine grid_mech_spectral_basic_updateCoords
   call utilities_updateCoords(F)
   call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
 
-end subroutine grid_mech_spectral_basic_updateCoords
+end subroutine grid_mechanical_spectral_basic_updateCoords
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Write current solver and constitutive data for restart to file
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_basic_restartWrite
+subroutine grid_mechanical_spectral_basic_restartWrite
 
   PetscErrorCode :: ierr
   integer(HID_T) :: fileHandle, groupHandle
@@ -393,7 +393,7 @@ subroutine grid_mech_spectral_basic_restartWrite
 
   call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
 
-end subroutine grid_mech_spectral_basic_restartWrite
+end subroutine grid_mechanical_spectral_basic_restartWrite
 
 
 !--------------------------------------------------------------------------------------------------
@@ -506,4 +506,4 @@ subroutine formResidual(in, F, &
 end subroutine formResidual
 
 
-end module grid_mech_spectral_basic
+end module grid_mechanical_spectral_basic

src/grid/grid_mech_spectral_polarisation.f90

@@ -4,7 +4,7 @@
 !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief Grid solver for mechanics: Spectral Polarisation
 !--------------------------------------------------------------------------------------------------
-module grid_mech_spectral_polarisation
+module grid_mechanical_spectral_polarisation
 #include <petsc/finclude/petscsnes.h>
 #include <petsc/finclude/petscdmda.h>
   use PETScdmda
@@ -90,18 +90,18 @@ module grid_mech_spectral_polarisation
     totalIter = 0                                                                                   !< total iteration in current increment
 
   public :: &
-    grid_mech_spectral_polarisation_init, &
+    grid_mechanical_spectral_polarisation_init, &
-    grid_mech_spectral_polarisation_solution, &
+    grid_mechanical_spectral_polarisation_solution, &
-    grid_mech_spectral_polarisation_forward, &
+    grid_mechanical_spectral_polarisation_forward, &
-    grid_mech_spectral_polarisation_updateCoords, &
+    grid_mechanical_spectral_polarisation_updateCoords, &
-    grid_mech_spectral_polarisation_restartWrite
+    grid_mechanical_spectral_polarisation_restartWrite
 
 contains
 
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all necessary fields and fills them with data, potentially from restart info
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_polarisation_init
+subroutine grid_mechanical_spectral_polarisation_init
 
   real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
   PetscErrorCode :: ierr
@@ -118,7 +118,7 @@ subroutine grid_mech_spectral_polarisation_init
     num_grid, &
     debug_grid
 
-  print'(/,a)', ' <<<+-  grid_mech_spectral_polarisation init  -+>>>'; flush(IO_STDOUT)
+  print'(/,a)', ' <<<+-  grid_mechanical_spectral_polarisation init  -+>>>'; flush(IO_STDOUT)
 
   print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
   print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
@@ -157,7 +157,7 @@ subroutine grid_mech_spectral_polarisation_init
 
 !--------------------------------------------------------------------------------------------------
 ! set default and user defined options for PETSc
-  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
+  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',ierr)
   CHKERRQ(ierr)
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
   CHKERRQ(ierr)
@@ -172,7 +172,7 @@ subroutine grid_mech_spectral_polarisation_init
 !--------------------------------------------------------------------------------------------------
 ! initialize solver specific parts of PETSc
   call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
-  call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
+  call SNESSetOptionsPrefix(snes,'mechanical_',ierr);CHKERRQ(ierr)
   localK            = 0
   localK(worldrank) = grid3
   call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@@ -250,13 +250,13 @@ subroutine grid_mech_spectral_polarisation_init
   C_scale = C_minMaxAvg
   S_scale = math_invSym3333(C_minMaxAvg)
 
-end subroutine grid_mech_spectral_polarisation_init
+end subroutine grid_mechanical_spectral_polarisation_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief solution for the Polarisation scheme with internal iterations
 !--------------------------------------------------------------------------------------------------
-function grid_mech_spectral_polarisation_solution(incInfoIn) result(solution)
+function grid_mechanical_spectral_polarisation_solution(incInfoIn) result(solution)
 
 !--------------------------------------------------------------------------------------------------
 ! input data for solution
@@ -294,14 +294,14 @@ function grid_mech_spectral_polarisation_solution(incInfoIn) result(solution)
   terminallyIll = .false.
   P_aim = merge(P_aim,P_av,params%stress_mask)
 
-end function grid_mech_spectral_polarisation_solution
+end function grid_mechanical_spectral_polarisation_solution
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief forwarding routine
 !> @details find new boundary conditions and best F estimate for end of current timestep
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
+subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
                                                    deformation_BC,stress_BC,rotation_BC)
 
   logical,                  intent(in) :: &
@@ -393,13 +393,13 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,Delta_t,Delta_t
   params%rotation_BC = rotation_BC
   params%timeinc     = Delta_t
 
-end subroutine grid_mech_spectral_polarisation_forward
+end subroutine grid_mechanical_spectral_polarisation_forward
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Update coordinates
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_polarisation_updateCoords
+subroutine grid_mechanical_spectral_polarisation_updateCoords
 
   PetscErrorCode :: ierr
   PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau
@@ -408,13 +408,13 @@ subroutine grid_mech_spectral_polarisation_updateCoords
   call utilities_updateCoords(FandF_tau(0:8,:,:,:))
   call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
 
-end subroutine grid_mech_spectral_polarisation_updateCoords
+end subroutine grid_mechanical_spectral_polarisation_updateCoords
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Write current solver and constitutive data for restart to file
 !--------------------------------------------------------------------------------------------------
-subroutine grid_mech_spectral_polarisation_restartWrite
+subroutine grid_mechanical_spectral_polarisation_restartWrite
 
   PetscErrorCode :: ierr
   integer(HID_T) :: fileHandle, groupHandle
@@ -450,7 +450,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
 
   call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
 
-end subroutine grid_mech_spectral_polarisation_restartWrite
+end subroutine grid_mechanical_spectral_polarisation_restartWrite
 
 
 !--------------------------------------------------------------------------------------------------
@@ -618,4 +618,4 @@ subroutine formResidual(in, FandF_tau, &
 
 end subroutine formResidual
 
-end module grid_mech_spectral_polarisation
+end module grid_mechanical_spectral_polarisation

src/homogenization.f90

@@ -12,14 +12,53 @@ module homogenization
   use material
   use phase
   use discretization
-  use damage_none
-  use damage_nonlocal
   use HDF5_utilities
   use results
+  use lattice
 
   implicit none
   private
 
+
+  enum, bind(c); enumerator :: &
+    THERMAL_ISOTHERMAL_ID, &
+    THERMAL_CONDUCTION_ID, &
+    DAMAGE_NONE_ID, &
+    DAMAGE_NONLOCAL_ID, &
+    HOMOGENIZATION_UNDEFINED_ID, &
+    HOMOGENIZATION_NONE_ID, &
+    HOMOGENIZATION_ISOSTRAIN_ID, &
+    HOMOGENIZATION_RGC_ID
+  end enum
+
+    type(tState),        allocatable, dimension(:), public :: &
+    homogState, &
+    damageState_h
+
+  integer, dimension(:), allocatable, public, protected :: &
+    homogenization_typeInstance, &                                                                  !< instance of particular type of each homogenization
+    thermal_typeInstance, &                                                                         !< instance of particular type of each thermal transport
+    damage_typeInstance                                                                             !< instance of particular type of each nonlocal damage
+
+  real(pReal), dimension(:), allocatable, public, protected :: &
+    thermal_initialT
+
+  integer(kind(THERMAL_isothermal_ID)),       dimension(:),   allocatable, public, protected :: &
+    thermal_type                                                                                    !< thermal transport model
+  integer(kind(DAMAGE_none_ID)),              dimension(:),   allocatable, public, protected :: &
+    damage_type                                                                                     !< nonlocal damage model
+  integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:),   allocatable, public, protected :: &
+    homogenization_type                                                                             !< type of each homogenization
+
+  type, private :: tNumerics_damage
+    real(pReal) :: &
+    charLength                                                                                      !< characteristic length scale for gradient problems
+  end type tNumerics_damage
+
+  type(tNumerics_damage), private :: &
+    num_damage
+
+
   logical, public :: &
     terminallyIll = .false.                                                                         !< at least one material point is terminally ill
 
@@ -45,10 +84,10 @@ module homogenization
 !--------------------------------------------------------------------------------------------------
   interface
 
-    module subroutine mech_init(num_homog)
+    module subroutine mechanical_init(num_homog)
       class(tNode), pointer, intent(in) :: &
         num_homog                                                                                   !< pointer to mechanical homogenization numerics data
-    end subroutine mech_init
+    end subroutine mechanical_init
 
     module subroutine thermal_init
     end subroutine thermal_init
@@ -56,13 +95,13 @@ module homogenization
     module subroutine damage_init
     end subroutine damage_init
 
-    module subroutine mech_partition(subF,ip,el)
+    module subroutine mechanical_partition(subF,ip,el)
       real(pReal), intent(in), dimension(3,3) :: &
         subF
       integer,     intent(in) :: &
         ip, &                                                                                       !< integration point
         el                                                                                          !< element number
-    end subroutine mech_partition
+    end subroutine mechanical_partition
 
     module subroutine thermal_partition(ce)
       integer,     intent(in) :: ce
@@ -76,19 +115,19 @@ module homogenization
       integer, intent(in) :: ip,el
     end subroutine thermal_homogenize
 
-    module subroutine mech_homogenize(dt,ip,el)
+    module subroutine mechanical_homogenize(dt,ip,el)
      real(pReal), intent(in) :: dt
      integer, intent(in) :: &
        ip, &                                                                                        !< integration point
        el                                                                                           !< element number
-    end subroutine mech_homogenize
+    end subroutine mechanical_homogenize
 
-    module subroutine mech_results(group_base,h)
+    module subroutine mechanical_results(group_base,h)
       character(len=*), intent(in) :: group_base
       integer, intent(in)          :: h
-    end subroutine mech_results
+    end subroutine mechanical_results
 
-    module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
+    module function mechanical_updateState(subdt,subF,ip,el) result(doneAndHappy)
       real(pReal), intent(in) :: &
         subdt                                                                                           !< current time step
       real(pReal), intent(in), dimension(3,3) :: &
@@ -97,7 +136,7 @@ module homogenization
         ip, &                                                                                           !< integration point
         el                                                                                              !< element number
       logical, dimension(2) :: doneAndHappy
-    end function mech_updateState
+    end function mechanical_updateState
 
 
     module function thermal_conduction_getConductivity(ip,el) result(K)
@@ -193,7 +232,13 @@ module homogenization
     homogenization_forward, &
     homogenization_results, &
     homogenization_restartRead, &
-    homogenization_restartWrite
+    homogenization_restartWrite, &
+    THERMAL_CONDUCTION_ID, &
+    DAMAGE_NONLOCAL_ID
+
+  public :: &
+    damage_nonlocal_init, &
+    damage_nonlocal_getDiffusion
 
 contains
 
@@ -209,6 +254,12 @@ subroutine homogenization_init()
 
   print'(/,a)', ' <<<+-  homogenization init  -+>>>'; flush(IO_STDOUT)
 
+
+  allocate(homogState      (size(material_name_homogenization)))
+  allocate(damageState_h   (size(material_name_homogenization)))
+  call material_parseHomogenization
+
+
   num_homog        => config_numerics%get('homogenization',defaultVal=emptyDict)
   num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
 
@@ -216,12 +267,11 @@ subroutine homogenization_init()
   if (num%nMPstate < 1)                   call IO_error(301,ext_msg='nMPstate')
 
 
-  call mech_init(num_homog)
+  call mechanical_init(num_homog)
   call thermal_init()
   call damage_init()
 
-  if (any(damage_type == DAMAGE_none_ID))      call damage_none_init
+  call damage_nonlocal_init
-  if (any(damage_type == DAMAGE_nonlocal_ID))  call damage_nonlocal_init
 
 
 end subroutine homogenization_init
@@ -253,10 +303,11 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
       ce = (el-1)*discretization_nIPs + ip
       me = material_homogenizationMemberAt2(ce)
 
-      call constitutive_restore(ce,.false.) ! wrong name (is more a forward function)
+      call phase_restore(ce,.false.) ! wrong name (is more a forward function)
 
       if(homogState(ho)%sizeState > 0)  homogState(ho)%State(:,me) = homogState(ho)%State0(:,me)
       if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%State(:,me) = damageState_h(ho)%State0(:,me)
+      call damage_partition(ce)
 
       doneAndHappy = [.false.,.true.]
 
@@ -267,7 +318,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
 
 
         if (.not. doneAndHappy(1)) then
-          call mech_partition(homogenization_F(1:3,1:3,ce),ip,el)
+          call mechanical_partition(homogenization_F(1:3,1:3,ce),ip,el)
           converged = .true.
           do co = 1, myNgrains
             converged = converged .and. crystallite_stress(dt,co,ip,el)
@@ -276,7 +327,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
           if (.not. converged) then
             doneAndHappy = [.true.,.false.]
           else
-            doneAndHappy = mech_updateState(dt,homogenization_F(1:3,1:3,ce),ip,el)
+            doneAndHappy = mechanical_updateState(dt,homogenization_F(1:3,1:3,ce),ip,el)
             converged = all(doneAndHappy)
           endif
         endif
@@ -311,26 +362,6 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
     enddo
     !$OMP END DO
 
-!    !$OMP DO PRIVATE(ho,ph,ce)
-!    do el = FEsolving_execElem(1),FEsolving_execElem(2)
-!      if (terminallyIll) continue
-!      ho = material_homogenizationAt(el)
-!      do ip = FEsolving_execIP(1),FEsolving_execIP(2)
-!        ce = (el-1)*discretization_nIPs + ip
-!        call damage_partition(ce)
-!        do co = 1, homogenization_Nconstituents(ho)
-!          ph = material_phaseAt(co,el)
-!          if (.not. thermal_stress(dt,ph,material_phaseMemberAt(co,ip,el))) then
-!            if (.not. terminallyIll) &                                                           ! so first signals terminally ill...
-!              print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
-!            terminallyIll = .true.                                                                  ! ...and kills all others
-!         endif
-!         call thermal_homogenize(ip,el)
-!        enddo
-!      enddo
-!    enddo
-!    !$OMP END DO
-
     !$OMP DO PRIVATE(ho)
     elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
       ho = material_homogenizationAt(el)
@@ -338,7 +369,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
         do co = 1, homogenization_Nconstituents(ho)
           call crystallite_orientations(co,ip,el)
         enddo
-        call mech_homogenize(dt,ip,el)
+        call mechanical_homogenize(dt,ip,el)
       enddo IpLooping3
     enddo elementLooping3
     !$OMP END DO
@@ -365,7 +396,7 @@ subroutine homogenization_results
     group_base = 'current/homogenization/'//trim(material_name_homogenization(ho))
     call results_closeGroup(results_addGroup(group_base))
 
-    call mech_results(group_base,ho)
+    call mechanical_results(group_base,ho)
 
     group = trim(group_base)//'/damage'
     call results_closeGroup(results_addGroup(group))
@@ -397,7 +428,8 @@ subroutine homogenization_forward
 
   do ho = 1, size(material_name_homogenization)
     homogState (ho)%state0 = homogState (ho)%state
-    damageState_h(ho)%state0 = damageState_h(ho)%state
+    if(damageState_h(ho)%sizeState > 0) &
+      damageState_h(ho)%state0 = damageState_h(ho)%state
   enddo
 
 end subroutine homogenization_forward
@@ -457,4 +489,143 @@ subroutine homogenization_restartRead(fileHandle)
 end subroutine homogenization_restartRead
 
 
+
+!--------------------------------------------------------------------------------------------------
+!> @brief module initialization
+!> @details reads in material parameters, allocates arrays, and does sanity checks
+!--------------------------------------------------------------------------------------------------
+subroutine damage_nonlocal_init
+
+  integer :: Ninstances,Nmaterialpoints,h
+  class(tNode), pointer :: &
+    num_generic, &
+    material_homogenization
+
+  print'(/,a)', ' <<<+-  damage_nonlocal init  -+>>>'; flush(6)
+
+!------------------------------------------------------------------------------------
+! read numerics parameter
+  num_generic => config_numerics%get('generic',defaultVal= emptyDict)
+  num_damage%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
+
+  Ninstances = count(damage_type == DAMAGE_nonlocal_ID)
+
+  material_homogenization => config_material%get('homogenization')
+  do h = 1, material_homogenization%length
+    if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
+
+    Nmaterialpoints = count(material_homogenizationAt == h)
+    damageState_h(h)%sizeState = 1
+    allocate(damageState_h(h)%state0   (1,Nmaterialpoints), source=1.0_pReal)
+    allocate(damageState_h(h)%state    (1,Nmaterialpoints), source=1.0_pReal)
+
+  enddo
+
+end subroutine damage_nonlocal_init
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief returns homogenized non local damage diffusion tensor in reference configuration
+!--------------------------------------------------------------------------------------------------
+function damage_nonlocal_getDiffusion(ip,el)
+
+  integer, intent(in) :: &
+    ip, &                                                                                           !< integration point number
+    el                                                                                              !< element number
+  real(pReal), dimension(3,3) :: &
+    damage_nonlocal_getDiffusion
+  integer :: &
+    homog, &
+    grain
+
+  homog  = material_homogenizationAt(el)
+  damage_nonlocal_getDiffusion = 0.0_pReal
+  do grain = 1, homogenization_Nconstituents(homog)
+    damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
+      crystallite_push33ToRef(grain,ip,el,lattice_D(1:3,1:3,material_phaseAt(grain,el)))
+  enddo
+
+  damage_nonlocal_getDiffusion = &
+    num_damage%charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Nconstituents(homog),pReal)
+
+end function damage_nonlocal_getDiffusion
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief parses the homogenization part from the material configuration
+! ToDo: This should be done in homogenization
+!--------------------------------------------------------------------------------------------------
+subroutine material_parseHomogenization
+
+  class(tNode), pointer :: &
+    material_homogenization, &
+    homog, &
+    homogMech, &
+    homogThermal, &
+    homogDamage
+
+  integer :: h
+
+  material_homogenization => config_material%get('homogenization')
+
+  allocate(homogenization_type(size(material_name_homogenization)),           source=HOMOGENIZATION_undefined_ID)
+  allocate(thermal_type(size(material_name_homogenization)),                  source=THERMAL_isothermal_ID)
+  allocate(damage_type (size(material_name_homogenization)),                  source=DAMAGE_none_ID)
+  allocate(homogenization_typeInstance(size(material_name_homogenization)),   source=0)
+  allocate(thermal_typeInstance(size(material_name_homogenization)),          source=0)
+  allocate(damage_typeInstance(size(material_name_homogenization)),           source=0)
+  allocate(thermal_initialT(size(material_name_homogenization)),              source=300.0_pReal)
+
+  do h=1, size(material_name_homogenization)
+    homog => material_homogenization%get(h)
+    homogMech => homog%get('mechanics')
+    select case (homogMech%get_asString('type'))
+      case('pass')
+        homogenization_type(h) = HOMOGENIZATION_NONE_ID
+      case('isostrain')
+        homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
+      case('RGC')
+        homogenization_type(h) = HOMOGENIZATION_RGC_ID
+      case default
+        call IO_error(500,ext_msg=homogMech%get_asString('type'))
+    end select
+
+    homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
+
+    if(homog%contains('thermal')) then
+      homogThermal => homog%get('thermal')
+        thermal_initialT(h) =  homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal)
+
+        select case (homogThermal%get_asString('type'))
+          case('isothermal')
+            thermal_type(h) = THERMAL_isothermal_ID
+          case('conduction')
+            thermal_type(h) = THERMAL_conduction_ID
+          case default
+            call IO_error(500,ext_msg=homogThermal%get_asString('type'))
+        end select
+    endif
+
+    if(homog%contains('damage')) then
+      homogDamage => homog%get('damage')
+        select case (homogDamage%get_asString('type'))
+          case('none')
+            damage_type(h) = DAMAGE_none_ID
+          case('nonlocal')
+            damage_type(h) = DAMAGE_nonlocal_ID
+          case default
+            call IO_error(500,ext_msg=homogDamage%get_asString('type'))
+        end select
+    endif
+  enddo
+
+  do h=1, size(material_name_homogenization)
+    homogenization_typeInstance(h)  = count(homogenization_type(1:h) == homogenization_type(h))
+    thermal_typeInstance(h)         = count(thermal_type       (1:h) == thermal_type       (h))
+    damage_typeInstance(h)          = count(damage_type        (1:h) == damage_type        (h))
+  enddo
+
+end subroutine material_parseHomogenization
+
+
 end module homogenization

src/homogenization_damage.f90

@@ -72,9 +72,10 @@ module subroutine damage_partition(ce)
   integer :: co
 
 
-  phi     = current(material_homogenizationAt2(ce))%phi(material_homogenizationMemberAt2(ce))
+  if(damageState_h(material_homogenizationAt2(ce))%sizeState < 1) return
+  phi     = damagestate_h(material_homogenizationAt2(ce))%state(1,material_homogenizationMemberAt2(ce))
   do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
-    call constitutive_damage_set_phi(phi,co,ce)
+    call phase_damage_set_phi(phi,co,ce)
   enddo
 
 end subroutine damage_partition
@@ -120,7 +121,7 @@ module subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, p
   phiDot = 0.0_pReal
   dPhiDot_dPhi = 0.0_pReal
 
-  call constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
+  call phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
   phiDot = phiDot/real(homogenization_Nconstituents(material_homogenizationAt(el)),pReal)
   dPhiDot_dPhi = dPhiDot_dPhi/real(homogenization_Nconstituents(material_homogenizationAt(el)),pReal)
 
@@ -143,7 +144,7 @@ module subroutine damage_nonlocal_putNonLocalDamage(phi,ip,el)
 
   homog  = material_homogenizationAt(el)
   offset = material_homogenizationMemberAt(ip,el)
-  damage(homog)%p(offset) = phi
+  damagestate_h(homog)%state(1,offset) = phi
 
 end subroutine damage_nonlocal_putNonLocalDamage
 
@@ -162,7 +163,7 @@ module subroutine damage_nonlocal_results(homog,group)
   outputsLoop: do o = 1,size(prm%output)
     select case(prm%output(o))
       case ('phi')
-        call results_writeDataset(group,damage(homog)%p,prm%output(o),&
+        call results_writeDataset(group,damagestate_h(homog)%state(1,:),prm%output(o),&
                                   'damage indicator','-')
     end select
   enddo outputsLoop

src/homogenization_mechanical.f90

@@ -2,57 +2,57 @@
 !> @author Martin Diehl, KU Leuven
 !> @brief Partition F and homogenize P/dPdF
 !--------------------------------------------------------------------------------------------------
-submodule(homogenization) mechanics
+submodule(homogenization) mechanical
 
 
   interface
 
-    module subroutine mech_none_init
+    module subroutine mechanical_pass_init
-    end subroutine mech_none_init
+    end subroutine mechanical_pass_init
 
-    module subroutine mech_isostrain_init
+    module subroutine mechanical_isostrain_init
-    end subroutine mech_isostrain_init
+    end subroutine mechanical_isostrain_init
 
-    module subroutine mech_RGC_init(num_homogMech)
+    module subroutine mechanical_RGC_init(num_homogMech)
       class(tNode), pointer, intent(in) :: &
         num_homogMech                                                                               !< pointer to mechanical homogenization numerics data
-    end subroutine mech_RGC_init
+    end subroutine mechanical_RGC_init
 
 
-    module subroutine mech_isostrain_partitionDeformation(F,avgF)
+    module subroutine mechanical_isostrain_partitionDeformation(F,avgF)
       real(pReal),   dimension (:,:,:), intent(out) :: F                                            !< partitioned deformation gradient
       real(pReal),   dimension (3,3),   intent(in)  :: avgF                                         !< average deformation gradient at material point
-    end subroutine mech_isostrain_partitionDeformation
+    end subroutine mechanical_isostrain_partitionDeformation
 
-    module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
+    module subroutine mechanical_RGC_partitionDeformation(F,avgF,instance,of)
       real(pReal),   dimension (:,:,:), intent(out) :: F                                            !< partitioned deformation gradient
       real(pReal),   dimension (3,3),   intent(in)  :: avgF                                         !< average deformation gradient at material point
       integer,                          intent(in)  :: &
         instance, &
         of
-    end subroutine mech_RGC_partitionDeformation
+    end subroutine mechanical_RGC_partitionDeformation
 
 
-    module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
+    module subroutine mechanical_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
       real(pReal),   dimension (3,3),       intent(out) :: avgP                                     !< average stress at material point
       real(pReal),   dimension (3,3,3,3),   intent(out) :: dAvgPdAvgF                               !< average stiffness at material point
 
       real(pReal),   dimension (:,:,:),     intent(in)  :: P                                        !< partitioned stresses
       real(pReal),   dimension (:,:,:,:,:), intent(in)  :: dPdF                                     !< partitioned stiffnesses
       integer,                              intent(in)  :: instance
-    end subroutine mech_isostrain_averageStressAndItsTangent
+    end subroutine mechanical_isostrain_averageStressAndItsTangent
 
-    module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
+    module subroutine mechanical_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
       real(pReal),   dimension (3,3),       intent(out) :: avgP                                     !< average stress at material point
       real(pReal),   dimension (3,3,3,3),   intent(out) :: dAvgPdAvgF                               !< average stiffness at material point
 
       real(pReal),   dimension (:,:,:),     intent(in)  :: P                                        !< partitioned stresses
       real(pReal),   dimension (:,:,:,:,:), intent(in)  :: dPdF                                     !< partitioned stiffnesses
       integer,                              intent(in)  :: instance
-    end subroutine mech_RGC_averageStressAndItsTangent
+    end subroutine mechanical_RGC_averageStressAndItsTangent
 
 
-    module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
+    module function mechanical_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
       logical, dimension(2) :: doneAndHappy
       real(pReal), dimension(:,:,:),     intent(in)    :: &
         P,&                                                                                         !< partitioned stresses
@@ -63,13 +63,13 @@ submodule(homogenization) mechanics
       integer,                           intent(in) :: &
         ip, &                                                                                       !< integration point number
         el                                                                                          !< element number
-    end function mech_RGC_updateState
+    end function mechanical_RGC_updateState
 
 
-    module subroutine mech_RGC_results(instance,group)
+    module subroutine mechanical_RGC_results(instance,group)
       integer,          intent(in) :: instance                                                      !< homogenization instance
       character(len=*), intent(in) :: group                                                         !< group name in HDF5 file
-    end subroutine mech_RGC_results
+    end subroutine mechanical_RGC_results
 
   end interface
 
@@ -78,7 +78,7 @@ contains
 !--------------------------------------------------------------------------------------------------
 !> @brief Allocate variables and set parameters.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_init(num_homog)
+module subroutine mechanical_init(num_homog)
 
   class(tNode), pointer, intent(in) :: &
     num_homog
@@ -86,7 +86,7 @@ module subroutine mech_init(num_homog)
   class(tNode), pointer :: &
     num_homogMech
 
-  print'(/,a)', ' <<<+-  homogenization:mechanics init  -+>>>'
+  print'(/,a)', ' <<<+-  homogenization:mechanical init  -+>>>'
 
   allocate(homogenization_dPdF(3,3,3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal)
   homogenization_F0 = spread(math_I3,3,discretization_nIPs*discretization_Nelems)                   ! initialize to identity
@@ -94,17 +94,17 @@ module subroutine mech_init(num_homog)
   allocate(homogenization_P(3,3,discretization_nIPs*discretization_Nelems),        source=0.0_pReal)
 
   num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
-  if (any(homogenization_type == HOMOGENIZATION_NONE_ID))      call mech_none_init
+  if (any(homogenization_type == HOMOGENIZATION_NONE_ID))      call mechanical_pass_init
-  if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
+  if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mechanical_isostrain_init
-  if (any(homogenization_type == HOMOGENIZATION_RGC_ID))       call mech_RGC_init(num_homogMech)
+  if (any(homogenization_type == HOMOGENIZATION_RGC_ID))       call mechanical_RGC_init(num_homogMech)
 
-end subroutine mech_init
+end subroutine mechanical_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Partition F onto the individual constituents.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_partition(subF,ip,el)
+module subroutine mechanical_partition(subF,ip,el)
 
   real(pReal), intent(in), dimension(3,3) :: &
     subF
@@ -122,25 +122,25 @@ module subroutine mech_partition(subF,ip,el)
       Fs(1:3,1:3,1) = subF
 
     case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
-      call mech_isostrain_partitionDeformation(Fs,subF)
+      call mechanical_isostrain_partitionDeformation(Fs,subF)
 
     case (HOMOGENIZATION_RGC_ID) chosenHomogenization
-      call mech_RGC_partitionDeformation(Fs,subF,ip,el)
+      call mechanical_RGC_partitionDeformation(Fs,subF,ip,el)
 
   end select chosenHomogenization
 
   do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
-    call constitutive_mech_setF(Fs(1:3,1:3,co),co,ip,el)
+    call phase_mechanical_setF(Fs(1:3,1:3,co),co,ip,el)
   enddo
 
 
-end subroutine mech_partition
+end subroutine mechanical_partition
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Average P and dPdF from the individual constituents.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_homogenize(dt,ip,el)
+module subroutine mechanical_homogenize(dt,ip,el)
 
   real(pReal), intent(in) :: dt
   integer, intent(in) :: &
@@ -156,15 +156,15 @@ module subroutine mech_homogenize(dt,ip,el)
   chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
 
     case (HOMOGENIZATION_NONE_ID) chosenHomogenization
-        homogenization_P(1:3,1:3,ce)            = constitutive_mech_getP(1,ip,el)
+        homogenization_P(1:3,1:3,ce)            = phase_mechanical_getP(1,ip,el)
-        homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = constitutive_mech_dPdF(dt,1,ip,el)
+        homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(dt,1,ip,el)
 
     case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
       do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
-        dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
+        dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ip,el)
-        Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
+        Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
       enddo
-      call mech_isostrain_averageStressAndItsTangent(&
+      call mechanical_isostrain_averageStressAndItsTangent(&
         homogenization_P(1:3,1:3,ce), &
         homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
         Ps,dPdFs, &
@@ -172,10 +172,10 @@ module subroutine mech_homogenize(dt,ip,el)
 
     case (HOMOGENIZATION_RGC_ID) chosenHomogenization
       do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
-        dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
+        dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ip,el)
-        Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
+        Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
       enddo
-      call mech_RGC_averageStressAndItsTangent(&
+      call mechanical_RGC_averageStressAndItsTangent(&
         homogenization_P(1:3,1:3,ce), &
         homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
         Ps,dPdFs, &
@@ -183,14 +183,14 @@ module subroutine mech_homogenize(dt,ip,el)
 
   end select chosenHomogenization
 
-end subroutine mech_homogenize
+end subroutine mechanical_homogenize
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief update the internal state of the homogenization scheme and tell whether "done" and
 !> "happy" with result
 !--------------------------------------------------------------------------------------------------
-module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
+module function mechanical_updateState(subdt,subF,ip,el) result(doneAndHappy)
 
   real(pReal), intent(in) :: &
     subdt                                                                                           !< current time step
@@ -209,24 +209,22 @@ module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
 
   if (homogenization_type(material_homogenizationAt(el)) == HOMOGENIZATION_RGC_ID) then
       do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
-        dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(subdt,co,ip,el)
+        dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(subdt,co,ip,el)
-        Fs(:,:,co)        = constitutive_mech_getF(co,ip,el)
+        Fs(:,:,co)        = phase_mechanical_getF(co,ip,el)
-        Ps(:,:,co)        = constitutive_mech_getP(co,ip,el)
+        Ps(:,:,co)        = phase_mechanical_getP(co,ip,el)
       enddo
-      doneAndHappy = mech_RGC_updateState(Ps,Fs,subF,subdt,dPdFs,ip,el)
+      doneAndHappy = mechanical_RGC_updateState(Ps,Fs,subF,subdt,dPdFs,ip,el)
   else
     doneAndHappy = .true.
   endif
 
-end function mech_updateState
+end function mechanical_updateState
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Write results to file.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_results(group_base,h)
+module subroutine mechanical_results(group_base,h)
-  use material, only: &
-    material_homogenization_type => homogenization_type
 
   character(len=*), intent(in) :: group_base
   integer, intent(in)          :: h
@@ -236,10 +234,10 @@ module subroutine mech_results(group_base,h)
   group = trim(group_base)//'/mech'
   call results_closeGroup(results_addGroup(group))
 
-  select case(material_homogenization_type(h))
+  select case(homogenization_type(h))
 
     case(HOMOGENIZATION_rgc_ID)
-      call mech_RGC_results(homogenization_typeInstance(h),group)
+      call mechanical_RGC_results(homogenization_typeInstance(h),group)
 
   end select
 
@@ -250,7 +248,7 @@ module subroutine mech_results(group_base,h)
   !call results_writeDataset(group,temp,'P',&
   !                          '1st Piola-Kirchhoff stress','Pa')
 
-end subroutine mech_results
+end subroutine mechanical_results
 
 
-end submodule mechanics
+end submodule mechanical

src/homogenization_mechanical_RGC.f90

@@ -6,7 +6,7 @@
 !> @brief Relaxed grain cluster (RGC) homogenization scheme
 !> N_constituents is defined as p x q x r (cluster)
 !--------------------------------------------------------------------------------------------------
-submodule(homogenization:mechanics) RGC
+submodule(homogenization:mechanical) RGC
   use rotations
   use lattice
 
@@ -71,7 +71,7 @@ contains
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all necessary fields, reads information from material configuration file
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_RGC_init(num_homogMech)
+module subroutine mechanical_RGC_init(num_homogMech)
 
   class(tNode), pointer, intent(in) :: &
     num_homogMech                                                                                   !< pointer to mechanical homogenization numerics data
@@ -88,7 +88,7 @@ module subroutine mech_RGC_init(num_homogMech)
     homog, &
     homogMech
 
-  print'(/,a)', ' <<<+-  homogenization:mechanics:RGC init  -+>>>'
+  print'(/,a)', ' <<<+-  homogenization:mechanical:RGC init  -+>>>'
 
   Ninstances = count(homogenization_type == HOMOGENIZATION_RGC_ID)
   print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
@@ -155,7 +155,7 @@ module subroutine mech_RGC_init(num_homogMech)
 
     prm%N_constituents = homogMech%get_asInts('cluster_size',requiredSize=3)
     if (homogenization_Nconstituents(h) /= product(prm%N_constituents)) &
-      call IO_error(211,ext_msg='N_constituents (mech_RGC)')
+      call IO_error(211,ext_msg='N_constituents (mechanical_RGC)')
 
     prm%xi_alpha = homogMech%get_asFloat('xi_alpha')
     prm%c_alpha  = homogMech%get_asFloat('c_alpha')
@@ -190,13 +190,13 @@ module subroutine mech_RGC_init(num_homogMech)
 
   enddo
 
-end subroutine mech_RGC_init
+end subroutine mechanical_RGC_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief partitions the deformation gradient onto the constituents
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
+module subroutine mechanical_RGC_partitionDeformation(F,avgF,instance,of)
 
   real(pReal),   dimension (:,:,:), intent(out) :: F                                                !< partitioned F  per grain
 
@@ -229,14 +229,14 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
 
   end associate
 
-end subroutine mech_RGC_partitionDeformation
+end subroutine mechanical_RGC_partitionDeformation
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief update the internal state of the homogenization scheme and tell whether "done" and
 ! "happy" with result
 !--------------------------------------------------------------------------------------------------
-module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
+module function mechanical_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
       logical, dimension(2) :: doneAndHappy
       real(pReal), dimension(:,:,:),     intent(in)    :: &
         P,&                                                                                         !< partitioned stresses
@@ -658,7 +658,7 @@ module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy
     real(pReal), dimension(6,6) :: C
 
 
-    C = constitutive_homogenizedC(material_phaseAt(grainID,el),material_phaseMemberAt(grainID,ip,el))
+    C = phase_homogenizedC(material_phaseAt(grainID,el),material_phaseMemberAt(grainID,ip,el))
     equivalentMu = lattice_equivalent_mu(C,'voigt')
 
   end function equivalentMu
@@ -704,13 +704,13 @@ module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy
 
   end subroutine grainDeformation
 
-end function mech_RGC_updateState
+end function mechanical_RGC_updateState
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief derive average stress and stiffness from constituent quantities
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
+module subroutine mechanical_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
 
   real(pReal), dimension (3,3),        intent(out) :: avgP                                          !< average stress at material point
   real(pReal), dimension (3,3,3,3),    intent(out) :: dAvgPdAvgF                                    !< average stiffness at material point
@@ -722,13 +722,13 @@ module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ins
   avgP       = sum(P,3)   /real(product(param(instance)%N_constituents),pReal)
   dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%N_constituents),pReal)
 
-end subroutine mech_RGC_averageStressAndItsTangent
+end subroutine mechanical_RGC_averageStressAndItsTangent
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief writes results to HDF5 output file
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_RGC_results(instance,group)
+module subroutine mechanical_RGC_results(instance,group)
 
   integer,          intent(in) :: instance
   character(len=*), intent(in) :: group
@@ -754,7 +754,7 @@ module subroutine mech_RGC_results(instance,group)
   enddo outputsLoop
   end associate
 
-end subroutine mech_RGC_results
+end subroutine mechanical_RGC_results
 
 
 !--------------------------------------------------------------------------------------------------

src/homogenization_mechanical_isostrain.f90

@@ -4,7 +4,7 @@
 !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief Isostrain (full constraint Taylor assuption) homogenization scheme
 !--------------------------------------------------------------------------------------------------
-submodule(homogenization:mechanics) isostrain
+submodule(homogenization:mechanical) isostrain
 
   enum, bind(c); enumerator :: &
     parallel_ID, &
@@ -26,7 +26,7 @@ contains
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all neccessary fields, reads information from material configuration file
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_isostrain_init
+module subroutine mechanical_isostrain_init
 
   integer :: &
     Ninstances, &
@@ -37,7 +37,7 @@ module subroutine mech_isostrain_init
     homog, &
     homogMech
 
-  print'(/,a)', ' <<<+-  homogenization:mechanics:isostrain init  -+>>>'
+  print'(/,a)', ' <<<+-  homogenization:mechanical:isostrain init  -+>>>'
 
   Ninstances = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
   print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
@@ -58,7 +58,7 @@ module subroutine mech_isostrain_init
       case ('avg')
         prm%mapping = average_ID
       case default
-        call IO_error(211,ext_msg='sum'//' (mech_isostrain)')
+        call IO_error(211,ext_msg='sum'//' (mechanical_isostrain)')
     end select
 
     Nmaterialpoints = count(material_homogenizationAt == h)
@@ -70,13 +70,13 @@ module subroutine mech_isostrain_init
 
   enddo
 
-end subroutine mech_isostrain_init
+end subroutine mechanical_isostrain_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief partitions the deformation gradient onto the constituents
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_isostrain_partitionDeformation(F,avgF)
+module subroutine mechanical_isostrain_partitionDeformation(F,avgF)
 
   real(pReal),   dimension (:,:,:), intent(out) :: F                                                !< partitioned deformation gradient
 
@@ -84,13 +84,13 @@ module subroutine mech_isostrain_partitionDeformation(F,avgF)
 
   F = spread(avgF,3,size(F,3))
 
-end subroutine mech_isostrain_partitionDeformation
+end subroutine mechanical_isostrain_partitionDeformation
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief derive average stress and stiffness from constituent quantities
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
+module subroutine mechanical_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
 
   real(pReal),   dimension (3,3),       intent(out) :: avgP                                         !< average stress at material point
   real(pReal),   dimension (3,3,3,3),   intent(out) :: dAvgPdAvgF                                   !< average stiffness at material point
@@ -112,6 +112,6 @@ module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dP
 
   end associate
 
-end subroutine mech_isostrain_averageStressAndItsTangent
+end subroutine mechanical_isostrain_averageStressAndItsTangent
 
 end submodule isostrain

src/homogenization_mechanical_pass.f90

@@ -4,21 +4,21 @@
 !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief dummy homogenization homogenization scheme for 1 constituent per material point
 !--------------------------------------------------------------------------------------------------
-submodule(homogenization:mechanics) none
+submodule(homogenization:mechanical) none
 
 contains
 
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all necessary fields, reads information from material configuration file
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_none_init
+module subroutine mechanical_pass_init
 
   integer :: &
     Ninstances, &
     h, &
     Nmaterialpoints
 
-  print'(/,a)', ' <<<+-  homogenization:mechanics:none init  -+>>>'
+  print'(/,a)', ' <<<+-  homogenization:mechanical:pass init  -+>>>'
 
   Ninstances = count(homogenization_type == HOMOGENIZATION_NONE_ID)
   print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
@@ -27,7 +27,7 @@ module subroutine mech_none_init
     if(homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
 
     if(homogenization_Nconstituents(h) /= 1) &
-      call IO_error(211,ext_msg='N_constituents (mech_none)')
+      call IO_error(211,ext_msg='N_constituents (mechanical_pass)')
 
     Nmaterialpoints = count(material_homogenizationAt == h)
     homogState(h)%sizeState = 0
@@ -36,6 +36,6 @@ module subroutine mech_none_init
 
   enddo
 
-end subroutine mech_none_init
+end subroutine mechanical_pass_init
 
 end submodule none

src/homogenization_thermal.f90

@@ -78,7 +78,7 @@ module subroutine thermal_partition(ce)
   T     = current(material_homogenizationAt2(ce))%T(material_homogenizationMemberAt2(ce))
   dot_T = current(material_homogenizationAt2(ce))%dot_T(material_homogenizationMemberAt2(ce))
   do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
-    call constitutive_thermal_setField(T,dot_T,co,ce)
+    call phase_thermal_setField(T,dot_T,co,ce)
   enddo
 
 end subroutine thermal_partition
@@ -91,7 +91,7 @@ module subroutine thermal_homogenize(ip,el)
 
   integer, intent(in) :: ip,el
 
-  !call constitutive_thermal_getRate(homogenization_dot_T((el-1)*discretization_nIPs+ip), ip,el)
+  !call phase_thermal_getRate(homogenization_dot_T((el-1)*discretization_nIPs+ip), ip,el)
 
 end subroutine thermal_homogenize
 
@@ -235,7 +235,7 @@ module subroutine thermal_conduction_getSource(Tdot, ip,el)
   do co = 1, homogenization_Nconstituents(ho)
      ph = material_phaseAt(co,el)
      me = material_phasememberAt(co,ip,el)
-     call constitutive_thermal_getRate(dot_T_temp, ph,me)
+     call phase_thermal_getRate(dot_T_temp, ph,me)
      Tdot = Tdot + dot_T_temp
   enddo
 

src/lattice.f90

@@ -459,7 +459,8 @@ subroutine lattice_init
     phase, &
     mech, &
     elasticity, &
-    thermal
+    thermal, &
+    damage
 
   print'(/,a)', ' <<<+-  lattice init  -+>>>'; flush(IO_STDOUT)
 
@@ -535,13 +536,17 @@ subroutine lattice_init
     endif
 
 
-    lattice_D(1,1,ph) = phase%get_asFloat('D_11',defaultVal=0.0_pReal)
+    if (phase%contains('damage')) then
-    lattice_D(2,2,ph) = phase%get_asFloat('D_22',defaultVal=0.0_pReal)
+      damage => phase%get('damage')
-    lattice_D(3,3,ph) = phase%get_asFloat('D_33',defaultVal=0.0_pReal)
+      damage => damage%get(1)
-    lattice_D(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,ph), &
+      lattice_D(1,1,ph) = damage%get_asFloat('D_11',defaultVal=0.0_pReal)
+      lattice_D(2,2,ph) = damage%get_asFloat('D_22',defaultVal=0.0_pReal)
+      lattice_D(3,3,ph) = damage%get_asFloat('D_33',defaultVal=0.0_pReal)
+      lattice_D(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,ph), &
                                                           phase%get_asString('lattice'))
 
-    lattice_M(ph) = phase%get_asFloat('M',defaultVal=0.0_pReal)
+      lattice_M(ph) = damage%get_asFloat('M',defaultVal=0.0_pReal)
+    endif
     ! SHOULD NOT BE PART OF LATTICE END
 
     call selfTest

src/material.f90

@@ -6,50 +6,26 @@
 !--------------------------------------------------------------------------------------------------
 module material
   use prec
-  use math
   use config
   use results
   use IO
   use rotations
   use discretization
+  use YAML_types
 
   implicit none
   private
 
-  enum, bind(c); enumerator :: &
+  integer, dimension(:), allocatable, public, protected :: &
-    THERMAL_ISOTHERMAL_ID, &
+    homogenization_Nconstituents                                                                 !< number of grains in each homogenization
-    THERMAL_CONDUCTION_ID, &
-    DAMAGE_NONE_ID, &
-    DAMAGE_NONLOCAL_ID, &
-    HOMOGENIZATION_UNDEFINED_ID, &
-    HOMOGENIZATION_NONE_ID, &
-    HOMOGENIZATION_ISOSTRAIN_ID, &
-    HOMOGENIZATION_RGC_ID
-  end enum
 
   character(len=:), public, protected, allocatable, dimension(:) :: &
     material_name_phase, &                                                                          !< name of each phase
     material_name_homogenization                                                                    !< name of each homogenization
 
-  integer(kind(THERMAL_isothermal_ID)),       dimension(:),   allocatable, public, protected :: &
-    thermal_type                                                                                    !< thermal transport model
-  integer(kind(DAMAGE_none_ID)),              dimension(:),   allocatable, public, protected :: &
-    damage_type                                                                                     !< nonlocal damage model
-  integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:),   allocatable, public, protected :: &
-    homogenization_type                                                                             !< type of each homogenization
-
   integer, public, protected :: &
     homogenization_maxNconstituents                                                                 !< max number of grains in any USED homogenization
 
-  integer, dimension(:), allocatable, public, protected :: &
-    homogenization_Nconstituents, &                                                                 !< number of grains in each homogenization
-    homogenization_typeInstance, &                                                                  !< instance of particular type of each homogenization
-    thermal_typeInstance, &                                                                         !< instance of particular type of each thermal transport
-    damage_typeInstance                                                                             !< instance of particular type of each nonlocal damage
-
-  real(pReal), dimension(:), allocatable, public, protected :: &
-    thermal_initialT                                                                                !< initial temperature per each homogenization
-
   integer, dimension(:),     allocatable, public, protected :: &                                    ! (elem)
     material_homogenizationAt, &                                                                    !< homogenization ID of each element
     material_homogenizationAt2, &                                                                   !< per cell
@@ -63,50 +39,28 @@ module material
   integer, dimension(:,:,:), allocatable, public, protected :: &                                    ! (constituent,IP,elem)
     material_phaseMemberAt                                                                          !< position of the element within its phase instance
 
-  type(tState),        allocatable, dimension(:), public :: &
-    homogState, &
-    damageState_h
-
   type(Rotation), dimension(:,:,:), allocatable, public, protected :: &
     material_orientation0                                                                           !< initial orientation of each grain,IP,element
 
-  type(group_float),  allocatable, dimension(:), public :: &
-    damage                                                                                       !< damage field
-
   public :: &
-    material_init, &
+    material_init
-    THERMAL_ISOTHERMAL_ID, &
-    THERMAL_CONDUCTION_ID, &
-    DAMAGE_NONE_ID, &
-    DAMAGE_NONLOCAL_ID, &
-    HOMOGENIZATION_NONE_ID, &
-    HOMOGENIZATION_ISOSTRAIN_ID, &
-    HOMOGENIZATION_RGC_ID
 
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief parses material configuration file
+!> @brief Parse material configuration file (material.yaml).
 !--------------------------------------------------------------------------------------------------
 subroutine material_init(restart)
 
   logical, intent(in) :: restart
 
+
   print'(/,a)', ' <<<+-  material init  -+>>>'; flush(IO_STDOUT)
 
 
   call material_parseMaterial
   print*, 'Material parsed'
 
-  call material_parseHomogenization
-  print*, 'Homogenization parsed'
-
-
-  allocate(homogState      (size(material_name_homogenization)))
-  allocate(damageState_h     (size(material_name_homogenization)))
-
-  allocate(damage          (size(material_name_homogenization)))
-
 
   if (.not. restart) then
     call results_openJobFile
@@ -118,82 +72,6 @@ subroutine material_init(restart)
 end subroutine material_init
 
 
-!--------------------------------------------------------------------------------------------------
-!> @brief parses the homogenization part from the material configuration
-! ToDo: This should be done in homogenization
-!--------------------------------------------------------------------------------------------------
-subroutine material_parseHomogenization
-
-  class(tNode), pointer :: &
-    material_homogenization, &
-    homog, &
-    homogMech, &
-    homogThermal, &
-    homogDamage
-
-  integer :: h
-
-  material_homogenization => config_material%get('homogenization')
-
-  allocate(homogenization_type(size(material_name_homogenization)),           source=HOMOGENIZATION_undefined_ID)
-  allocate(thermal_type(size(material_name_homogenization)),                  source=THERMAL_isothermal_ID)
-  allocate(damage_type (size(material_name_homogenization)),                  source=DAMAGE_none_ID)
-  allocate(homogenization_typeInstance(size(material_name_homogenization)),   source=0)
-  allocate(thermal_typeInstance(size(material_name_homogenization)),          source=0)
-  allocate(damage_typeInstance(size(material_name_homogenization)),           source=0)
-  allocate(thermal_initialT(size(material_name_homogenization)),              source=300.0_pReal)
-
-  do h=1, size(material_name_homogenization)
-    homog => material_homogenization%get(h)
-    homogMech => homog%get('mechanics')
-    select case (homogMech%get_asString('type'))
-      case('none')
-        homogenization_type(h) = HOMOGENIZATION_NONE_ID
-      case('isostrain')
-        homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
-      case('RGC')
-        homogenization_type(h) = HOMOGENIZATION_RGC_ID
-      case default
-        call IO_error(500,ext_msg=homogMech%get_asString('type'))
-    end select
-
-    homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
-
-    if(homog%contains('thermal')) then
-      homogThermal => homog%get('thermal')
-        thermal_initialT(h) =  homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal)
-
-        select case (homogThermal%get_asString('type'))
-          case('isothermal')
-            thermal_type(h) = THERMAL_isothermal_ID
-          case('conduction')
-            thermal_type(h) = THERMAL_conduction_ID
-          case default
-            call IO_error(500,ext_msg=homogThermal%get_asString('type'))
-        end select
-    endif
-
-    if(homog%contains('damage')) then
-      homogDamage => homog%get('damage')
-        select case (homogDamage%get_asString('type'))
-          case('none')
-            damage_type(h) = DAMAGE_none_ID
-          case('nonlocal')
-            damage_type(h) = DAMAGE_nonlocal_ID
-          case default
-            call IO_error(500,ext_msg=homogDamage%get_asString('type'))
-        end select
-    endif
-  enddo
-
-  do h=1, size(material_name_homogenization)
-    homogenization_typeInstance(h)  = count(homogenization_type(1:h) == homogenization_type(h))
-    thermal_typeInstance(h)         = count(thermal_type       (1:h) == thermal_type       (h))
-    damage_typeInstance(h)          = count(damage_type        (1:h) == damage_type        (h))
-  enddo
-
-end subroutine material_parseHomogenization
-
 
 !--------------------------------------------------------------------------------------------------
 !> @brief parses the material part in the material configuration file
@@ -265,7 +143,7 @@ subroutine material_parseMaterial
     frac = 0.0_pReal
     do co = 1, constituents%length
       constituent => constituents%get(co)
-      frac = frac + constituent%get_asFloat('fraction')
+      frac = frac + constituent%get_asFloat('v')
 
       material_phaseAt(co,el) = phases%getIndex(constituent%get_asString('phase'))
       do ip = 1, discretization_nIPs

src/mesh/DAMASK_mesh.f90

@@ -18,7 +18,7 @@ program DAMASK_mesh
   use config
   use discretization_mesh
   use FEM_Utilities
-  use mesh_mech_FEM
+  use mesh_mechanical_FEM
 
   implicit none
 
@@ -242,7 +242,7 @@ program DAMASK_mesh
   do field = 1, nActiveFields
     select case (loadCases(1)%fieldBC(field)%ID)
       case(FIELD_MECH_ID)
-        call FEM_mech_init(loadCases(1)%fieldBC(field))
+        call FEM_mechanical_init(loadCases(1)%fieldBC(field))
     end select
   enddo
 
@@ -306,7 +306,7 @@ program DAMASK_mesh
         do field = 1, nActiveFields
           select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
             case(FIELD_MECH_ID)
-              call FEM_mech_forward (&
+              call FEM_mechanical_forward (&
                   guess,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
 
          end select
@@ -320,7 +320,7 @@ program DAMASK_mesh
           do field = 1, nActiveFields
             select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
               case(FIELD_MECH_ID)
-                solres(field) = FEM_mech_solution (&
+                solres(field) = FEM_mechanical_solution (&
                       incInfo,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
 
             end select

src/mesh/FEM_utilities.f90

@@ -127,12 +127,12 @@ subroutine FEM_utilities_init
   CHKERRQ(ierr)
   if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
   CHKERRQ(ierr)
-  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls &
+  call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
-                               &-mech_snes_linesearch_type cp -mech_snes_ksp_ew &
+                               &-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
-                               &-mech_snes_ksp_ew_rtol0 0.01 -mech_snes_ksp_ew_rtolmax 0.01 &
+                               &-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
-                               &-mech_ksp_type fgmres -mech_ksp_max_it 25 &
+                               &-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25 &
-                               &-mech_pc_type ml -mech_mg_levels_ksp_type chebyshev &
+                               &-mechanical_pc_type ml -mechanical_mg_levels_ksp_type chebyshev &
-                               &-mech_mg_levels_pc_type sor -mech_pc_ml_nullspace user',ierr)
+                               &-mechanical_mg_levels_pc_type sor -mechanical_pc_ml_nullspace user',ierr)
   CHKERRQ(ierr)
   call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asString('petsc_options',defaultVal=''),ierr)
   CHKERRQ(ierr)

src/mesh/mesh_mech_FEM.f90

@@ -4,7 +4,7 @@
 !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief FEM PETSc solver
 !--------------------------------------------------------------------------------------------------
-module mesh_mech_FEM
+module mesh_mechanical_FEM
 #include <petsc/finclude/petscdmplex.h>
 #include <petsc/finclude/petscdm.h>
 #include <petsc/finclude/petsc.h>
@@ -50,7 +50,7 @@ module mesh_mech_FEM
   type(tNumerics), private :: num 
 !--------------------------------------------------------------------------------------------------
 ! PETSc data
-  SNES                           :: mech_snes
+  SNES                           :: mechanical_snes
   Vec                            :: solution, solution_rate, solution_local
   PetscInt                       :: dimPlex, cellDof, nQuadrature, nBasis
   PetscReal, allocatable, target :: qPoints(:), qWeights(:)
@@ -65,20 +65,20 @@ module mesh_mech_FEM
   real(pReal), parameter :: eps = 1.0e-18_pReal
 
   public :: &
-    FEM_mech_init, &
+    FEM_mechanical_init, &
-    FEM_mech_solution, &
+    FEM_mechanical_solution, &
-    FEM_mech_forward
+    FEM_mechanical_forward
 
 contains
 
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all neccessary fields and fills them with data
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_mech_init(fieldBC)
+subroutine FEM_mechanical_init(fieldBC)
 
   type(tFieldBC),             intent(in) :: fieldBC
 
-  DM                                     :: mech_mesh
+  DM                                     :: mechanical_mesh
   PetscFE                                :: mechFE
   PetscQuadrature                        :: mechQuad, functional
   PetscDS                                :: mechDS
@@ -126,8 +126,8 @@ subroutine FEM_mech_init(fieldBC)
 
 !--------------------------------------------------------------------------------------------------
 ! Setup FEM mech mesh
-  call DMClone(geomMesh,mech_mesh,ierr); CHKERRQ(ierr)
+  call DMClone(geomMesh,mechanical_mesh,ierr); CHKERRQ(ierr)
-  call DMGetDimension(mech_mesh,dimPlex,ierr); CHKERRQ(ierr)
+  call DMGetDimension(mechanical_mesh,dimPlex,ierr); CHKERRQ(ierr)
 
 !--------------------------------------------------------------------------------------------------
 ! Setup FEM mech discretization
@@ -146,22 +146,22 @@ subroutine FEM_mech_init(fieldBC)
   call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
   call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
   nBasis = nBasis/nc
-  call DMAddField(mech_mesh,PETSC_NULL_DMLABEL,mechFE,ierr); CHKERRQ(ierr)
+  call DMAddField(mechanical_mesh,PETSC_NULL_DMLABEL,mechFE,ierr); CHKERRQ(ierr)
-  call DMCreateDS(mech_mesh,ierr); CHKERRQ(ierr)
+  call DMCreateDS(mechanical_mesh,ierr); CHKERRQ(ierr)
-  call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
+  call DMGetDS(mechanical_mesh,mechDS,ierr); CHKERRQ(ierr)
   call PetscDSGetTotalDimension(mechDS,cellDof,ierr); CHKERRQ(ierr)
   call PetscFEDestroy(mechFE,ierr); CHKERRQ(ierr)
   call PetscQuadratureDestroy(mechQuad,ierr); CHKERRQ(ierr)
 
 !--------------------------------------------------------------------------------------------------
 ! Setup FEM mech boundary conditions
-  call DMGetLabel(mech_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
+  call DMGetLabel(mechanical_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
-  call DMPlexLabelComplete(mech_mesh,BCLabel,ierr); CHKERRQ(ierr)
+  call DMPlexLabelComplete(mechanical_mesh,BCLabel,ierr); CHKERRQ(ierr)
-  call DMGetLocalSection(mech_mesh,section,ierr); CHKERRQ(ierr)
+  call DMGetLocalSection(mechanical_mesh,section,ierr); CHKERRQ(ierr)
   allocate(pnumComp(1), source=dimPlex)
   allocate(pnumDof(0:dimPlex), source = 0)
   do topologDim = 0, dimPlex
-    call DMPlexGetDepthStratum(mech_mesh,topologDim,cellStart,cellEnd,ierr)
+    call DMPlexGetDepthStratum(mechanical_mesh,topologDim,cellStart,cellEnd,ierr)
     CHKERRQ(ierr)
     call PetscSectionGetDof(section,cellStart,pnumDof(topologDim),ierr)
     CHKERRQ(ierr)
@@ -179,10 +179,10 @@ subroutine FEM_mech_init(fieldBC)
       numBC = numBC + 1
       call ISCreateGeneral(PETSC_COMM_WORLD,1,[field-1],PETSC_COPY_VALUES,pbcComps(numBC),ierr)
       CHKERRQ(ierr)
-      call DMGetStratumSize(mech_mesh,'Face Sets',mesh_boundaries(faceSet),bcSize,ierr)
+      call DMGetStratumSize(mechanical_mesh,'Face Sets',mesh_boundaries(faceSet),bcSize,ierr)
       CHKERRQ(ierr)
       if (bcSize > 0) then
-        call DMGetStratumIS(mech_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,ierr)
+        call DMGetStratumIS(mechanical_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,ierr)
         CHKERRQ(ierr)
         call ISGetIndicesF90(bcPoint,pBcPoint,ierr); CHKERRQ(ierr)
         call ISCreateGeneral(PETSC_COMM_WORLD,bcSize,pBcPoint,PETSC_COPY_VALUES,pbcPoints(numBC),ierr)
@@ -195,32 +195,32 @@ subroutine FEM_mech_init(fieldBC)
       endif
     endif
   enddo; enddo
-  call DMPlexCreateSection(mech_mesh,nolabel,pNumComp,pNumDof, &
+  call DMPlexCreateSection(mechanical_mesh,nolabel,pNumComp,pNumDof, &
                            numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS,section,ierr)
   CHKERRQ(ierr)
-  call DMSetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
+  call DMSetSection(mechanical_mesh,section,ierr); CHKERRQ(ierr)
   do faceSet = 1, numBC
     call ISDestroy(pbcPoints(faceSet),ierr); CHKERRQ(ierr)
   enddo
 
 !--------------------------------------------------------------------------------------------------
 ! initialize solver specific parts of PETSc
-  call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr);CHKERRQ(ierr)
+  call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,ierr);CHKERRQ(ierr)
-  call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
+  call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',ierr);CHKERRQ(ierr)
-  call SNESSetDM(mech_snes,mech_mesh,ierr); CHKERRQ(ierr)                                           !< set the mesh for non-linear solver
+  call SNESSetDM(mechanical_snes,mechanical_mesh,ierr); CHKERRQ(ierr)                                           !< set the mesh for non-linear solver
-  call DMCreateGlobalVector(mech_mesh,solution        ,ierr); CHKERRQ(ierr)                         !< locally owned displacement Dofs
+  call DMCreateGlobalVector(mechanical_mesh,solution        ,ierr); CHKERRQ(ierr)                         !< locally owned displacement Dofs
-  call DMCreateGlobalVector(mech_mesh,solution_rate   ,ierr); CHKERRQ(ierr)                         !< locally owned velocity Dofs to guess solution at next load step
+  call DMCreateGlobalVector(mechanical_mesh,solution_rate   ,ierr); CHKERRQ(ierr)                         !< locally owned velocity Dofs to guess solution at next load step
-  call DMCreateLocalVector (mech_mesh,solution_local  ,ierr); CHKERRQ(ierr)                         !< locally owned velocity Dofs to guess solution at next load step
+  call DMCreateLocalVector (mechanical_mesh,solution_local  ,ierr); CHKERRQ(ierr)                         !< locally owned velocity Dofs to guess solution at next load step
-  call DMSNESSetFunctionLocal(mech_mesh,FEM_mech_formResidual,PETSC_NULL_VEC,ierr)                  !< function to evaluate residual forces
+  call DMSNESSetFunctionLocal(mechanical_mesh,FEM_mechanical_formResidual,PETSC_NULL_VEC,ierr)                  !< function to evaluate residual forces
   CHKERRQ(ierr)
-  call DMSNESSetJacobianLocal(mech_mesh,FEM_mech_formJacobian,PETSC_NULL_VEC,ierr)                  !< function to evaluate stiffness matrix
+  call DMSNESSetJacobianLocal(mechanical_mesh,FEM_mechanical_formJacobian,PETSC_NULL_VEC,ierr)                  !< function to evaluate stiffness matrix
   CHKERRQ(ierr)
-  call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr)                       !< ignore linear solve failures
+  call SNESSetMaxLinearSolveFailures(mechanical_snes, huge(1), ierr); CHKERRQ(ierr)                       !< ignore linear solve failures
-  call SNESSetConvergenceTest(mech_snes,FEM_mech_converged,PETSC_NULL_VEC,PETSC_NULL_FUNCTION,ierr)
+  call SNESSetConvergenceTest(mechanical_snes,FEM_mechanical_converged,PETSC_NULL_VEC,PETSC_NULL_FUNCTION,ierr)
   CHKERRQ(ierr)
-  call SNESSetTolerances(mech_snes,1.0,0.0,0.0,num%itmax,num%itmax,ierr)
+  call SNESSetTolerances(mechanical_snes,1.0,0.0,0.0,num%itmax,num%itmax,ierr)
   CHKERRQ(ierr)
-  call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr)
+  call SNESSetFromOptions(mechanical_snes,ierr); CHKERRQ(ierr)
 
 !--------------------------------------------------------------------------------------------------
 ! init fields
@@ -236,11 +236,11 @@ subroutine FEM_mech_init(fieldBC)
   call PetscDSGetDiscretization(mechDS,0,mechFE,ierr)
   CHKERRQ(ierr)
   call PetscFEGetDualSpace(mechFE,mechDualSpace,ierr); CHKERRQ(ierr)
-  call DMPlexGetHeightStratum(mech_mesh,0,cellStart,cellEnd,ierr)
+  call DMPlexGetHeightStratum(mechanical_mesh,0,cellStart,cellEnd,ierr)
   CHKERRQ(ierr)
   do cell = cellStart, cellEnd-1                                                                    !< loop over all elements
     x_scal = 0.0_pReal
-    call  DMPlexComputeCellGeometryAffineFEM(mech_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
+    call  DMPlexComputeCellGeometryAffineFEM(mechanical_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
     CHKERRQ(ierr)
     cellJMat = reshape(pCellJ,shape=[dimPlex,dimPlex])
     do basis = 0, nBasis*dimPlex-1, dimPlex
@@ -251,17 +251,17 @@ subroutine FEM_mech_init(fieldBC)
       x_scal(basis+1:basis+dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0_pReal)
     enddo
     px_scal => x_scal
-    call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,5,ierr)
+    call DMPlexVecSetClosure(mechanical_mesh,section,solution_local,cell,px_scal,5,ierr)
     CHKERRQ(ierr)
   enddo
 
-end subroutine FEM_mech_init
+end subroutine FEM_mechanical_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief solution for the FEM load step
 !--------------------------------------------------------------------------------------------------
-type(tSolutionState) function FEM_mech_solution( &
+type(tSolutionState) function FEM_mechanical_solution( &
              incInfoIn,timeinc,timeinc_old,fieldBC)
 
 !--------------------------------------------------------------------------------------------------
@@ -278,35 +278,35 @@ type(tSolutionState) function FEM_mech_solution( &
   SNESConvergedReason :: reason
 
   incInfo = incInfoIn
-  FEM_mech_solution%converged =.false.
+  FEM_mechanical_solution%converged =.false.
 !--------------------------------------------------------------------------------------------------
 ! set module wide availabe data
   params%timeinc = timeinc
   params%fieldBC = fieldBC
 
-  call SNESSolve(mech_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)                             ! solve mech_snes based on solution guess (result in solution)
+  call SNESSolve(mechanical_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)                             ! solve mechanical_snes based on solution guess (result in solution)
-  call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr)                                 ! solution converged?
+  call SNESGetConvergedReason(mechanical_snes,reason,ierr); CHKERRQ(ierr)                                 ! solution converged?
   terminallyIll = .false.
 
   if (reason < 1) then                                                                              ! 0: still iterating (will not occur), negative -> convergence error
-    FEM_mech_solution%converged = .false.
+    FEM_mechanical_solution%converged = .false.
-    FEM_mech_solution%iterationsNeeded = num%itmax
+    FEM_mechanical_solution%iterationsNeeded = num%itmax
   else                                                                                              ! >= 1 proper convergence (or terminally ill)
-    FEM_mech_solution%converged = .true.
+    FEM_mechanical_solution%converged = .true.
-    call SNESGetIterationNumber(mech_snes,FEM_mech_solution%iterationsNeeded,ierr)
+    call SNESGetIterationNumber(mechanical_snes,FEM_mechanical_solution%iterationsNeeded,ierr)
     CHKERRQ(ierr)
   endif
 
   print'(/,a)', ' ==========================================================================='
   flush(IO_STDOUT)
 
-end function FEM_mech_solution
+end function FEM_mechanical_solution
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief forms the FEM residual vector
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
+subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,ierr)
 
   DM                                 :: dm_local
   PetscObject,intent(in)             :: dummy
@@ -431,13 +431,13 @@ subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
   enddo
   call DMRestoreLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
 
-end subroutine FEM_mech_formResidual
+end subroutine FEM_mechanical_formResidual
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief forms the FEM stiffness matrix
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
+subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
 
 
   DM                      :: dm_local
@@ -575,13 +575,13 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
   call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
   call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
 
-end subroutine FEM_mech_formJacobian
+end subroutine FEM_mechanical_formJacobian
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief forwarding routine
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
+subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
 
   type(tFieldBC), intent(in) :: &
     fieldBC
@@ -603,7 +603,7 @@ subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
   if (guess .and. .not. cutBack) then
     ForwardData = .True.
     homogenization_F0 = homogenization_F
-    call SNESGetDM(mech_snes,dm_local,ierr); CHKERRQ(ierr)                                          !< retrieve mesh info from mech_snes into dm_local
+    call SNESGetDM(mechanical_snes,dm_local,ierr); CHKERRQ(ierr)                                          !< retrieve mesh info from mechanical_snes into dm_local
     call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
     call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
     call VecSet(x_local,0.0_pReal,ierr); CHKERRQ(ierr)
@@ -634,13 +634,13 @@ subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
   call VecCopy(solution_rate,solution,ierr); CHKERRQ(ierr)
   call VecScale(solution,timeinc,ierr); CHKERRQ(ierr)
 
-end subroutine FEM_mech_forward
+end subroutine FEM_mechanical_forward
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief reporting
 !--------------------------------------------------------------------------------------------------
-subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
+subroutine FEM_mechanical_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
 
   SNES :: snes_local
   PetscInt :: PETScIter
@@ -662,6 +662,6 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
     ' Piola--Kirchhoff stress / MPa =',transpose(P_av)*1.e-6_pReal
   flush(IO_STDOUT)
 
-end subroutine FEM_mech_converged
+end subroutine FEM_mechanical_converged
 
-end module mesh_mech_FEM
+end module mesh_mechanical_FEM

src/phase.f90

@@ -58,32 +58,28 @@ module phase
   type(tDebugOptions) :: debugCrystallite
 
   integer, dimension(:), allocatable, public :: &                                                   !< ToDo: should be protected (bug in Intel compiler)
-    thermal_Nsources, &
+    phase_elasticityInstance, &
-    phase_Nsources, &                                                                               !< number of source mechanisms active in each phase
+    phase_NstiffnessDegradations
-    phase_Nkinematics, &                                                                            !< number of kinematic mechanisms active in each phase
-    phase_NstiffnessDegradations, &                                                                 !< number of stiffness degradation mechanisms active in each phase
-    phase_plasticityInstance, &                                                                     !< instance of particular plasticity of each phase
-    phase_elasticityInstance                                                                        !< instance of particular elasticity of each phase
 
   logical, dimension(:), allocatable, public :: &                                                   ! ToDo: should be protected (bug in Intel Compiler)
     phase_localPlasticity                                                                           !< flags phases with local constitutive law
 
   type(tPlasticState), allocatable, dimension(:), public :: &
     plasticState
-  type(tSourceState),  allocatable, dimension(:), public :: &
+  type(tState),  allocatable, dimension(:), public :: &
-    damageState, thermalState
+    damageState
 
 
   integer, public, protected :: &
-    constitutive_plasticity_maxSizeDotState, &
+    phase_plasticity_maxSizeDotState, &
-    constitutive_source_maxSizeDotState
+    phase_source_maxSizeDotState
 
   interface
 
 ! == cleaned:begin =================================================================================
-    module subroutine mech_init(phases)
+    module subroutine mechanical_init(phases)
       class(tNode), pointer :: phases
-    end subroutine mech_init
+    end subroutine mechanical_init
 
     module subroutine damage_init
     end subroutine damage_init
@@ -93,83 +89,83 @@ module phase
     end subroutine thermal_init
 
 
-    module subroutine mech_results(group,ph)
+    module subroutine mechanical_results(group,ph)
       character(len=*), intent(in) :: group
       integer,          intent(in) :: ph
-    end subroutine mech_results
+    end subroutine mechanical_results
 
     module subroutine damage_results(group,ph)
       character(len=*), intent(in) :: group
       integer,          intent(in) :: ph
     end subroutine damage_results
 
-    module subroutine mech_windForward(ph,me)
+    module subroutine mechanical_windForward(ph,me)
       integer, intent(in) :: ph, me
-    end subroutine mech_windForward
+    end subroutine mechanical_windForward
 
 
-    module subroutine mech_forward()
+    module subroutine mechanical_forward()
-    end subroutine mech_forward
+    end subroutine mechanical_forward
 
     module subroutine thermal_forward()
     end subroutine thermal_forward
 
 
-    module subroutine mech_restore(ce,includeL)
+    module subroutine mechanical_restore(ce,includeL)
       integer, intent(in) :: ce
       logical, intent(in) :: includeL
-    end subroutine mech_restore
+    end subroutine mechanical_restore
 
 
-    module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
+    module function phase_mechanical_dPdF(dt,co,ip,el) result(dPdF)
       real(pReal), intent(in) :: dt
       integer, intent(in) :: &
         co, &                                                                                       !< counter in constituent loop
         ip, &                                                                                       !< counter in integration point loop
         el                                                                                          !< counter in element loop
       real(pReal), dimension(3,3,3,3) :: dPdF
-    end function constitutive_mech_dPdF
+    end function phase_mechanical_dPdF
 
-    module subroutine mech_restartWrite(groupHandle,ph)
+    module subroutine mechanical_restartWrite(groupHandle,ph)
       integer(HID_T), intent(in) :: groupHandle
       integer, intent(in) :: ph
-    end subroutine mech_restartWrite
+    end subroutine mechanical_restartWrite
 
-    module subroutine mech_restartRead(groupHandle,ph)
+    module subroutine mechanical_restartRead(groupHandle,ph)
       integer(HID_T), intent(in) :: groupHandle
       integer, intent(in) :: ph
-    end subroutine mech_restartRead
+    end subroutine mechanical_restartRead
 
 
-    module function mech_S(ph,me) result(S)
+    module function mechanical_S(ph,me) result(S)
       integer, intent(in) :: ph,me
       real(pReal), dimension(3,3) :: S
-    end function mech_S
+    end function mechanical_S
 
-    module function mech_L_p(ph,me) result(L_p)
+    module function mechanical_L_p(ph,me) result(L_p)
       integer, intent(in) :: ph,me
       real(pReal), dimension(3,3) :: L_p
-    end function mech_L_p
+    end function mechanical_L_p
 
-    module function constitutive_mech_getF(co,ip,el) result(F)
+    module function phase_mechanical_getF(co,ip,el) result(F)
       integer, intent(in) :: co, ip, el
       real(pReal), dimension(3,3) :: F
-    end function constitutive_mech_getF
+    end function phase_mechanical_getF
 
-    module function mech_F_e(ph,me) result(F_e)
+    module function mechanical_F_e(ph,me) result(F_e)
       integer, intent(in) :: ph,me
       real(pReal), dimension(3,3) :: F_e
-    end function mech_F_e
+    end function mechanical_F_e
 
-    module function constitutive_mech_getP(co,ip,el) result(P)
+    module function phase_mechanical_getP(co,ip,el) result(P)
       integer, intent(in) :: co, ip, el
       real(pReal), dimension(3,3) :: P
-    end function constitutive_mech_getP
+    end function phase_mechanical_getP
 
-    module function constitutive_damage_get_phi(co,ip,el) result(phi)
+    module function phase_damage_get_phi(co,ip,el) result(phi)
       integer, intent(in) :: co, ip, el
       real(pReal) :: phi
-    end function constitutive_damage_get_phi
+    end function phase_damage_get_phi
 
     module function thermal_T(ph,me) result(T)
       integer, intent(in) :: ph,me
@@ -181,21 +177,26 @@ module phase
       real(pReal) :: dot_T
     end function thermal_dot_T
 
+    module function damage_phi(ph,me) result(phi)
+      integer, intent(in) :: ph,me
+      real(pReal) :: phi
+    end function damage_phi
 
-    module subroutine constitutive_mech_setF(F,co,ip,el)
+
+    module subroutine phase_mechanical_setF(F,co,ip,el)
       real(pReal), dimension(3,3), intent(in) :: F
       integer, intent(in) :: co, ip, el
-    end subroutine constitutive_mech_setF
+    end subroutine phase_mechanical_setF
 
-    module subroutine constitutive_thermal_setField(T,dot_T, co,ce)
+    module subroutine phase_thermal_setField(T,dot_T, co,ce)
       real(pReal), intent(in) :: T, dot_T
       integer, intent(in) :: ce, co
-    end subroutine constitutive_thermal_setField
+    end subroutine phase_thermal_setField
 
-    module subroutine constitutive_damage_set_phi(phi,co,ce)
+    module subroutine phase_damage_set_phi(phi,co,ce)
       real(pReal), intent(in) :: phi
       integer, intent(in) :: co, ce
-    end subroutine constitutive_damage_set_phi
+    end subroutine phase_damage_set_phi
 
 ! == cleaned:end ===================================================================================
 
@@ -222,13 +223,13 @@ module phase
       logical :: converged_
     end function crystallite_stress
 
-    module function constitutive_homogenizedC(ph,me) result(C)
+    module function phase_homogenizedC(ph,me) result(C)
       integer, intent(in) :: ph, me
       real(pReal), dimension(6,6) :: C
-    end function constitutive_homogenizedC
+    end function phase_homogenizedC
 
 
-    module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
+    module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
       integer, intent(in) :: &
         ip, &                                                                                       !< integration point number
         el                                                                                          !< element number
@@ -237,17 +238,17 @@ module phase
       real(pReal), intent(inout) :: &
         phiDot, &
         dPhiDot_dPhi
-    end subroutine constitutive_damage_getRateAndItsTangents
+    end subroutine phase_damage_getRateAndItsTangents
 
-    module subroutine constitutive_thermal_getRate(TDot, ph,me)
+    module subroutine phase_thermal_getRate(TDot, ph,me)
       integer, intent(in) :: ph, me
       real(pReal), intent(out) :: &
         TDot
-    end subroutine constitutive_thermal_getRate
+    end subroutine phase_thermal_getRate
 
-    module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
+    module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
       integer, intent(in) :: &
-        instance, &
+        ph, &
         i, &
         e
       type(rotation), dimension(1,discretization_nIPs,discretization_Nelems), intent(in) :: &
@@ -261,6 +262,27 @@ module phase
         el                                                                                          !< element
     end subroutine plastic_dependentState
 
+
+    module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
+      integer, intent(in) :: ph, me
+      real(pReal),   intent(in),  dimension(3,3) :: &
+        S
+      real(pReal),   intent(out), dimension(3,3) :: &
+        Ld                                                                                          !< damage velocity gradient
+      real(pReal),   intent(out), dimension(3,3,3,3) :: &
+        dLd_dTstar                                                                                  !< derivative of Ld with respect to Tstar (4th-order tensor)
+    end subroutine kinematics_cleavage_opening_LiAndItsTangent
+
+    module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
+      integer, intent(in) :: ph, me
+      real(pReal),   intent(in),  dimension(3,3) :: &
+        S
+      real(pReal),   intent(out), dimension(3,3) :: &
+        Ld                                                                                          !< damage velocity gradient
+      real(pReal),   intent(out), dimension(3,3,3,3) :: &
+        dLd_dTstar                                                                                  !< derivative of Ld with respect to Tstar (4th-order tensor)
+    end subroutine kinematics_slipplane_opening_LiAndItsTangent
+
   end interface
 
 
@@ -281,39 +303,39 @@ module phase
 #endif
 
   public :: &
-    constitutive_init, &
+    phase_init, &
-    constitutive_homogenizedC, &
+    phase_homogenizedC, &
-    constitutive_damage_getRateAndItsTangents, &
+    phase_damage_getRateAndItsTangents, &
-    constitutive_thermal_getRate, &
+    phase_thermal_getRate, &
-    constitutive_results, &
+    phase_results, &
-    constitutive_allocateState, &
+    phase_allocateState, &
-    constitutive_forward, &
+    phase_forward, &
-    constitutive_restore, &
+    phase_restore, &
     plastic_nonlocal_updateCompatibility, &
     converged, &
     crystallite_init, &
     crystallite_stress, &
     thermal_stress, &
-    constitutive_mech_dPdF, &
+    phase_mechanical_dPdF, &
     crystallite_orientations, &
     crystallite_push33ToRef, &
-    constitutive_restartWrite, &
+    phase_restartWrite, &
-    constitutive_restartRead, &
+    phase_restartRead, &
     integrateDamageState, &
-    constitutive_thermal_setField, &
+    phase_thermal_setField, &
-    constitutive_damage_set_phi, &
+    phase_damage_set_phi, &
-    constitutive_damage_get_phi, &
+    phase_damage_get_phi, &
-    constitutive_mech_getP, &
+    phase_mechanical_getP, &
-    constitutive_mech_setF, &
+    phase_mechanical_setF, &
-    constitutive_mech_getF, &
+    phase_mechanical_getF, &
-    constitutive_windForward
+    phase_windForward
 
 contains
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Initialze constitutive models for individual physics
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_init
+subroutine phase_init
 
   integer :: &
     ph, &                                                                                            !< counter in phase loop
@@ -336,33 +358,31 @@ subroutine constitutive_init
 
   phases => config_material%get('phase')
 
-  call mech_init(phases)
+  call mechanical_init(phases)
   call damage_init
   call thermal_init(phases)
 
 
-  constitutive_source_maxSizeDotState = 0
+  phase_source_maxSizeDotState = 0
   PhaseLoop2:do ph = 1,phases%length
 !--------------------------------------------------------------------------------------------------
 ! partition and initialize state
-    plasticState(ph)%state             = plasticState(ph)%state0
+    plasticState(ph)%state = plasticState(ph)%state0
-    forall(so = 1:phase_Nsources(ph))
+    if(damageState(ph)%sizeState > 0) &
-      damageState(ph)%p(so)%state = damageState(ph)%p(so)%state0
+      damageState(ph)%state  = damageState(ph)%state0
-    end forall
-
-    constitutive_source_maxSizeDotState   = max(constitutive_source_maxSizeDotState, &
-                                                maxval(damageState(ph)%p%sizeDotState))
   enddo PhaseLoop2
-  constitutive_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
 
-end subroutine constitutive_init
+  phase_source_maxSizeDotState     = maxval(damageState%sizeDotState)
+  phase_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
+
+end subroutine phase_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Allocate the components of the state structure for a given phase
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_allocateState(state, &
+subroutine phase_allocateState(state, &
-                                  Nconstituents,sizeState,sizeDotState,sizeDeltaState)
+                               Nconstituents,sizeState,sizeDotState,sizeDeltaState)
 
   class(tState), intent(out) :: &
     state
@@ -387,58 +407,56 @@ subroutine constitutive_allocateState(state, &
   allocate(state%deltaState  (sizeDeltaState,Nconstituents), source=0.0_pReal)
 
 
-end subroutine constitutive_allocateState
+end subroutine phase_allocateState
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Restore data after homog cutback.
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_restore(ce,includeL)
+subroutine phase_restore(ce,includeL)
 
   logical, intent(in) :: includeL
   integer, intent(in) :: ce
 
   integer :: &
-    co, &                                                                                            !< constituent number
+    co
-    so
 
 
   do co = 1,homogenization_Nconstituents(material_homogenizationAt2(ce))
-    do so = 1, phase_Nsources(material_phaseAt2(co,ce))
+    if (damageState(material_phaseAt2(co,ce))%sizeState > 0) &
-      damageState(material_phaseAt2(co,ce))%p(so)%state( :,material_phasememberAt2(co,ce)) = &
+    damageState(material_phaseAt2(co,ce))%state( :,material_phasememberAt2(co,ce)) = &
-      damageState(material_phaseAt2(co,ce))%p(so)%state0(:,material_phasememberAt2(co,ce))
+      damageState(material_phaseAt2(co,ce))%state0(:,material_phasememberAt2(co,ce))
-    enddo
   enddo
 
-  call mech_restore(ce,includeL)
+  call mechanical_restore(ce,includeL)
 
-end subroutine constitutive_restore
+end subroutine phase_restore
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Forward data after successful increment.
 ! ToDo: Any guessing for the current states possible?
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_forward()
+subroutine phase_forward()
 
-  integer :: ph, so
+  integer :: ph
 
 
-  call mech_forward()
+  call mechanical_forward()
   call thermal_forward()
 
   do ph = 1, size(damageState)
-    do so = 1,phase_Nsources(ph)
+    if (damageState(ph)%sizeState > 0) &
-      damageState(ph)%p(so)%state0 = damageState(ph)%p(so)%state
+      damageState(ph)%state0 = damageState(ph)%state
-  enddo; enddo
+  enddo
 
-end subroutine constitutive_forward
+end subroutine phase_forward
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief writes constitutive results to HDF5 output file
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_results()
+subroutine phase_results()
 
   integer :: ph
   character(len=:), allocatable :: group
@@ -451,12 +469,12 @@ subroutine constitutive_results()
     group = '/current/phase/'//trim(material_name_phase(ph))//'/'
     call results_closeGroup(results_addGroup(group))
 
-    call mech_results(group,ph)
+    call mechanical_results(group,ph)
     call damage_results(group,ph)
 
   enddo
 
-end subroutine constitutive_results
+end subroutine phase_results
 
 
 !--------------------------------------------------------------------------------------------------
@@ -526,9 +544,8 @@ subroutine crystallite_init()
   phases => config_material%get('phase')
 
   do ph = 1, phases%length
-    do so = 1, phase_Nsources(ph)
+    if (damageState(ph)%sizeState > 0) &
-      allocate(damageState(ph)%p(so)%subState0,source=damageState(ph)%p(so)%state0)                 ! ToDo: hack
+      allocate(damageState(ph)%subState0,source=damageState(ph)%state0)                 ! ToDo: hack
-    enddo
   enddo
 
   print'(a42,1x,i10)', '    # of elements:                       ', eMax
@@ -557,7 +574,7 @@ end subroutine crystallite_init
 !--------------------------------------------------------------------------------------------------
 !> @brief Wind homog inc forward.
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_windForward(ip,el)
+subroutine phase_windForward(ip,el)
 
   integer, intent(in) :: &
     ip, &                                                                                            !< integration point number
@@ -572,15 +589,14 @@ subroutine constitutive_windForward(ip,el)
     ph = material_phaseAt(co,el)
     me = material_phaseMemberAt(co,ip,el)
 
-    call mech_windForward(ph,me)
+    call mechanical_windForward(ph,me)
+
+    if(damageState(ph)%sizeState > 0) damageState(ph)%state0(:,me) = damageState(ph)%state(:,me)
 
-    do so = 1, phase_Nsources(material_phaseAt(co,el))
-      damageState(ph)%p(so)%state0(:,me) = damageState(ph)%p(so)%state(:,me)
-    enddo
 
   enddo
 
-end subroutine constitutive_windForward
+end subroutine phase_windForward
 
 
 !--------------------------------------------------------------------------------------------------
@@ -595,11 +611,11 @@ subroutine crystallite_orientations(co,ip,el)
 
 
   call crystallite_orientation(co,ip,el)%fromMatrix(transpose(math_rotationalPart(&
-    mech_F_e(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))))
+    mechanical_F_e(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))))
 
   if (plasticState(material_phaseAt(1,el))%nonlocal) &
     call plastic_nonlocal_updateCompatibility(crystallite_orientation, &
-                                              phase_plasticityInstance(material_phaseAt(1,el)),ip,el)
+                                              material_phaseAt(1,el),ip,el)
 
 
 end subroutine crystallite_orientations
@@ -620,7 +636,7 @@ function crystallite_push33ToRef(co,ip,el, tensor33)
   real(pReal), dimension(3,3)             :: T
 
 
-  T = matmul(material_orientation0(co,ip,el)%asMatrix(),transpose(math_inv33(constitutive_mech_getF(co,ip,el)))) ! ToDo: initial orientation correct?
+  T = matmul(material_orientation0(co,ip,el)%asMatrix(),transpose(math_inv33(phase_mechanical_getF(co,ip,el)))) ! ToDo: initial orientation correct?
 
   crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))
 
@@ -648,7 +664,7 @@ end function converged
 !> @brief Write current  restart information (Field and constitutive data) to file.
 ! ToDo: Merge data into one file for MPI
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_restartWrite(fileHandle)
+subroutine phase_restartWrite(fileHandle)
 
   integer(HID_T), intent(in) :: fileHandle
 
@@ -662,7 +678,7 @@ subroutine constitutive_restartWrite(fileHandle)
 
     groupHandle(2) = HDF5_addGroup(groupHandle(1),material_name_phase(ph))
 
-    call mech_restartWrite(groupHandle(2),ph)
+    call mechanical_restartWrite(groupHandle(2),ph)
 
     call HDF5_closeGroup(groupHandle(2))
 
@@ -670,14 +686,14 @@ subroutine constitutive_restartWrite(fileHandle)
 
   call HDF5_closeGroup(groupHandle(1))
 
-end subroutine constitutive_restartWrite
+end subroutine phase_restartWrite
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Read data for restart
 ! ToDo: Merge data into one file for MPI
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_restartRead(fileHandle)
+subroutine phase_restartRead(fileHandle)
 
   integer(HID_T), intent(in) :: fileHandle
 
@@ -691,7 +707,7 @@ subroutine constitutive_restartRead(fileHandle)
 
     groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_phase(ph))
 
-    call mech_restartRead(groupHandle(2),ph)
+    call mechanical_restartRead(groupHandle(2),ph)
 
     call HDF5_closeGroup(groupHandle(2))
 
@@ -699,7 +715,7 @@ subroutine constitutive_restartRead(fileHandle)
 
   call HDF5_closeGroup(groupHandle(1))
 
-end subroutine constitutive_restartRead
+end subroutine phase_restartRead
 
 
 end module phase

src/phase_damage.f90

@@ -15,110 +15,92 @@ submodule(phase) damagee
     real(pReal), dimension(:), allocatable :: phi, d_phi_d_dot_phi
   end type tDataContainer
 
-  integer(kind(DAMAGE_UNDEFINED_ID)),     dimension(:,:), allocatable :: &
+  integer(kind(DAMAGE_UNDEFINED_ID)),     dimension(:), allocatable :: &
     phase_source                                                                                !< active sources mechanisms of each phase
 
+  integer, dimension(:), allocatable :: &
+    phase_Nsources
+
   type(tDataContainer), dimension(:), allocatable :: current
 
   interface
 
-    module function anisobrittle_init(source_length) result(mySources)
+    module function anisobrittle_init() result(mySources)
-      integer, intent(in) :: source_length
+      logical, dimension(:), allocatable :: mySources
-      logical, dimension(:,:), allocatable :: mySources
     end function anisobrittle_init
 
-    module function anisoductile_init(source_length) result(mySources)
+    module function anisoductile_init() result(mySources)
-      integer, intent(in) :: source_length
+      logical, dimension(:), allocatable :: mySources
-      logical, dimension(:,:), allocatable :: mySources
     end function anisoductile_init
 
-    module function isobrittle_init(source_length) result(mySources)
+    module function isobrittle_init() result(mySources)
-      integer, intent(in) :: source_length
+      logical, dimension(:), allocatable :: mySources
-      logical, dimension(:,:), allocatable :: mySources
     end function isobrittle_init
 
-    module function isoductile_init(source_length) result(mySources)
+    module function isoductile_init() result(mySources)
-      integer, intent(in) :: source_length
+      logical, dimension(:), allocatable :: mySources
-      logical, dimension(:,:), allocatable :: mySources
     end function isoductile_init
 
 
-    module subroutine source_damage_isoBrittle_deltaState(C, Fe, ph, me)
+    module subroutine isobrittle_deltaState(C, Fe, ph, me)
       integer, intent(in) :: ph,me
       real(pReal),  intent(in), dimension(3,3) :: &
         Fe
       real(pReal),  intent(in), dimension(6,6) :: &
         C
-    end subroutine source_damage_isoBrittle_deltaState
+    end subroutine isobrittle_deltaState
 
 
-    module subroutine anisobrittle_dotState(S, co, ip, el)
+    module subroutine anisobrittle_dotState(S, ph, me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        co, &                                                                                      !< component-ID of integration point
-        ip, &                                                                                       !< integration point
-        el                                                                                          !< element
       real(pReal),  intent(in), dimension(3,3) :: &
         S
     end subroutine anisobrittle_dotState
 
-    module subroutine anisoductile_dotState(co, ip, el)
+    module subroutine anisoductile_dotState(ph,me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        co, &                                                                                      !< component-ID of integration point
-        ip, &                                                                                       !< integration point
-        el                                                                                          !< element
     end subroutine anisoductile_dotState
 
-    module subroutine isoductile_dotState(co, ip, el)
+    module subroutine isoductile_dotState(ph,me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        co, &                                                                                      !< component-ID of integration point
-        ip, &                                                                                       !< integration point
-        el                                                                                          !< element
     end subroutine isoductile_dotState
 
 
-    module subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+    module subroutine anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        phase, &                                                                                      !< phase ID of element
-        constituent                                                                                   !< position of element within its phase instance
       real(pReal),  intent(in) :: &
         phi                                                                                           !< damage parameter
       real(pReal),  intent(out) :: &
         localphiDot, &
         dLocalphiDot_dPhi
-    end subroutine source_damage_anisoBrittle_getRateAndItsTangent
+    end subroutine anisobrittle_getRateAndItsTangent
 
-    module subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+    module subroutine anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        phase, &                                                                                      !< phase ID of element
-        constituent                                                                                   !< position of element within its phase instance
       real(pReal),  intent(in) :: &
         phi                                                                                           !< damage parameter
       real(pReal),  intent(out) :: &
         localphiDot, &
         dLocalphiDot_dPhi
-    end subroutine source_damage_anisoDuctile_getRateAndItsTangent
+    end subroutine anisoductile_getRateAndItsTangent
 
-    module subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+    module subroutine isobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        phase, &                                                                                      !< phase ID of element
-        constituent                                                                                   !< position of element within its phase instance
       real(pReal),  intent(in) :: &
         phi                                                                                           !< damage parameter
       real(pReal),  intent(out) :: &
         localphiDot, &
         dLocalphiDot_dPhi
-    end subroutine source_damage_isoBrittle_getRateAndItsTangent
+    end subroutine isobrittle_getRateAndItsTangent
 
-    module subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+    module subroutine isoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
-      integer, intent(in) :: &
+      integer, intent(in) :: ph,me
-        phase, &                                                                                      !< phase ID of element
-        constituent                                                                                   !< position of element within its phase instance
       real(pReal),  intent(in) :: &
         phi                                                                                           !< damage parameter
       real(pReal),  intent(out) :: &
         localphiDot, &
         dLocalphiDot_dPhi
-    end subroutine source_damage_isoDuctile_getRateAndItsTangent
+    end subroutine isoductile_getRateAndItsTangent
 
     module subroutine anisobrittle_results(phase,group)
       integer,          intent(in) :: phase
@@ -175,19 +157,20 @@ module subroutine damage_init
     allocate(current(ph)%d_phi_d_dot_phi(Nconstituents),source=0.0_pReal)
 
     phase => phases%get(ph)
-    sources => phase%get('source',defaultVal=emptyList)
+    sources => phase%get('damage',defaultVal=emptyList)
+    if (sources%length > 1) error stop
     phase_Nsources(ph) = sources%length
-    allocate(damageState(ph)%p(phase_Nsources(ph)))
+
   enddo
 
-  allocate(phase_source(maxval(phase_Nsources),phases%length), source = DAMAGE_UNDEFINED_ID)
+  allocate(phase_source(phases%length), source = DAMAGE_UNDEFINED_ID)
 
 ! initialize source mechanisms
   if(maxval(phase_Nsources) /= 0) then
-    where(isobrittle_init   (maxval(phase_Nsources))) phase_source = DAMAGE_ISOBRITTLE_ID
+    where(isobrittle_init()  ) phase_source = DAMAGE_ISOBRITTLE_ID
-    where(isoductile_init   (maxval(phase_Nsources))) phase_source = DAMAGE_ISODUCTILE_ID
+    where(isoductile_init()  ) phase_source = DAMAGE_ISODUCTILE_ID
-    where(anisobrittle_init (maxval(phase_Nsources))) phase_source = DAMAGE_ANISOBRITTLE_ID
+    where(anisobrittle_init()) phase_source = DAMAGE_ANISOBRITTLE_ID
-    where(anisoductile_init (maxval(phase_Nsources))) phase_source = DAMAGE_ANISODUCTILE_ID
+    where(anisoductile_init()) phase_source = DAMAGE_ANISODUCTILE_ID
   endif
 
 end subroutine damage_init
@@ -196,7 +179,7 @@ end subroutine damage_init
 !----------------------------------------------------------------------------------------------
 !< @brief returns local part of nonlocal damage driving force
 !----------------------------------------------------------------------------------------------
-module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
+module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
 
   integer, intent(in) :: &
     ip, &                                                                                           !< integration point number
@@ -213,7 +196,6 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
   integer :: &
     ph, &
     co, &
-    so, &
     me
 
    phiDot = 0.0_pReal
@@ -222,19 +204,19 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
    do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
      ph = material_phaseAt(co,el)
      me = material_phasememberAt(co,ip,el)
-     do so = 1, phase_Nsources(ph)
+
-       select case(phase_source(so,ph))
+       select case(phase_source(ph))
          case (DAMAGE_ISOBRITTLE_ID)
-           call source_damage_isobrittle_getRateAndItsTangent  (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
+           call isobrittle_getRateAndItsTangent  (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
 
          case (DAMAGE_ISODUCTILE_ID)
-           call source_damage_isoductile_getRateAndItsTangent  (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
+           call isoductile_getRateAndItsTangent  (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
 
          case (DAMAGE_ANISOBRITTLE_ID)
-           call source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
+           call anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
 
          case (DAMAGE_ANISODUCTILE_ID)
-           call source_damage_anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
+           call anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
 
          case default
          localphiDot = 0.0_pReal
@@ -243,10 +225,9 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
       end select
       phiDot = phiDot + localphiDot
       dPhiDot_dPhi = dPhiDot_dPhi + dLocalphiDot_dPhi
-    enddo
   enddo
 
-end subroutine constitutive_damage_getRateAndItsTangents
+end subroutine phase_damage_getRateAndItsTangents
 
 
 
@@ -267,60 +248,55 @@ module function integrateDamageState(dt,co,ip,el) result(broken)
     NiterationState, &                                                                              !< number of iterations in state loop
     ph, &
     me, &
-    so
-  integer, dimension(maxval(phase_Nsources)) :: &
     size_so
   real(pReal) :: &
     zeta
-  real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
+  real(pReal), dimension(phase_source_maxSizeDotState) :: &
     r                                                                                               ! state residuum
-  real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
+  real(pReal), dimension(phase_source_maxSizeDotState,2) :: source_dotState
   logical :: &
     converged_
 
-
   ph = material_phaseAt(co,el)
   me = material_phaseMemberAt(co,ip,el)
 
+  if (damageState(ph)%sizeState == 0) then
+    broken = .false.
+    return
+  endif
+
   converged_ = .true.
-  broken = constitutive_damage_collectDotState(co,ip,el,ph,me)
+  broken = phase_damage_collectDotState(ph,me)
   if(broken) return
 
-  do so = 1, phase_Nsources(ph)
+    size_so = damageState(ph)%sizeDotState
-    size_so(so) = damageState(ph)%p(so)%sizeDotState
+    damageState(ph)%state(1:size_so,me) = damageState(ph)%subState0(1:size_so,me) &
-    damageState(ph)%p(so)%state(1:size_so(so),me) = damageState(ph)%p(so)%subState0(1:size_so(so),me) &
+                                        + damageState(ph)%dotState (1:size_so,me) * dt
-                                                  + damageState(ph)%p(so)%dotState (1:size_so(so),me) * dt
+    source_dotState(1:size_so,2) = 0.0_pReal
-    source_dotState(1:size_so(so),2,so) = 0.0_pReal
-  enddo
 
   iteration: do NiterationState = 1, num%nState
 
-    do so = 1, phase_Nsources(ph)
+    if(nIterationState > 1) source_dotState(1:size_so,2) = source_dotState(1:size_so,1)
-      if(nIterationState > 1) source_dotState(1:size_so(so),2,so) = source_dotState(1:size_so(so),1,so)
+    source_dotState(1:size_so,1) = damageState(ph)%dotState(:,me)
-      source_dotState(1:size_so(so),1,so) = damageState(ph)%p(so)%dotState(:,me)
-    enddo
 
-    broken = constitutive_damage_collectDotState(co,ip,el,ph,me)
+    broken = phase_damage_collectDotState(ph,me)
     if(broken) exit iteration
 
-    do so = 1, phase_Nsources(ph)
+
-      zeta = damper(damageState(ph)%p(so)%dotState(:,me), &
+      zeta = damper(damageState(ph)%dotState(:,me),source_dotState(1:size_so,1),source_dotState(1:size_so,2))
-                    source_dotState(1:size_so(so),1,so),&
+      damageState(ph)%dotState(:,me) = damageState(ph)%dotState(:,me) * zeta &
-                    source_dotState(1:size_so(so),2,so))
+                                    + source_dotState(1:size_so,1)* (1.0_pReal - zeta)
-      damageState(ph)%p(so)%dotState(:,me) = damageState(ph)%p(so)%dotState(:,me) * zeta &
+      r(1:size_so) = damageState(ph)%state    (1:size_so,me)  &
-                                        + source_dotState(1:size_so(so),1,so)* (1.0_pReal - zeta)
+                   - damageState(ph)%subState0(1:size_so,me)  &
-      r(1:size_so(so)) = damageState(ph)%p(so)%state    (1:size_so(so),me)  &
+                   - damageState(ph)%dotState (1:size_so,me) * dt
-                       - damageState(ph)%p(so)%subState0(1:size_so(so),me)  &
+      damageState(ph)%state(1:size_so,me) = damageState(ph)%state(1:size_so,me) - r(1:size_so)
-                       - damageState(ph)%p(so)%dotState (1:size_so(so),me) * dt
+      converged_ = converged_  .and. converged(r(1:size_so), &
-      damageState(ph)%p(so)%state(1:size_so(so),me) = damageState(ph)%p(so)%state(1:size_so(so),me) &
+                                               damageState(ph)%state(1:size_so,me), &
-                                                - r(1:size_so(so))
+                                               damageState(ph)%atol(1:size_so))
-      converged_ = converged_  .and. converged(r(1:size_so(so)), &
+
-                                               damageState(ph)%p(so)%state(1:size_so(so),me), &
-                                               damageState(ph)%p(so)%atol(1:size_so(so)))
-    enddo
 
     if(converged_) then
-      broken = constitutive_damage_deltaState(mech_F_e(ph,me),ph,me)
+      broken = phase_damage_deltaState(mechanical_F_e(ph,me),ph,me)
       exit iteration
     endif
 
@@ -366,10 +342,10 @@ module subroutine damage_results(group,ph)
 
   sourceLoop: do so = 1, phase_Nsources(ph)
 
-  if (phase_source(so,ph) /= DAMAGE_UNDEFINED_ID) &
+  if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) &
     call results_closeGroup(results_addGroup(group//'sources/')) ! should be 'damage'
 
-    sourceType: select case (phase_source(so,ph))
+    sourceType: select case (phase_source(ph))
 
       case (DAMAGE_ISOBRITTLE_ID) sourceType
         call isobrittle_results(ph,group//'sources/')
@@ -393,41 +369,36 @@ end subroutine damage_results
 !--------------------------------------------------------------------------------------------------
 !> @brief contains the constitutive equation for calculating the rate of change of microstructure
 !--------------------------------------------------------------------------------------------------
-function constitutive_damage_collectDotState(co,ip,el,ph,me) result(broken)
+function phase_damage_collectDotState(ph,me) result(broken)
 
   integer, intent(in) :: &
-    co, &                                                                                          !< component-ID me integration point
-    ip, &                                                                                           !< integration point
-    el, &                                                                                           !< element
     ph, &
-    me
+    me                                                                                         !< counter in source loop
-  integer :: &
-    so                                                                                               !< counter in source loop
   logical :: broken
 
 
   broken = .false.
 
-  SourceLoop: do so = 1, phase_Nsources(ph)
+  if (damageState(ph)%sizeState > 0) then
 
-    sourceType: select case (phase_source(so,ph))
+    sourceType: select case (phase_source(ph))
 
       case (DAMAGE_ISODUCTILE_ID) sourceType
-        call isoductile_dotState(co, ip, el)
+        call isoductile_dotState(ph,me)
 
       case (DAMAGE_ANISODUCTILE_ID) sourceType
-        call anisoductile_dotState(co, ip, el)
+        call anisoductile_dotState(ph,me)
 
       case (DAMAGE_ANISOBRITTLE_ID) sourceType
-        call anisobrittle_dotState(mech_S(ph,me),co, ip, el) ! correct stress?
+        call anisobrittle_dotState(mechanical_S(ph,me), ph,me) ! correct stress?
 
     end select sourceType
 
-    broken = broken .or. any(IEEE_is_NaN(damageState(ph)%p(so)%dotState(:,me)))
+    broken = broken .or. any(IEEE_is_NaN(damageState(ph)%dotState(:,me)))
 
-  enddo SourceLoop
+  endif
 
-end function constitutive_damage_collectDotState
+end function phase_damage_collectDotState
 
 
 
@@ -435,7 +406,7 @@ end function constitutive_damage_collectDotState
 !> @brief for constitutive models having an instantaneous change of state
 !> will return false if delta state is not needed/supported by the constitutive model
 !--------------------------------------------------------------------------------------------------
-function constitutive_damage_deltaState(Fe, ph, me) result(broken)
+function phase_damage_deltaState(Fe, ph, me) result(broken)
 
   integer, intent(in) :: &
     ph, &
@@ -443,7 +414,6 @@ function constitutive_damage_deltaState(Fe, ph, me) result(broken)
   real(pReal),   intent(in), dimension(3,3) :: &
     Fe                                                                                              !< elastic deformation gradient
   integer :: &
-    so, &
     myOffset, &
     mySize
   logical :: &
@@ -452,52 +422,48 @@ function constitutive_damage_deltaState(Fe, ph, me) result(broken)
 
   broken = .false.
 
-  sourceLoop: do so = 1, phase_Nsources(ph)
+  if (damageState(ph)%sizeState == 0) return
 
-     sourceType: select case (phase_source(so,ph))
+     sourceType: select case (phase_source(ph))
 
       case (DAMAGE_ISOBRITTLE_ID) sourceType
-        call source_damage_isoBrittle_deltaState(constitutive_homogenizedC(ph,me), Fe, ph,me)
+        call isobrittle_deltaState(phase_homogenizedC(ph,me), Fe, ph,me)
-        broken = any(IEEE_is_NaN(damageState(ph)%p(so)%deltaState(:,me)))
+        broken = any(IEEE_is_NaN(damageState(ph)%deltaState(:,me)))
         if(.not. broken) then
-          myOffset = damageState(ph)%p(so)%offsetDeltaState
+          myOffset = damageState(ph)%offsetDeltaState
-          mySize   = damageState(ph)%p(so)%sizeDeltaState
+          mySize   = damageState(ph)%sizeDeltaState
-          damageState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,me) = &
+          damageState(ph)%state(myOffset + 1: myOffset + mySize,me) = &
-          damageState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,me) + damageState(ph)%p(so)%deltaState(1:mySize,me)
+          damageState(ph)%state(myOffset + 1: myOffset + mySize,me) + damageState(ph)%deltaState(1:mySize,me)
         endif
 
     end select sourceType
 
-  enddo SourceLoop
 
-end function constitutive_damage_deltaState
+end function phase_damage_deltaState
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief checks if a source mechanism is active or not
 !--------------------------------------------------------------------------------------------------
-function source_active(source_label,src_length)  result(active_source)
+function source_active(source_label)  result(active_source)
 
   character(len=*), intent(in)         :: source_label                                              !< name of source mechanism
-  integer,          intent(in)         :: src_length                                                !< max. number of sources in system
+  logical, dimension(:), allocatable  :: active_source
-  logical, dimension(:,:), allocatable :: active_source
 
   class(tNode), pointer :: &
     phases, &
     phase, &
     sources, &
     src
-  integer :: p,s
+  integer :: ph
 
   phases => config_material%get('phase')
-  allocate(active_source(src_length,phases%length), source = .false. )
+  allocate(active_source(phases%length))
-  do p = 1, phases%length
+  do ph = 1, phases%length
-    phase => phases%get(p)
+    phase => phases%get(ph)
-    sources => phase%get('source',defaultVal=emptyList)
+    sources => phase%get('damage',defaultVal=emptyList)
-    do s = 1, sources%length
+    src => sources%get(1)
-      src => sources%get(s)
+    active_source(ph) = src%get_asString('type',defaultVal = 'x') == source_label
-      if(src%get_asString('type') == source_label) active_source(s,p) = .true.
-    enddo
   enddo
 
 
@@ -507,7 +473,7 @@ end function source_active
 !----------------------------------------------------------------------------------------------
 !< @brief Set damage parameter
 !----------------------------------------------------------------------------------------------
-module subroutine constitutive_damage_set_phi(phi,co,ce)
+module subroutine phase_damage_set_phi(phi,co,ce)
 
   real(pReal), intent(in) :: phi
   integer, intent(in) :: ce, co
@@ -515,17 +481,28 @@ module subroutine constitutive_damage_set_phi(phi,co,ce)
 
   current(material_phaseAt2(co,ce))%phi(material_phaseMemberAt2(co,ce)) = phi
 
-end subroutine constitutive_damage_set_phi
+end subroutine phase_damage_set_phi
 
 
-module function constitutive_damage_get_phi(co,ip,el) result(phi)
+module function phase_damage_get_phi(co,ip,el) result(phi)
 
   integer, intent(in) :: co, ip, el
   real(pReal) :: phi
 
   phi = current(material_phaseAt(co,el))%phi(material_phaseMemberAt(co,ip,el))
 
-end function constitutive_damage_get_phi
+end function phase_damage_get_phi
+
+
+module function damage_phi(ph,me) result(phi)
+
+  integer, intent(in) :: ph, me
+  real(pReal) :: phi
+
+
+  phi = current(ph)%phi(me)
+
+end function damage_phi
 
 
 end submodule damagee

src/phase_damage_anisobrittle.f90

@@ -6,10 +6,6 @@
 !--------------------------------------------------------------------------------------------------
 submodule (phase:damagee) anisobrittle
 
-  integer,                       dimension(:),           allocatable :: &
-    source_damage_anisoBrittle_offset, &                                                            !< which source is my current source mechanism?
-    source_damage_anisoBrittle_instance                                                             !< instance of source mechanism
-
   type :: tParameters                                                                               !< container type for internal constitutive parameters
     real(pReal) :: &
       dot_o, &                                                                                      !< opening rate of cleavage planes
@@ -35,42 +31,38 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-module function anisobrittle_init(source_length) result(mySources)
+module function anisobrittle_init() result(mySources)
 
-  integer, intent(in)                  :: source_length
+  logical, dimension(:), allocatable :: mySources
-  logical, dimension(:,:), allocatable :: mySources
 
   class(tNode), pointer :: &
     phases, &
     phase, &
     sources, &
     src
-  integer :: Ninstances,sourceOffset,Nconstituents,p
+  integer :: Nconstituents,p
   integer, dimension(:), allocatable :: N_cl
   character(len=pStringLen) :: extmsg = ''
 
-  print'(/,a)', ' <<<+-  phase:damage:anisobrittle init  -+>>>'
 
-  mySources = source_active('damage_anisoBrittle',source_length)
+  mySources = source_active('anisobrittle')
-  Ninstances = count(mySources)
+  if(count(mySources) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:damage:anisobrittle init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
+
 
   phases => config_material%get('phase')
-  allocate(param(Ninstances))
+  allocate(param(phases%length))
-  allocate(source_damage_anisoBrittle_offset  (phases%length), source=0)
+
-  allocate(source_damage_anisoBrittle_instance(phases%length), source=0)
 
   do p = 1, phases%length
+    if(mySources(p)) then
     phase => phases%get(p)
-    if(any(mySources(:,p))) source_damage_anisoBrittle_instance(p) = count(mySources(:,1:p))
+    sources => phase%get('damage')
-    if(count(mySources(:,p)) == 0) cycle
+
-    sources => phase%get('source')
+        associate(prm  => param(p))
-    do sourceOffset = 1, sources%length
+        src => sources%get(1)
-      if(mySources(sourceOffset,p)) then
-        source_damage_anisoBrittle_offset(p) = sourceOffset
-        associate(prm  => param(source_damage_anisoBrittle_instance(p)))
-        src => sources%get(sourceOffset)
 
         N_cl = src%get_asInts('N_cl',defaultVal=emptyIntArray)
         prm%sum_N_cl = sum(abs(N_cl))
@@ -101,9 +93,9 @@ module function anisobrittle_init(source_length) result(mySources)
         if (any(prm%s_crit <  0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
 
         Nconstituents = count(material_phaseAt==p) * discretization_nIPs
-        call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
+        call phase_allocateState(damageState(p),Nconstituents,1,1,0)
-        damageState(p)%p(sourceOffset)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
+        damageState(p)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
-        if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
+        if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
 
         end associate
 
@@ -111,7 +103,7 @@ module function anisobrittle_init(source_length) result(mySources)
 !  exit if any parameter is out of range
         if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_anisoBrittle)')
       endif
-    enddo
+
   enddo
 
 end function anisobrittle_init
@@ -120,18 +112,14 @@ end function anisobrittle_init
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates derived quantities from state
 !--------------------------------------------------------------------------------------------------
-module subroutine anisobrittle_dotState(S, co, ip, el)
+module subroutine anisobrittle_dotState(S, ph,me)
 
   integer, intent(in) :: &
-    co, &                                                                                          !< component-ID of integration point
+    ph,me
-    ip, &                                                                                           !< integration point
-    el                                                                                              !< element
   real(pReal),  intent(in), dimension(3,3) :: &
     S
 
   integer :: &
-    ph, &
-    me, &
     sourceOffset, &
     damageOffset, &
     homog, &
@@ -139,28 +127,22 @@ module subroutine anisobrittle_dotState(S, co, ip, el)
   real(pReal) :: &
     traction_d, traction_t, traction_n, traction_crit
 
-  ph = material_phaseAt(co,el)
-  me = material_phasememberAt(co,ip,el)
-  sourceOffset = source_damage_anisoBrittle_offset(ph)
-  homog = material_homogenizationAt(el)
-  damageOffset = material_homogenizationMemberAt(ip,el)
 
-  associate(prm => param(source_damage_anisoBrittle_instance(ph)))
+  associate(prm => param(ph))
-  damageState(ph)%p(sourceOffset)%dotState(1,me) = 0.0_pReal
+    damageState(ph)%dotState(1,me) = 0.0_pReal
-  do i = 1, prm%sum_N_cl
+    do i = 1, prm%sum_N_cl
-    traction_d    = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
+      traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
-    traction_t    = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
+      traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
-    traction_n    = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
+      traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
 
-    traction_crit = prm%g_crit(i)*damage(homog)%p(damageOffset)**2.0_pReal
+      traction_crit = prm%g_crit(i)*damage_phi(ph,me)**2.0_pReal
 
-    damageState(ph)%p(sourceOffset)%dotState(1,me) &
+      damageState(ph)%dotState(1,me) = damageState(ph)%dotState(1,me) &
-    = damageState(ph)%p(sourceOffset)%dotState(1,me) &
+          + prm%dot_o / prm%s_crit(i) &
-    + prm%dot_o / prm%s_crit(i) &
+            * ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
-      * ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
+               (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
-         (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
+               (max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%q)
-         (max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%q)
+    enddo
-  enddo
   end associate
 
 end subroutine anisobrittle_dotState
@@ -169,28 +151,24 @@ end subroutine anisobrittle_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local part of nonlocal damage driving force
 !--------------------------------------------------------------------------------------------------
-module subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+module subroutine anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
 
   integer, intent(in) :: &
-    phase, &
+    ph, &
-    constituent
+    me
   real(pReal),  intent(in) :: &
     phi
   real(pReal),  intent(out) :: &
     localphiDot, &
     dLocalphiDot_dPhi
 
-  integer :: &
-    sourceOffset
 
-  sourceOffset = source_damage_anisoBrittle_offset(phase)
+  dLocalphiDot_dPhi = -damageState(ph)%state(1,me)
-
-  dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
 
   localphiDot = 1.0_pReal &
               + dLocalphiDot_dPhi*phi
 
-end subroutine source_damage_anisoBrittle_getRateAndItsTangent
+end subroutine anisobrittle_getRateAndItsTangent
 
 
 !--------------------------------------------------------------------------------------------------
@@ -203,16 +181,78 @@ module subroutine anisobrittle_results(phase,group)
 
   integer :: o
 
-  associate(prm => param(source_damage_anisoBrittle_instance(phase)), &
+
-            stt => damageState(phase)%p(source_damage_anisoBrittle_offset(phase))%state)
+  associate(prm => param(phase), stt => damageState(phase)%state)
-  outputsLoop: do o = 1,size(prm%output)
+    outputsLoop: do o = 1,size(prm%output)
-    select case(trim(prm%output(o)))
+      select case(trim(prm%output(o)))
-      case ('f_phi')
+        case ('f_phi')
-        call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
+          call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
-    end select
+      end select
-  enddo outputsLoop
+    enddo outputsLoop
   end associate
 
 end subroutine anisobrittle_results
 
+
+!--------------------------------------------------------------------------------------------------
+!> @brief  contains the constitutive equation for calculating the velocity gradient
+!--------------------------------------------------------------------------------------------------
+module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
+
+  integer, intent(in) :: &
+    ph,me
+  real(pReal),   intent(in),  dimension(3,3) :: &
+    S
+  real(pReal),   intent(out), dimension(3,3) :: &
+    Ld                                                                                              !< damage velocity gradient
+  real(pReal),   intent(out), dimension(3,3,3,3) :: &
+    dLd_dTstar                                                                                      !< derivative of Ld with respect to Tstar (4th-order tensor)
+
+  integer :: &
+    i, k, l, m, n
+  real(pReal) :: &
+    traction_d, traction_t, traction_n, traction_crit, &
+    udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
+
+
+  Ld = 0.0_pReal
+  dLd_dTstar = 0.0_pReal
+  associate(prm => param(ph))
+  do i = 1,prm%sum_N_cl
+    traction_crit = prm%g_crit(i)*damage_phi(ph,me)**2.0_pReal
+
+    traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
+    if (abs(traction_d) > traction_crit + tol_math_check) then
+      udotd = sign(1.0_pReal,traction_d)* prm%dot_o * ((abs(traction_d) - traction_crit)/traction_crit)**prm%q
+      Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i)
+      dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%q / (abs(traction_d) - traction_crit)
+      forall (k=1:3,l=1:3,m=1:3,n=1:3) &
+        dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+                            + dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i)
+    endif
+
+    traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
+    if (abs(traction_t) > traction_crit + tol_math_check) then
+      udott = sign(1.0_pReal,traction_t)* prm%dot_o * ((abs(traction_t) - traction_crit)/traction_crit)**prm%q
+      Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i)
+      dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%q / (abs(traction_t) - traction_crit)
+      forall (k=1:3,l=1:3,m=1:3,n=1:3) &
+        dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+                            + dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i)
+    endif
+
+    traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
+    if (abs(traction_n) > traction_crit + tol_math_check) then
+      udotn = sign(1.0_pReal,traction_n)* prm%dot_o * ((abs(traction_n) - traction_crit)/traction_crit)**prm%q
+      Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i)
+      dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%q / (abs(traction_n) - traction_crit)
+      forall (k=1:3,l=1:3,m=1:3,n=1:3) &
+        dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+                            + dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i)
+    endif
+  enddo
+  end associate
+
+end subroutine kinematics_cleavage_opening_LiAndItsTangent
+
 end submodule anisobrittle

src/phase_damage_anisoductile.f90

@@ -6,10 +6,6 @@
 !--------------------------------------------------------------------------------------------------
 submodule(phase:damagee) anisoductile
 
-  integer,                       dimension(:),           allocatable :: &
-    source_damage_anisoDuctile_offset, &                                                            !< which source is my current damage mechanism?
-    source_damage_anisoDuctile_instance                                                             !< instance of damage source mechanism
-
   type :: tParameters                                                                               !< container type for internal constitutive parameters
     real(pReal) :: &
       q                                                                                             !< damage rate sensitivity
@@ -19,7 +15,7 @@ submodule(phase:damagee) anisoductile
       output
   end type tParameters
 
-  type(tParameters), dimension(:), allocatable :: param                                             !< containers of constitutive parameters (len Ninstances)
+  type(tParameters), dimension(:), allocatable :: param                                             !< containers of constitutive parameters
 
 contains
 
@@ -28,10 +24,9 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-module function anisoductile_init(source_length) result(mySources)
+module function anisoductile_init() result(mySources)
 
-  integer, intent(in)                  :: source_length
+  logical, dimension(:), allocatable :: mySources
-  logical, dimension(:,:), allocatable :: mySources
 
   class(tNode), pointer :: &
     phases, &
@@ -40,34 +35,31 @@ module function anisoductile_init(source_length) result(mySources)
     pl, &
     sources, &
     src
-  integer :: Ninstances,sourceOffset,Nconstituents,p
+  integer :: Ninstances,Nconstituents,p
   integer, dimension(:), allocatable :: N_sl
   character(len=pStringLen) :: extmsg = ''
 
-  print'(/,a)', ' <<<+-  phase:damage:anisoductile init  -+>>>'
 
-  mySources = source_active('damage_anisoDuctile',source_length)
+  mySources = source_active('anisoductile')
-  Ninstances = count(mySources)
+  if(count(mySources) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:damage:anisoductile init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
+
 
   phases => config_material%get('phase')
-  allocate(param(Ninstances))
+  allocate(param(phases%length))
-  allocate(source_damage_anisoDuctile_offset  (phases%length), source=0)
-  allocate(source_damage_anisoDuctile_instance(phases%length), source=0)
 
   do p = 1, phases%length
-    phase => phases%get(p)
+    if(mySources(p)) then
-    if(any(mySources(:,p))) source_damage_anisoDuctile_instance(p) = count(mySources(:,1:p))
+      phase => phases%get(p)
-    if(count(mySources(:,p)) == 0) cycle
+      mech  => phase%get('mechanics')
-    mech  => phase%get('mechanics')
+      pl    => mech%get('plasticity')
-    pl    => mech%get('plasticity')
+      sources => phase%get('damage')
-    sources => phase%get('source')
+
-    do sourceOffset = 1, sources%length
+
-      if(mySources(sourceOffset,p)) then
+        associate(prm  => param(p))
-        source_damage_anisoDuctile_offset(p) = sourceOffset
+        src => sources%get(1)
-        associate(prm  => param(source_damage_anisoDuctile_instance(p)))
-        src => sources%get(sourceOffset)
 
         N_sl           = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
         prm%q          = src%get_asFloat('q')
@@ -86,10 +78,10 @@ module function anisoductile_init(source_length) result(mySources)
         if (prm%q              <= 0.0_pReal)  extmsg = trim(extmsg)//' q'
         if (any(prm%gamma_crit <  0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit'
 
-        Nconstituents=count(material_phaseAt==p) * discretization_nIPs
+        Nconstituents=count(material_phaseAt2==p)
-        call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
+        call phase_allocateState(damageState(p),Nconstituents,1,1,0)
-        damageState(p)%p(sourceOffset)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal)
+        damageState(p)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal)
-        if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
+        if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
 
         end associate
 
@@ -97,7 +89,7 @@ module function anisoductile_init(source_length) result(mySources)
 !  exit if any parameter is out of range
         if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_anisoDuctile)')
       endif
-    enddo
+
   enddo
 
 
@@ -107,29 +99,15 @@ end function anisoductile_init
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates derived quantities from state
 !--------------------------------------------------------------------------------------------------
-module subroutine anisoductile_dotState(co, ip, el)
+module subroutine anisoductile_dotState(ph,me)
 
   integer, intent(in) :: &
-    co, &                                                                                          !< component-ID of integration point
-    ip, &                                                                                           !< integration point
-    el                                                                                              !< element
-
-  integer :: &
     ph, &
-    me, &
+    me
-    sourceOffset, &
-    damageOffset, &
-    homog
 
-  ph = material_phaseAt(co,el)
-  me = material_phasememberAt(co,ip,el)
-  sourceOffset = source_damage_anisoDuctile_offset(ph)
-  homog = material_homogenizationAt(el)
-  damageOffset = material_homogenizationMemberAt(ip,el)
 
-  associate(prm => param(source_damage_anisoDuctile_instance(ph)))
+  associate(prm => param(ph))
-  damageState(ph)%p(sourceOffset)%dotState(1,me) &
+    damageState(ph)%dotState(1,me) = sum(plasticState(ph)%slipRate(:,me)/(damage_phi(ph,me)**prm%q)/prm%gamma_crit)
-    = sum(plasticState(ph)%slipRate(:,me)/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit)
   end associate
 
 end subroutine anisoductile_dotState
@@ -138,28 +116,24 @@ end subroutine anisoductile_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local part of nonlocal damage driving force
 !--------------------------------------------------------------------------------------------------
-module subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+module subroutine anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
 
   integer, intent(in) :: &
-    phase, &
+    ph, &
-    constituent
+    me
   real(pReal),  intent(in) :: &
     phi
   real(pReal),  intent(out) :: &
     localphiDot, &
     dLocalphiDot_dPhi
 
-  integer :: &
-    sourceOffset
 
-  sourceOffset = source_damage_anisoDuctile_offset(phase)
+  dLocalphiDot_dPhi = -damageState(ph)%state(1,me)
-
-  dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
 
   localphiDot = 1.0_pReal &
               + dLocalphiDot_dPhi*phi
 
-end subroutine source_damage_anisoDuctile_getRateAndItsTangent
+end subroutine anisoductile_getRateAndItsTangent
 
 
 !--------------------------------------------------------------------------------------------------
@@ -172,14 +146,14 @@ module subroutine anisoductile_results(phase,group)
 
   integer :: o
 
-  associate(prm => param(source_damage_anisoDuctile_instance(phase)), &
+
-            stt => damageState(phase)%p(source_damage_anisoDuctile_offset(phase))%state)
+  associate(prm => param(phase), stt => damageState(phase)%state)
-  outputsLoop: do o = 1,size(prm%output)
+    outputsLoop: do o = 1,size(prm%output)
-    select case(trim(prm%output(o)))
+      select case(trim(prm%output(o)))
-      case ('f_phi')
+        case ('f_phi')
-        call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
+          call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
-    end select
+      end select
-  enddo outputsLoop
+    enddo outputsLoop
   end associate
 
 end subroutine anisoductile_results

src/phase_damage_isobrittle.f90

@@ -6,10 +6,6 @@
 !--------------------------------------------------------------------------------------------------
 submodule(phase:damagee) isobrittle
 
-  integer,                       dimension(:),           allocatable :: &
-    source_damage_isoBrittle_offset, &
-    source_damage_isoBrittle_instance
-
   type :: tParameters                                                                               !< container type for internal constitutive parameters
     real(pReal) :: &
       W_crit                                                                                        !< critical elastic strain energy
@@ -26,41 +22,36 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-module function isobrittle_init(source_length) result(mySources)
+module function isobrittle_init() result(mySources)
 
-  integer, intent(in)                  :: source_length
+  logical, dimension(:), allocatable :: mySources
-  logical, dimension(:,:), allocatable :: mySources
 
   class(tNode), pointer :: &
     phases, &
     phase, &
     sources, &
     src
-  integer :: Ninstances,sourceOffset,Nconstituents,p
+  integer :: Nconstituents,p
   character(len=pStringLen) :: extmsg = ''
 
-  print'(/,a)', ' <<<+-  phase:damage:isobrittle init  -+>>>'
 
-  mySources = source_active('damage_isoBrittle',source_length)
+  mySources = source_active('isobrittle')
-  Ninstances = count(mySources)
+  if(count(mySources) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:damage:isobrittle init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
+
 
   phases => config_material%get('phase')
-  allocate(param(Ninstances))
+  allocate(param(phases%length))
-  allocate(source_damage_isoBrittle_offset  (phases%length), source=0)
-  allocate(source_damage_isoBrittle_instance(phases%length), source=0)
 
   do p = 1, phases%length
+    if(mySources(p)) then
     phase => phases%get(p)
-    if(any(mySources(:,p))) source_damage_isoBrittle_instance(p) = count(mySources(:,1:p))
+    sources => phase%get('damage')
-    if(count(mySources(:,p)) == 0) cycle
+
-    sources => phase%get('source')
+        associate(prm  => param(p))
-    do sourceOffset = 1, sources%length
+        src => sources%get(1)
-      if(mySources(sourceOffset,p)) then
-        source_damage_isoBrittle_offset(p) = sourceOffset
-        associate(prm  => param(source_damage_isoBrittle_instance(p)))
-        src => sources%get(sourceOffset)
 
         prm%W_crit = src%get_asFloat('W_crit')
 
@@ -73,10 +64,10 @@ module function isobrittle_init(source_length) result(mySources)
         ! sanity checks
         if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
 
-        Nconstituents = count(material_phaseAt==p) * discretization_nIPs
+        Nconstituents = count(material_phaseAt2==p)
-        call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,1)
+        call phase_allocateState(damageState(p),Nconstituents,1,1,1)
-        damageState(p)%p(sourceOffset)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
+        damageState(p)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
-        if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
+        if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
 
         end associate
 
@@ -84,7 +75,7 @@ module function isobrittle_init(source_length) result(mySources)
 !  exit if any parameter is out of range
         if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoBrittle)')
       endif
-    enddo
+
   enddo
 
 
@@ -94,7 +85,7 @@ end function isobrittle_init
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates derived quantities from state
 !--------------------------------------------------------------------------------------------------
-module subroutine source_damage_isoBrittle_deltaState(C, Fe, ph,me)
+module subroutine isobrittle_deltaState(C, Fe, ph,me)
 
   integer, intent(in) :: ph,me
   real(pReal),  intent(in), dimension(3,3) :: &
@@ -102,60 +93,47 @@ module subroutine source_damage_isoBrittle_deltaState(C, Fe, ph,me)
   real(pReal),  intent(in), dimension(6,6) :: &
     C
 
-  integer :: &
-    sourceOffset
   real(pReal), dimension(6) :: &
     strain
   real(pReal) :: &
     strainenergy
 
-  sourceOffset = source_damage_isoBrittle_offset(ph)
 
   strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
 
-  associate(prm => param(source_damage_isoBrittle_instance(ph)))
+  associate(prm => param(ph))
-  strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
+    strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
-  ! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit
+    ! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit
 
-  if (strainenergy > damageState(ph)%p(sourceOffset)%subState0(1,me)) then
+    damageState(ph)%deltaState(1,me) = merge(strainenergy - damageState(ph)%state(1,me), &
-    damageState(ph)%p(sourceOffset)%deltaState(1,me) = &
+                                             damageState(ph)%subState0(1,me) - damageState(ph)%state(1,me), &
-      strainenergy - damageState(ph)%p(sourceOffset)%state(1,me)
+                                             strainenergy > damageState(ph)%subState0(1,me))
-  else
-    damageState(ph)%p(sourceOffset)%deltaState(1,me) = &
-      damageState(ph)%p(sourceOffset)%subState0(1,me) - &
-      damageState(ph)%p(sourceOffset)%state(1,me)
-  endif
   end associate
 
-end subroutine source_damage_isoBrittle_deltaState
+end subroutine isobrittle_deltaState
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local part of nonlocal damage driving force
 !--------------------------------------------------------------------------------------------------
-module subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+module subroutine isobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi,  ph, me)
 
   integer, intent(in) :: &
-    phase, &
+    ph, me
-    constituent
   real(pReal),  intent(in) :: &
     phi
   real(pReal),  intent(out) :: &
     localphiDot, &
     dLocalphiDot_dPhi
 
-  integer :: &
-    sourceOffset
 
-  sourceOffset = source_damage_isoBrittle_offset(phase)
+  associate(prm => param(ph))
-
+    localphiDot = 1.0_pReal &
-  associate(prm => param(source_damage_isoBrittle_instance(phase)))
+                - phi*damageState(ph)%state(1,me)
-  localphiDot = 1.0_pReal &
+    dLocalphiDot_dPhi = - damageState(ph)%state(1,me)
-              - phi*damageState(phase)%p(sourceOffset)%state(1,constituent)
-  dLocalphiDot_dPhi = - damageState(phase)%p(sourceOffset)%state(1,constituent)
   end associate
 
-end subroutine source_damage_isoBrittle_getRateAndItsTangent
+end subroutine isobrittle_getRateAndItsTangent
 
 
 !--------------------------------------------------------------------------------------------------
@@ -168,14 +146,15 @@ module subroutine isobrittle_results(phase,group)
 
   integer :: o
 
-  associate(prm => param(source_damage_isoBrittle_instance(phase)), &
+
-            stt => damageState(phase)%p(source_damage_isoBrittle_offset(phase))%state)
+  associate(prm => param(phase), &
-  outputsLoop: do o = 1,size(prm%output)
+            stt => damageState(phase)%state)
-    select case(trim(prm%output(o)))
+    outputsLoop: do o = 1,size(prm%output)
-      case ('f_phi')
+      select case(trim(prm%output(o)))
-        call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
+        case ('f_phi')
-    end select
+          call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
-  enddo outputsLoop
+      end select
+    enddo outputsLoop
   end associate
 
 end subroutine isobrittle_results

src/phase_damage_isoductile.f90

@@ -6,10 +6,6 @@
 !--------------------------------------------------------------------------------------------------
 submodule(phase:damagee) isoductile
 
-  integer,                       dimension(:),           allocatable :: &
-    source_damage_isoDuctile_offset, &                                                              !< which source is my current damage mechanism?
-    source_damage_isoDuctile_instance                                                               !< instance of damage source mechanism
-
   type:: tParameters                                                                                !< container type for internal constitutive parameters
     real(pReal) :: &
       gamma_crit, &                                                                                 !< critical plastic strain
@@ -28,41 +24,36 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-module function isoductile_init(source_length) result(mySources)
+module function isoductile_init() result(mySources)
 
-  integer, intent(in)                  :: source_length
+  logical, dimension(:), allocatable :: mySources
-  logical, dimension(:,:), allocatable :: mySources
 
   class(tNode), pointer :: &
     phases, &
     phase, &
     sources, &
     src
-  integer :: Ninstances,sourceOffset,Nconstituents,p
+  integer :: Ninstances,Nconstituents,p
   character(len=pStringLen) :: extmsg = ''
 
-  print'(/,a)', ' <<<+-  phase:damage:isoductile init  -+>>>'
 
-  mySources = source_active('damage_isoDuctile',source_length)
+  mySources = source_active('isoductile')
-  Ninstances = count(mySources)
+  if(count(mySources) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:damage:isoductile init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
+
 
   phases => config_material%get('phase')
-  allocate(param(Ninstances))
+  allocate(param(phases%length))
-  allocate(source_damage_isoDuctile_offset  (phases%length), source=0)
-  allocate(source_damage_isoDuctile_instance(phases%length), source=0)
 
   do p = 1, phases%length
-    phase => phases%get(p)
+    if(mySources(p)) then
-    if(count(mySources(:,p)) == 0) cycle
+      phase => phases%get(p)
-    if(any(mySources(:,p))) source_damage_isoDuctile_instance(p) = count(mySources(:,1:p))
+      sources => phase%get('damage')
-    sources => phase%get('source')
+
-    do sourceOffset = 1, sources%length
+        associate(prm  => param(p))
-      if(mySources(sourceOffset,p)) then
+        src => sources%get(1)
-        source_damage_isoDuctile_offset(p) = sourceOffset
-        associate(prm  => param(source_damage_isoDuctile_instance(p)))
-        src => sources%get(sourceOffset)
 
         prm%q          = src%get_asFloat('q')
         prm%gamma_crit = src%get_asFloat('gamma_crit')
@@ -77,10 +68,10 @@ module function isoductile_init(source_length) result(mySources)
         if (prm%q          <= 0.0_pReal) extmsg = trim(extmsg)//' q'
         if (prm%gamma_crit <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit'
 
-        Nconstituents=count(material_phaseAt==p) * discretization_nIPs
+        Nconstituents=count(material_phaseAt2==p)
-        call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
+        call phase_allocateState(damageState(p),Nconstituents,1,1,0)
-        damageState(p)%p(sourceOffset)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
+        damageState(p)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
-        if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
+        if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
 
         end associate
 
@@ -88,7 +79,6 @@ module function isoductile_init(source_length) result(mySources)
 !  exit if any parameter is out of range
         if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoDuctile)')
       endif
-    enddo
   enddo
 
 
@@ -98,29 +88,16 @@ end function isoductile_init
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates derived quantities from state
 !--------------------------------------------------------------------------------------------------
-module subroutine isoductile_dotState(co, ip, el)
+module subroutine isoductile_dotState(ph, me)
 
   integer, intent(in) :: &
-    co, &                                                                                          !< component-ID of integration point
-    ip, &                                                                                           !< integration point
-    el                                                                                              !< element
-
-  integer :: &
     ph, &
-    me, &
+    me
-    sourceOffset, &
-    damageOffset, &
-    homog
 
-  ph = material_phaseAt(co,el)
-  me = material_phasememberAt(co,ip,el)
-  sourceOffset = source_damage_isoDuctile_offset(ph)
-  homog = material_homogenizationAt(el)
-  damageOffset = material_homogenizationMemberAt(ip,el)
 
-  associate(prm => param(source_damage_isoDuctile_instance(ph)))
+  associate(prm => param(ph))
-  damageState(ph)%p(sourceOffset)%dotState(1,me) = &
+    damageState(ph)%dotState(1,me) = sum(plasticState(ph)%slipRate(:,me)) &
-    sum(plasticState(ph)%slipRate(:,me))/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit
+                                   / (prm%gamma_crit*damage_phi(ph,me)**prm%q)
   end associate
 
 end subroutine isoductile_dotState
@@ -129,28 +106,24 @@ end subroutine isoductile_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief returns local part of nonlocal damage driving force
 !--------------------------------------------------------------------------------------------------
-module subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
+module subroutine isoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
 
   integer, intent(in) :: &
-    phase, &
+    ph, &
-    constituent
+    me
   real(pReal),  intent(in) :: &
     phi
   real(pReal),  intent(out) :: &
     localphiDot, &
     dLocalphiDot_dPhi
 
-  integer :: &
-    sourceOffset
 
-  sourceOffset = source_damage_isoDuctile_offset(phase)
+  dLocalphiDot_dPhi = -damageState(ph)%state(1,me)
-
-  dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
 
   localphiDot = 1.0_pReal &
               + dLocalphiDot_dPhi*phi
 
-end subroutine source_damage_isoDuctile_getRateAndItsTangent
+end subroutine isoductile_getRateAndItsTangent
 
 
 !--------------------------------------------------------------------------------------------------
@@ -163,14 +136,13 @@ module subroutine isoductile_results(phase,group)
 
   integer :: o
 
-  associate(prm => param(source_damage_isoDuctile_instance(phase)), &
+  associate(prm => param(phase), stt => damageState(phase)%state)
-            stt => damageState(phase)%p(source_damage_isoDuctile_offset(phase))%state)
+    outputsLoop: do o = 1,size(prm%output)
-  outputsLoop: do o = 1,size(prm%output)
+      select case(trim(prm%output(o)))
-    select case(trim(prm%output(o)))
+        case ('f_phi')
-      case ('f_phi')
+          call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
-        call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
+      end select
-    end select
+    enddo outputsLoop
-  enddo outputsLoop
   end associate
 
 end subroutine isoductile_results

src/phase_mechanical.f90

@@ -1,7 +1,8 @@
 !----------------------------------------------------------------------------------------------------
 !> @brief internal microstructure state for all plasticity constitutive models
 !----------------------------------------------------------------------------------------------------
-submodule(phase) mechanics
+submodule(phase) mechanical
+
 
   enum, bind(c); enumerator :: &
     ELASTICITY_UNDEFINED_ID, &
@@ -22,8 +23,6 @@ submodule(phase) mechanics
     KINEMATICS_THERMAL_EXPANSION_ID
   end enum
 
-  integer(kind(KINEMATICS_UNDEFINED_ID)),     dimension(:,:), allocatable :: &
-    phase_kinematics
   integer(kind(ELASTICITY_UNDEFINED_ID)), dimension(:),   allocatable :: &
     phase_elasticity                                                                                !< elasticity of each phase
   integer(kind(STIFFNESS_DEGRADATION_UNDEFINED_ID)),     dimension(:,:), allocatable :: &
@@ -31,21 +30,21 @@ submodule(phase) mechanics
 
   type(tTensorContainer), dimension(:), allocatable :: &
     ! current value
-    constitutive_mech_Fe, &
+    phase_mechanical_Fe, &
-    constitutive_mech_Fi, &
+    phase_mechanical_Fi, &
-    constitutive_mech_Fp, &
+    phase_mechanical_Fp, &
-    constitutive_mech_F, &
+    phase_mechanical_F, &
-    constitutive_mech_Li, &
+    phase_mechanical_Li, &
-    constitutive_mech_Lp, &
+    phase_mechanical_Lp, &
-    constitutive_mech_S, &
+    phase_mechanical_S, &
-    constitutive_mech_P, &
+    phase_mechanical_P, &
     ! converged value at end of last solver increment
-    constitutive_mech_Fi0, &
+    phase_mechanical_Fi0, &
-    constitutive_mech_Fp0, &
+    phase_mechanical_Fp0, &
-    constitutive_mech_F0, &
+    phase_mechanical_F0, &
-    constitutive_mech_Li0, &
+    phase_mechanical_Li0, &
-    constitutive_mech_Lp0, &
+    phase_mechanical_Lp0, &
-    constitutive_mech_S0
+    phase_mechanical_S0
 
 
   integer(kind(PLASTICITY_undefined_ID)), dimension(:),   allocatable :: &
@@ -61,7 +60,7 @@ submodule(phase) mechanics
     module subroutine plastic_init
     end subroutine plastic_init
 
-    module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
+    module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,me)
       real(pReal), dimension(3,3),     intent(out) :: &
         Li                                                                                          !< inleastic velocity gradient
       real(pReal), dimension(3,3,3,3), intent(out)  :: &
@@ -69,7 +68,7 @@ submodule(phase) mechanics
       real(pReal), dimension(3,3),     intent(in) :: &
         Mi                                                                                          !< Mandel stress
       integer,                         intent(in) :: &
-        instance, &
+        ph, &
         me
     end subroutine plastic_isotropic_LiAndItsTangent
 
@@ -86,24 +85,18 @@ submodule(phase) mechanics
       logical :: broken
     end function plastic_dotState
 
-    module function plastic_deltaState(co, ip, el, ph, me) result(broken)
+    module function plastic_deltaState(ph, me) result(broken)
       integer, intent(in) :: &
-        co, &                                                                                          !< component-ID of integration point
-        ip, &                                                                                           !< integration point
-        el, &                                                                                           !< element
         ph, &
         me
       logical :: &
         broken
     end function plastic_deltaState
 
-    module subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
+    module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
-                                             S, Fi, co, ip, el)
+                                             S, Fi, ph,me)
-
       integer, intent(in) :: &
-        co, &                                                                                          !< component-ID of integration point
+        ph,me
-        ip, &                                                                                           !< integration point
-        el                                                                                              !< element
       real(pReal),   intent(in),  dimension(3,3) :: &
         S                                                                                               !< 2nd Piola-Kirchhoff stress
       real(pReal),   intent(in),  dimension(3,3) :: &
@@ -114,15 +107,13 @@ submodule(phase) mechanics
         dLi_dS, &                                                                                       !< derivative of Li with respect to S
         dLi_dFi
 
-    end subroutine constitutive_LiAndItsTangents
+    end subroutine phase_LiAndItsTangents
 
 
     module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
-                                         S, Fi, co, ip, el)
+                                               S, Fi, ph,me)
       integer, intent(in) :: &
-        co, &                                                                                           !< component-ID of integration point
+        ph,me
-        ip, &                                                                                           !< integration point
-        el                                                                                              !< element
       real(pReal),   intent(in),  dimension(3,3) :: &
         S, &                                                                                            !< 2nd Piola-Kirchhoff stress
         Fi                                                                                              !< intermediate deformation gradient
@@ -134,33 +125,33 @@ submodule(phase) mechanics
     end subroutine plastic_LpAndItsTangents
 
 
-    module subroutine plastic_isotropic_results(instance,group)
+    module subroutine plastic_isotropic_results(ph,group)
-      integer,          intent(in) :: instance
+      integer,          intent(in) :: ph
       character(len=*), intent(in) :: group
     end subroutine plastic_isotropic_results
 
-    module subroutine plastic_phenopowerlaw_results(instance,group)
+    module subroutine plastic_phenopowerlaw_results(ph,group)
-      integer,          intent(in) :: instance
+      integer,          intent(in) :: ph
       character(len=*), intent(in) :: group
     end subroutine plastic_phenopowerlaw_results
 
-    module subroutine plastic_kinehardening_results(instance,group)
+    module subroutine plastic_kinehardening_results(ph,group)
-      integer,          intent(in) :: instance
+      integer,          intent(in) :: ph
       character(len=*), intent(in) :: group
     end subroutine plastic_kinehardening_results
 
-    module subroutine plastic_dislotwin_results(instance,group)
+    module subroutine plastic_dislotwin_results(ph,group)
-      integer,          intent(in) :: instance
+      integer,          intent(in) :: ph
       character(len=*), intent(in) :: group
     end subroutine plastic_dislotwin_results
 
-    module subroutine plastic_dislotungsten_results(instance,group)
+    module subroutine plastic_dislotungsten_results(ph,group)
-      integer,          intent(in) :: instance
+      integer,          intent(in) :: ph
       character(len=*), intent(in) :: group
     end subroutine plastic_dislotungsten_results
 
-    module subroutine plastic_nonlocal_results(instance,group)
+    module subroutine plastic_nonlocal_results(ph,group)
-      integer,          intent(in) :: instance
+      integer,          intent(in) :: ph
       character(len=*), intent(in) :: group
     end subroutine plastic_nonlocal_results
 
@@ -186,7 +177,7 @@ contains
 !> @brief Initialize mechanical field related constitutive models
 !> @details Initialize elasticity, plasticity and stiffness degradation models.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_init(phases)
+module subroutine mechanical_init(phases)
 
   class(tNode), pointer :: &
     phases
@@ -206,7 +197,7 @@ module subroutine mech_init(phases)
     elastic, &
     stiffDegradation
 
-  print'(/,a)', ' <<<+-  phase:mechanics init  -+>>>'
+  print'(/,a)', ' <<<+-  phase:mechanical init  -+>>>'
 
 !-------------------------------------------------------------------------------------------------
 ! initialize elasticity (hooke)                         !ToDO: Maybe move to elastic submodule along with function homogenizedC?
@@ -215,38 +206,38 @@ module subroutine mech_init(phases)
   allocate(phase_NstiffnessDegradations(phases%length),source=0)
   allocate(output_constituent(phases%length))
 
-  allocate(constitutive_mech_Fe(phases%length))
+  allocate(phase_mechanical_Fe(phases%length))
-  allocate(constitutive_mech_Fi(phases%length))
+  allocate(phase_mechanical_Fi(phases%length))
-  allocate(constitutive_mech_Fi0(phases%length))
+  allocate(phase_mechanical_Fi0(phases%length))
-  allocate(constitutive_mech_Fp(phases%length))
+  allocate(phase_mechanical_Fp(phases%length))
-  allocate(constitutive_mech_Fp0(phases%length))
+  allocate(phase_mechanical_Fp0(phases%length))
-  allocate(constitutive_mech_F(phases%length))
+  allocate(phase_mechanical_F(phases%length))
-  allocate(constitutive_mech_F0(phases%length))
+  allocate(phase_mechanical_F0(phases%length))
-  allocate(constitutive_mech_Li(phases%length))
+  allocate(phase_mechanical_Li(phases%length))
-  allocate(constitutive_mech_Li0(phases%length))
+  allocate(phase_mechanical_Li0(phases%length))
-  allocate(constitutive_mech_Lp0(phases%length))
+  allocate(phase_mechanical_Lp0(phases%length))
-  allocate(constitutive_mech_Lp(phases%length))
+  allocate(phase_mechanical_Lp(phases%length))
-  allocate(constitutive_mech_S(phases%length))
+  allocate(phase_mechanical_S(phases%length))
-  allocate(constitutive_mech_P(phases%length))
+  allocate(phase_mechanical_P(phases%length))
-  allocate(constitutive_mech_S0(phases%length))
+  allocate(phase_mechanical_S0(phases%length))
 
   do ph = 1, phases%length
     Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
 
-    allocate(constitutive_mech_Fi(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Fi(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Fe(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Fe(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Fi0(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Fi0(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Fp(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Fp(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Fp0(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Fp0(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Li(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Li(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Li0(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Li0(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Lp0(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Lp0(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_Lp(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_Lp(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_S(ph)%data(3,3,Nconstituents),source=0.0_pReal)
+    allocate(phase_mechanical_S(ph)%data(3,3,Nconstituents),source=0.0_pReal)
-    allocate(constitutive_mech_P(ph)%data(3,3,Nconstituents),source=0.0_pReal)
+    allocate(phase_mechanical_P(ph)%data(3,3,Nconstituents),source=0.0_pReal)
-    allocate(constitutive_mech_S0(ph)%data(3,3,Nconstituents),source=0.0_pReal)
+    allocate(phase_mechanical_S0(ph)%data(3,3,Nconstituents),source=0.0_pReal)
-    allocate(constitutive_mech_F(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_F(ph)%data(3,3,Nconstituents))
-    allocate(constitutive_mech_F0(ph)%data(3,3,Nconstituents))
+    allocate(phase_mechanical_F0(ph)%data(3,3,Nconstituents))
 
     phase   => phases%get(ph)
     mech    => phase%get('mechanics')
@@ -287,17 +278,17 @@ module subroutine mech_init(phases)
       ph = material_phaseAt(co,el)
       me = material_phaseMemberAt(co,ip,el)
 
-      constitutive_mech_Fp0(ph)%data(1:3,1:3,me) = material_orientation0(co,ip,el)%asMatrix()                      ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
+      phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = material_orientation0(co,ip,el)%asMatrix()                      ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
-      constitutive_mech_Fp0(ph)%data(1:3,1:3,me) = constitutive_mech_Fp0(ph)%data(1:3,1:3,me) &
+      phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = phase_mechanical_Fp0(ph)%data(1:3,1:3,me) &
-                                                 / math_det33(constitutive_mech_Fp0(ph)%data(1:3,1:3,me))**(1.0_pReal/3.0_pReal)
+                                                / math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,me))**(1.0_pReal/3.0_pReal)
-      constitutive_mech_Fi0(ph)%data(1:3,1:3,me) = math_I3
+      phase_mechanical_Fi0(ph)%data(1:3,1:3,me) = math_I3
-      constitutive_mech_F0(ph)%data(1:3,1:3,me)  = math_I3
+      phase_mechanical_F0(ph)%data(1:3,1:3,me)  = math_I3
 
-      constitutive_mech_Fe(ph)%data(1:3,1:3,me) = math_inv33(matmul(constitutive_mech_Fi0(ph)%data(1:3,1:3,me), &
+      phase_mechanical_Fe(ph)%data(1:3,1:3,me) = math_inv33(matmul(phase_mechanical_Fi0(ph)%data(1:3,1:3,me), &
-                                                                    constitutive_mech_Fp0(ph)%data(1:3,1:3,me)))           ! assuming that euler angles are given in internal strain free configuration
+                                                                   phase_mechanical_Fp0(ph)%data(1:3,1:3,me)))           ! assuming that euler angles are given in internal strain free configuration
-      constitutive_mech_Fp(ph)%data(1:3,1:3,me) = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
+      phase_mechanical_Fp(ph)%data(1:3,1:3,me) = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
-      constitutive_mech_Fi(ph)%data(1:3,1:3,me) = constitutive_mech_Fi0(ph)%data(1:3,1:3,me)
+      phase_mechanical_Fi(ph)%data(1:3,1:3,me) = phase_mechanical_Fi0(ph)%data(1:3,1:3,me)
-      constitutive_mech_F(ph)%data(1:3,1:3,me)  = constitutive_mech_F0(ph)%data(1:3,1:3,me)
+      phase_mechanical_F(ph)%data(1:3,1:3,me)  = phase_mechanical_F0(ph)%data(1:3,1:3,me)
 
     enddo
   enddo; enddo
@@ -307,14 +298,12 @@ module subroutine mech_init(phases)
 ! initialize plasticity
   allocate(plasticState(phases%length))
   allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
-  allocate(phase_plasticityInstance(phases%length),source = 0)
   allocate(phase_localPlasticity(phases%length),   source=.true.)
 
   call plastic_init()
 
   do ph = 1, phases%length
     phase_elasticityInstance(ph) = count(phase_elasticity(1:ph) == phase_elasticity(ph))
-    phase_plasticityInstance(ph) = count(phase_plasticity(1:ph) == phase_plasticity(ph))
   enddo
 
   num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)
@@ -345,14 +334,14 @@ module subroutine mech_init(phases)
   call eigendeformation_init(phases)
 
 
-end subroutine mech_init
+end subroutine mechanical_init
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
 !> the elastic and intermediate deformation gradients using Hooke's law
 !--------------------------------------------------------------------------------------------------
-subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
+subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
                                               Fe, Fi, co, ip, el)
 
   integer, intent(in) :: &
@@ -376,12 +365,12 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
     i, j, ph, me
 
   ho = material_homogenizationAt(el)
-  C = math_66toSym3333(constitutive_homogenizedC(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))
+  C = math_66toSym3333(phase_homogenizedC(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))
 
   DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(co,el))
     degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(co,el)))
       case (STIFFNESS_DEGRADATION_damage_ID) degradationType
-        C = C * damage(ho)%p(material_homogenizationMemberAt(ip,el))**2
+        C = C * phase_damage_get_phi(co,ip,el)**2
     end select degradationType
   enddo DegradationLoop
 
@@ -393,10 +382,10 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
     dS_dFi(i,j,1:3,1:3) = 2.0_pReal*matmul(matmul(E,Fi),C(i,j,1:3,1:3))                             !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
   enddo; enddo
 
-end subroutine constitutive_hooke_SandItsTangents
+end subroutine phase_hooke_SandItsTangents
 
 
-module subroutine mech_results(group,ph)
+module subroutine mechanical_results(group,ph)
 
   character(len=*), intent(in) :: group
   integer,          intent(in) :: ph
@@ -407,28 +396,28 @@ module subroutine mech_results(group,ph)
   select case(phase_plasticity(ph))
 
     case(PLASTICITY_ISOTROPIC_ID)
-      call plastic_isotropic_results(phase_plasticityInstance(ph),group//'plastic/')
+      call plastic_isotropic_results(ph,group//'plastic/')
 
     case(PLASTICITY_PHENOPOWERLAW_ID)
-      call plastic_phenopowerlaw_results(phase_plasticityInstance(ph),group//'plastic/')
+      call plastic_phenopowerlaw_results(ph,group//'plastic/')
 
     case(PLASTICITY_KINEHARDENING_ID)
-      call plastic_kinehardening_results(phase_plasticityInstance(ph),group//'plastic/')
+      call plastic_kinehardening_results(ph,group//'plastic/')
 
     case(PLASTICITY_DISLOTWIN_ID)
-      call plastic_dislotwin_results(phase_plasticityInstance(ph),group//'plastic/')
+      call plastic_dislotwin_results(ph,group//'plastic/')
 
     case(PLASTICITY_DISLOTUNGSTEN_ID)
-      call plastic_dislotungsten_results(phase_plasticityInstance(ph),group//'plastic/')
+      call plastic_dislotungsten_results(ph,group//'plastic/')
 
     case(PLASTICITY_NONLOCAL_ID)
-      call plastic_nonlocal_results(phase_plasticityInstance(ph),group//'plastic/')
+      call plastic_nonlocal_results(ph,group//'plastic/')
 
   end select
 
   call crystallite_results(group,ph)
 
-end subroutine mech_results
+end subroutine mechanical_results
 
 
 !--------------------------------------------------------------------------------------------------
@@ -503,8 +492,8 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
 
   call plastic_dependentState(co,ip,el)
 
-  Lpguess = constitutive_mech_Lp(ph)%data(1:3,1:3,me)                                              ! take as first guess
+  Lpguess = phase_mechanical_Lp(ph)%data(1:3,1:3,me)                                              ! take as first guess
-  Liguess = constitutive_mech_Li(ph)%data(1:3,1:3,me)                                              ! take as first guess
+  Liguess = phase_mechanical_Li(ph)%data(1:3,1:3,me)                                              ! take as first guess
 
   call math_invert33(invFp_current,devNull,error,subFp0)
   if (error) return ! error
@@ -538,11 +527,11 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
 
       B  = math_I3 - Delta_t*Lpguess
       Fe = matmul(matmul(A,B), invFi_new)
-      call constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
+      call phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
                                         Fe, Fi_new, co, ip, el)
 
       call plastic_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
-                                         S, Fi_new, co, ip, el)
+                                         S, Fi_new, ph,me)
 
       !* update current residuum and check for convergence of loop
       atol_Lp = max(num%rtol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), &      ! absolute tolerance from largest acceptable relative error
@@ -582,8 +571,8 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
               + deltaLp * steplengthLp
     enddo LpLoop
 
-    call constitutive_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
+    call phase_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
-                                       S, Fi_new, co, ip, el)
+                                       S, Fi_new, ph,me)
 
     !* update current residuum and check for convergence of loop
     atol_Li = max(num%rtol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), &        ! absolute tolerance from largest acceptable relative error
@@ -633,13 +622,13 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
   call math_invert33(Fp_new,devNull,error,invFp_new)
   if (error) return ! error
 
-  constitutive_mech_P(ph)%data(1:3,1:3,me)  = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
+  phase_mechanical_P(ph)%data(1:3,1:3,me)  = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
-  constitutive_mech_S(ph)%data(1:3,1:3,me)  = S
+  phase_mechanical_S(ph)%data(1:3,1:3,me)  = S
-  constitutive_mech_Lp(ph)%data(1:3,1:3,me) = Lpguess
+  phase_mechanical_Lp(ph)%data(1:3,1:3,me) = Lpguess
-  constitutive_mech_Li(ph)%data(1:3,1:3,me) = Liguess
+  phase_mechanical_Li(ph)%data(1:3,1:3,me) = Liguess
-  constitutive_mech_Fp(ph)%data(1:3,1:3,me) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal)    ! regularize
+  phase_mechanical_Fp(ph)%data(1:3,1:3,me) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal)    ! regularize
-  constitutive_mech_Fi(ph)%data(1:3,1:3,me) = Fi_new
+  phase_mechanical_Fi(ph)%data(1:3,1:3,me) = Fi_new
-  constitutive_mech_Fe(ph)%data(1:3,1:3,me) = matmul(matmul(F,invFp_new),invFi_new)
+  phase_mechanical_Fe(ph)%data(1:3,1:3,me) = matmul(matmul(F,invFp_new),invFi_new)
   broken = .false.
 
 end function integrateStress
@@ -668,9 +657,9 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
     sizeDotState
   real(pReal) :: &
     zeta
-  real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
+  real(pReal), dimension(phase_plasticity_maxSizeDotState) :: &
     r                                                                                               ! state residuum
-  real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: &
+  real(pReal), dimension(phase_plasticity_maxSizeDotState,2) :: &
     dotState
 
 
@@ -706,7 +695,7 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
     plasticState(ph)%state(1:sizeDotState,me) = plasticState(ph)%state(1:sizeDotState,me) &
                                               - r(1:sizeDotState)
     if (converged(r(1:sizeDotState),plasticState(ph)%state(1:sizeDotState,me),plasticState(ph)%atol(1:sizeDotState))) then
-      broken = plastic_deltaState(co,ip,el,ph,me)
+      broken = plastic_deltaState(ph,me)
       exit iteration
     endif
 
@@ -769,7 +758,7 @@ function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) res
   plasticState(ph)%state(1:sizeDotState,me) = subState0 &
                                             + plasticState(ph)%dotState(1:sizeDotState,me) * Delta_t
 
-  broken = plastic_deltaState(co,ip,el,ph,me)
+  broken = plastic_deltaState(ph,me)
   if(broken) return
 
   broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
@@ -796,7 +785,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip
     ph, &
     me, &
     sizeDotState
-  real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: residuum_plastic
+  real(pReal), dimension(phase_plasticity_maxSizeDotState) :: residuum_plastic
 
 
   ph = material_phaseAt(co,el)
@@ -811,7 +800,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip
   plasticState(ph)%state(1:sizeDotState,me) = subState0 &
                                             + plasticState(ph)%dotstate(1:sizeDotState,me) * Delta_t
 
-  broken = plastic_deltaState(co,ip,el,ph,me)
+  broken = plastic_deltaState(ph,me)
   if(broken) return
 
   broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
@@ -914,7 +903,7 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
     ph, &
     me, &
     sizeDotState
-  real(pReal), dimension(constitutive_plasticity_maxSizeDotState,size(B)) :: plastic_RKdotState
+  real(pReal), dimension(phase_plasticity_maxSizeDotState,size(B)) :: plastic_RKdotState
 
 
   ph = material_phaseAt(co,el)
@@ -960,7 +949,7 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
 
   if(broken) return
 
-  broken = plastic_deltaState(co,ip,el,ph,me)
+  broken = plastic_deltaState(ph,me)
   if(broken) return
 
   broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
@@ -987,28 +976,28 @@ subroutine crystallite_results(group,ph)
 
       select case (output_constituent(ph)%label(ou))
         case('F')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_F(ph)%data,'F',&
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_F(ph)%data,'F',&
                                    'deformation gradient','1')
         case('F_e')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_Fe(ph)%data,'F_e',&
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_Fe(ph)%data,'F_e',&
                                    'elastic deformation gradient','1')
         case('F_p')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_Fp(ph)%data,'F_p', &
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_Fp(ph)%data,'F_p', &
                                    'plastic deformation gradient','1')
         case('F_i')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_Fi(ph)%data,'F_i', &
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_Fi(ph)%data,'F_i', &
                                    'inelastic deformation gradient','1')
         case('L_p')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_Lp(ph)%data,'L_p', &
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_Lp(ph)%data,'L_p', &
                                    'plastic velocity gradient','1/s')
         case('L_i')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_Li(ph)%data,'L_i', &
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_Li(ph)%data,'L_i', &
                                    'inelastic velocity gradient','1/s')
         case('P')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_P(ph)%data,'P', &
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_P(ph)%data,'P', &
                                    'First Piola-Kirchhoff stress','Pa')
         case('S')
-          call results_writeDataset(group//'/mechanics/',constitutive_mech_S(ph)%data,'S', &
+          call results_writeDataset(group//'/mechanics/',phase_mechanical_S(ph)%data,'S', &
                                    'Second Piola-Kirchhoff stress','Pa')
         case('O')
           select case(lattice_structure(ph))
@@ -1067,43 +1056,43 @@ end subroutine crystallite_results
 !--------------------------------------------------------------------------------------------------
 !> @brief Wind homog inc forward.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_windForward(ph,me)
+module subroutine mechanical_windForward(ph,me)
 
   integer, intent(in) :: ph, me
 
 
-  constitutive_mech_Fp0(ph)%data(1:3,1:3,me) = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
+  phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = phase_mechanical_Fp(ph)%data(1:3,1:3,me)
-  constitutive_mech_Fi0(ph)%data(1:3,1:3,me) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
+  phase_mechanical_Fi0(ph)%data(1:3,1:3,me) = phase_mechanical_Fi(ph)%data(1:3,1:3,me)
-  constitutive_mech_F0(ph)%data(1:3,1:3,me)  = constitutive_mech_F(ph)%data(1:3,1:3,me)
+  phase_mechanical_F0(ph)%data(1:3,1:3,me)  = phase_mechanical_F(ph)%data(1:3,1:3,me)
-  constitutive_mech_Li0(ph)%data(1:3,1:3,me) = constitutive_mech_Li(ph)%data(1:3,1:3,me)
+  phase_mechanical_Li0(ph)%data(1:3,1:3,me) = phase_mechanical_Li(ph)%data(1:3,1:3,me)
-  constitutive_mech_Lp0(ph)%data(1:3,1:3,me) = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
+  phase_mechanical_Lp0(ph)%data(1:3,1:3,me) = phase_mechanical_Lp(ph)%data(1:3,1:3,me)
-  constitutive_mech_S0(ph)%data(1:3,1:3,me)  = constitutive_mech_S(ph)%data(1:3,1:3,me)
+  phase_mechanical_S0(ph)%data(1:3,1:3,me)  = phase_mechanical_S(ph)%data(1:3,1:3,me)
 
   plasticState(ph)%State0(:,me) = plasticState(ph)%state(:,me)
 
-end subroutine mech_windForward
+end subroutine mechanical_windForward
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Forward data after successful increment.
 ! ToDo: Any guessing for the current states possible?
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_forward()
+module subroutine mechanical_forward()
 
   integer :: ph
 
 
   do ph = 1, size(plasticState)
-    constitutive_mech_Fi0(ph) = constitutive_mech_Fi(ph)
+    phase_mechanical_Fi0(ph) = phase_mechanical_Fi(ph)
-    constitutive_mech_Fp0(ph) = constitutive_mech_Fp(ph)
+    phase_mechanical_Fp0(ph) = phase_mechanical_Fp(ph)
-    constitutive_mech_F0(ph)  = constitutive_mech_F(ph)
+    phase_mechanical_F0(ph)  = phase_mechanical_F(ph)
-    constitutive_mech_Li0(ph) = constitutive_mech_Li(ph)
+    phase_mechanical_Li0(ph) = phase_mechanical_Li(ph)
-    constitutive_mech_Lp0(ph) = constitutive_mech_Lp(ph)
+    phase_mechanical_Lp0(ph) = phase_mechanical_Lp(ph)
-    constitutive_mech_S0(ph)  = constitutive_mech_S(ph)
+    phase_mechanical_S0(ph)  = phase_mechanical_S(ph)
     plasticState(ph)%state0 = plasticState(ph)%state
   enddo
 
-end subroutine mech_forward
+end subroutine mechanical_forward
 
 
 
@@ -1111,19 +1100,19 @@ end subroutine mech_forward
 !> @brief returns the homogenize elasticity matrix
 !> ToDo: homogenizedC66 would be more consistent
 !--------------------------------------------------------------------------------------------------
-module function constitutive_homogenizedC(ph,me) result(C)
+module function phase_homogenizedC(ph,me) result(C)
 
   real(pReal), dimension(6,6) :: C
   integer,      intent(in)    :: ph, me
 
-  plasticityType: select case (phase_plasticity(ph))
+  plasticType: select case (phase_plasticity(ph))
-    case (PLASTICITY_DISLOTWIN_ID) plasticityType
+    case (PLASTICITY_DISLOTWIN_ID) plasticType
      C = plastic_dislotwin_homogenizedC(ph,me)
-    case default plasticityType
+    case default plasticType
      C = lattice_C66(1:6,1:6,ph)
-  end select plasticityType
+  end select plasticType
 
-end function constitutive_homogenizedC
+end function phase_homogenizedC
 
 
 !--------------------------------------------------------------------------------------------------
@@ -1141,7 +1130,7 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
   real(pReal) :: &
     formerSubStep
   integer :: &
-    so, ph, me, sizeDotState
+    ph, me, sizeDotState
   logical :: todo
   real(pReal) :: subFrac,subStep
   real(pReal), dimension(3,3) :: &
@@ -1158,17 +1147,16 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
   me = material_phaseMemberAt(co,ip,el)
   sizeDotState = plasticState(ph)%sizeDotState
 
-  subLi0 = constitutive_mech_Li0(ph)%data(1:3,1:3,me)
+  subLi0 = phase_mechanical_Li0(ph)%data(1:3,1:3,me)
-  subLp0 = constitutive_mech_Lp0(ph)%data(1:3,1:3,me)
+  subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,me)
   subState0 = plasticState(ph)%State0(:,me)
 
+  if (damageState(ph)%sizeState > 0) &
+    damageState(ph)%subState0(:,me) = damageState(ph)%state0(:,me)
 
-  do so = 1, phase_Nsources(ph)
+  subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
-    damageState(ph)%p(so)%subState0(:,me) = damageState(ph)%p(so)%state0(:,me)
+  subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,me)
-  enddo
+  subF0  = phase_mechanical_F0(ph)%data(1:3,1:3,me)
-  subFp0 = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
-  subFi0 = constitutive_mech_Fi0(ph)%data(1:3,1:3,me)
-  subF0  = constitutive_mech_F0(ph)%data(1:3,1:3,me)
   subFrac = 0.0_pReal
   subStep = 1.0_pReal/num%subStepSizeCryst
   todo = .true.
@@ -1186,30 +1174,29 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
 
       if (todo) then
         subF0  = subF
-        subLp0 = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
+        subLp0 = phase_mechanical_Lp(ph)%data(1:3,1:3,me)
-        subLi0 = constitutive_mech_Li(ph)%data(1:3,1:3,me)
+        subLi0 = phase_mechanical_Li(ph)%data(1:3,1:3,me)
-        subFp0 = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
+        subFp0 = phase_mechanical_Fp(ph)%data(1:3,1:3,me)
-        subFi0 = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
+        subFi0 = phase_mechanical_Fi(ph)%data(1:3,1:3,me)
         subState0 = plasticState(ph)%state(:,me)
-        do so = 1, phase_Nsources(ph)
+        if (damageState(ph)%sizeState > 0) &
-          damageState(ph)%p(so)%subState0(:,me) = damageState(ph)%p(so)%state(:,me)
+          damageState(ph)%subState0(:,me) = damageState(ph)%state(:,me)
-        enddo
+
       endif
 !--------------------------------------------------------------------------------------------------
 !  cut back (reduced time and restore)
     else
       subStep       = num%subStepSizeCryst * subStep
-      constitutive_mech_Fp(ph)%data(1:3,1:3,me) = subFp0
+      phase_mechanical_Fp(ph)%data(1:3,1:3,me) = subFp0
-      constitutive_mech_Fi(ph)%data(1:3,1:3,me) = subFi0
+      phase_mechanical_Fi(ph)%data(1:3,1:3,me) = subFi0
-      constitutive_mech_S(ph)%data(1:3,1:3,me) = constitutive_mech_S0(ph)%data(1:3,1:3,me)          ! why no subS0 ? is S0 of any use?
+      phase_mechanical_S(ph)%data(1:3,1:3,me) = phase_mechanical_S0(ph)%data(1:3,1:3,me)          ! why no subS0 ? is S0 of any use?
       if (subStep < 1.0_pReal) then                                                                 ! actual (not initial) cutback
-        constitutive_mech_Lp(ph)%data(1:3,1:3,me) = subLp0
+        phase_mechanical_Lp(ph)%data(1:3,1:3,me) = subLp0
-        constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0
+        phase_mechanical_Li(ph)%data(1:3,1:3,me) = subLi0
       endif
       plasticState(ph)%state(:,me) = subState0
-      do so = 1, phase_Nsources(ph)
+      if (damageState(ph)%sizeState > 0) &
-        damageState(ph)%p(so)%state(:,me) = damageState(ph)%p(so)%subState0(:,me)
+        damageState(ph)%state(:,me) = damageState(ph)%subState0(:,me)
-      enddo
 
       todo = subStep > num%subStepMinCryst                          ! still on track or already done (beyond repair)
     endif
@@ -1218,9 +1205,9 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
 !  prepare for integration
     if (todo) then
       subF = subF0 &
-           + subStep * (constitutive_mech_F(ph)%data(1:3,1:3,me) - constitutive_mech_F0(ph)%data(1:3,1:3,me))
+           + subStep * (phase_mechanical_F(ph)%data(1:3,1:3,me) - phase_mechanical_F0(ph)%data(1:3,1:3,me))
-      constitutive_mech_Fe(ph)%data(1:3,1:3,me) = matmul(subF,math_inv33(matmul(constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
+      phase_mechanical_Fe(ph)%data(1:3,1:3,me) = matmul(subF,math_inv33(matmul(phase_mechanical_Fi(ph)%data(1:3,1:3,me), &
-                                                                                constitutive_mech_Fp(ph)%data(1:3,1:3,me))))
+                                                                               phase_mechanical_Fp(ph)%data(1:3,1:3,me))))
       converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * dt,co,ip,el)
       converged_ = converged_ .and. .not. integrateDamageState(subStep * dt,co,ip,el)
     endif
@@ -1233,7 +1220,7 @@ end function crystallite_stress
 !--------------------------------------------------------------------------------------------------
 !> @brief Restore data after homog cutback.
 !--------------------------------------------------------------------------------------------------
-module subroutine mech_restore(ce,includeL)
+module subroutine mechanical_restore(ce,includeL)
 
   integer, intent(in) :: ce
   logical, intent(in) :: &
@@ -1247,23 +1234,23 @@ module subroutine mech_restore(ce,includeL)
     ph = material_phaseAt2(co,ce)
     me = material_phaseMemberAt2(co,ce)
     if (includeL) then
-      constitutive_mech_Lp(ph)%data(1:3,1:3,me) = constitutive_mech_Lp0(ph)%data(1:3,1:3,me)
+      phase_mechanical_Lp(ph)%data(1:3,1:3,me) = phase_mechanical_Lp0(ph)%data(1:3,1:3,me)
-      constitutive_mech_Li(ph)%data(1:3,1:3,me) = constitutive_mech_Li0(ph)%data(1:3,1:3,me)
+      phase_mechanical_Li(ph)%data(1:3,1:3,me) = phase_mechanical_Li0(ph)%data(1:3,1:3,me)
     endif                                                                                           ! maybe protecting everything from overwriting makes more sense
 
-    constitutive_mech_Fp(ph)%data(1:3,1:3,me)   = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
+    phase_mechanical_Fp(ph)%data(1:3,1:3,me)   = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
-    constitutive_mech_Fi(ph)%data(1:3,1:3,me)   = constitutive_mech_Fi0(ph)%data(1:3,1:3,me)
+    phase_mechanical_Fi(ph)%data(1:3,1:3,me)   = phase_mechanical_Fi0(ph)%data(1:3,1:3,me)
-    constitutive_mech_S(ph)%data(1:3,1:3,me)    = constitutive_mech_S0(ph)%data(1:3,1:3,me)
+    phase_mechanical_S(ph)%data(1:3,1:3,me)    = phase_mechanical_S0(ph)%data(1:3,1:3,me)
 
     plasticState(ph)%state(:,me) = plasticState(ph)%State0(:,me)
   enddo
 
-end subroutine mech_restore
+end subroutine mechanical_restore
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Calculate tangent (dPdF).
 !--------------------------------------------------------------------------------------------------
-module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
+module function phase_mechanical_dPdF(dt,co,ip,el) result(dPdF)
 
   real(pReal), intent(in) :: dt
   integer, intent(in) :: &
@@ -1297,18 +1284,18 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
   ph = material_phaseAt(co,el)
   me = material_phaseMemberAt(co,ip,el)
 
-  call constitutive_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
+  call phase_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
-                                          constitutive_mech_Fe(ph)%data(1:3,1:3,me), &
+                                          phase_mechanical_Fe(ph)%data(1:3,1:3,me), &
-                                          constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
+                                          phase_mechanical_Fi(ph)%data(1:3,1:3,me),co,ip,el)
-  call constitutive_LiAndItsTangents(devNull,dLidS,dLidFi, &
+  call phase_LiAndItsTangents(devNull,dLidS,dLidFi, &
-                                     constitutive_mech_S(ph)%data(1:3,1:3,me), &
+                                     phase_mechanical_S(ph)%data(1:3,1:3,me), &
-                                     constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
+                                     phase_mechanical_Fi(ph)%data(1:3,1:3,me), &
-                                     co,ip,el)
+                                     ph,me)
 
-  invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
+  invFp = math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,me))
-  invFi = math_inv33(constitutive_mech_Fi(ph)%data(1:3,1:3,me))
+  invFi = math_inv33(phase_mechanical_Fi(ph)%data(1:3,1:3,me))
-  invSubFp0 = math_inv33(constitutive_mech_Fp0(ph)%data(1:3,1:3,me))
+  invSubFp0 = math_inv33(phase_mechanical_Fp0(ph)%data(1:3,1:3,me))
-  invSubFi0 = math_inv33(constitutive_mech_Fi0(ph)%data(1:3,1:3,me))
+  invSubFi0 = math_inv33(phase_mechanical_Fi0(ph)%data(1:3,1:3,me))
 
   if (sum(abs(dLidS)) < tol_math_check) then
     dFidS = 0.0_pReal
@@ -1334,15 +1321,15 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
   endif
 
   call plastic_LpAndItsTangents(devNull,dLpdS,dLpdFi, &
-                                             constitutive_mech_S(ph)%data(1:3,1:3,me), &
+                                             phase_mechanical_S(ph)%data(1:3,1:3,me), &
-                                             constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
+                                             phase_mechanical_Fi(ph)%data(1:3,1:3,me),ph,me)
   dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
 
 !--------------------------------------------------------------------------------------------------
 ! calculate dSdF
   temp_33_1 = transpose(matmul(invFp,invFi))
-  temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invSubFp0)
+  temp_33_2 = matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),invSubFp0)
-  temp_33_3 = matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp), invSubFi0)
+  temp_33_3 = matmul(matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),invFp), invSubFi0)
 
   do o=1,3; do p=1,3
     rhs_3333(p,o,1:3,1:3)  = matmul(dSdFe(p,o,1:3,1:3),temp_33_1)
@@ -1370,9 +1357,9 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
 
 !--------------------------------------------------------------------------------------------------
 ! assemble dPdF
-  temp_33_1 = matmul(constitutive_mech_S(ph)%data(1:3,1:3,me),transpose(invFp))
+  temp_33_1 = matmul(phase_mechanical_S(ph)%data(1:3,1:3,me),transpose(invFp))
-  temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp)
+  temp_33_2 = matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),invFp)
-  temp_33_3 = matmul(temp_33_2,constitutive_mech_S(ph)%data(1:3,1:3,me))
+  temp_33_3 = matmul(temp_33_2,phase_mechanical_S(ph)%data(1:3,1:3,me))
 
   dPdF = 0.0_pReal
   do p=1,3
@@ -1380,129 +1367,129 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
   enddo
   do o=1,3; do p=1,3
     dPdF(1:3,1:3,p,o) = dPdF(1:3,1:3,p,o) &
-                      + matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
+                      + matmul(matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
                       + matmul(matmul(temp_33_2,dSdF(1:3,1:3,p,o)),transpose(invFp)) &
                       + matmul(temp_33_3,transpose(dFpinvdF(1:3,1:3,p,o)))
   enddo; enddo
 
-end function constitutive_mech_dPdF
+end function phase_mechanical_dPdF
 
 
-module subroutine mech_restartWrite(groupHandle,ph)
+module subroutine mechanical_restartWrite(groupHandle,ph)
 
   integer(HID_T), intent(in) :: groupHandle
   integer, intent(in) :: ph
 
 
   call HDF5_write(groupHandle,plasticState(ph)%state,'omega')
-  call HDF5_write(groupHandle,constitutive_mech_Fi(ph)%data,'F_i')
+  call HDF5_write(groupHandle,phase_mechanical_Fi(ph)%data,'F_i')
-  call HDF5_write(groupHandle,constitutive_mech_Li(ph)%data,'L_i')
+  call HDF5_write(groupHandle,phase_mechanical_Li(ph)%data,'L_i')
-  call HDF5_write(groupHandle,constitutive_mech_Lp(ph)%data,'L_p')
+  call HDF5_write(groupHandle,phase_mechanical_Lp(ph)%data,'L_p')
-  call HDF5_write(groupHandle,constitutive_mech_Fp(ph)%data,'F_p')
+  call HDF5_write(groupHandle,phase_mechanical_Fp(ph)%data,'F_p')
-  call HDF5_write(groupHandle,constitutive_mech_S(ph)%data,'S')
+  call HDF5_write(groupHandle,phase_mechanical_S(ph)%data,'S')
-  call HDF5_write(groupHandle,constitutive_mech_F(ph)%data,'F')
+  call HDF5_write(groupHandle,phase_mechanical_F(ph)%data,'F')
 
-end subroutine mech_restartWrite
+end subroutine mechanical_restartWrite
 
 
-module subroutine mech_restartRead(groupHandle,ph)
+module subroutine mechanical_restartRead(groupHandle,ph)
 
   integer(HID_T), intent(in) :: groupHandle
   integer, intent(in) :: ph
 
 
   call HDF5_read(groupHandle,plasticState(ph)%state0,'omega')
-  call HDF5_read(groupHandle,constitutive_mech_Fi0(ph)%data,'F_i')
+  call HDF5_read(groupHandle,phase_mechanical_Fi0(ph)%data,'F_i')
-  call HDF5_read(groupHandle,constitutive_mech_Li0(ph)%data,'L_i')
+  call HDF5_read(groupHandle,phase_mechanical_Li0(ph)%data,'L_i')
-  call HDF5_read(groupHandle,constitutive_mech_Lp0(ph)%data,'L_p')
+  call HDF5_read(groupHandle,phase_mechanical_Lp0(ph)%data,'L_p')
-  call HDF5_read(groupHandle,constitutive_mech_Fp0(ph)%data,'F_p')
+  call HDF5_read(groupHandle,phase_mechanical_Fp0(ph)%data,'F_p')
-  call HDF5_read(groupHandle,constitutive_mech_S0(ph)%data,'S')
+  call HDF5_read(groupHandle,phase_mechanical_S0(ph)%data,'S')
-  call HDF5_read(groupHandle,constitutive_mech_F0(ph)%data,'F')
+  call HDF5_read(groupHandle,phase_mechanical_F0(ph)%data,'F')
 
-end subroutine mech_restartRead
+end subroutine mechanical_restartRead
 
 
 !----------------------------------------------------------------------------------------------
 !< @brief Get first Piola-Kichhoff stress (for use by non-mech physics)
 !----------------------------------------------------------------------------------------------
-module function mech_S(ph,me) result(S)
+module function mechanical_S(ph,me) result(S)
 
   integer, intent(in) :: ph,me
   real(pReal), dimension(3,3) :: S
 
 
-  S = constitutive_mech_S(ph)%data(1:3,1:3,me)
+  S = phase_mechanical_S(ph)%data(1:3,1:3,me)
 
-end function mech_S
+end function mechanical_S
 
 
 !----------------------------------------------------------------------------------------------
 !< @brief Get plastic velocity gradient (for use by non-mech physics)
 !----------------------------------------------------------------------------------------------
-module function mech_L_p(ph,me) result(L_p)
+module function mechanical_L_p(ph,me) result(L_p)
 
   integer, intent(in) :: ph,me
   real(pReal), dimension(3,3) :: L_p
 
 
-  L_p = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
+  L_p = phase_mechanical_Lp(ph)%data(1:3,1:3,me)
 
-end function mech_L_p
+end function mechanical_L_p
 
 
 !----------------------------------------------------------------------------------------------
 !< @brief Get deformation gradient (for use by homogenization)
 !----------------------------------------------------------------------------------------------
-module function constitutive_mech_getF(co,ip,el) result(F)
+module function phase_mechanical_getF(co,ip,el) result(F)
 
   integer, intent(in) :: co, ip, el
   real(pReal), dimension(3,3) :: F
 
 
-  F = constitutive_mech_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
+  F = phase_mechanical_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
 
-end function constitutive_mech_getF
+end function phase_mechanical_getF
 
 
 !----------------------------------------------------------------------------------------------
 !< @brief Get elastic deformation gradient (for use by non-mech physics)
 !----------------------------------------------------------------------------------------------
-module function mech_F_e(ph,me) result(F_e)
+module function mechanical_F_e(ph,me) result(F_e)
 
   integer, intent(in) :: ph,me
   real(pReal), dimension(3,3) :: F_e
 
 
-  F_e = constitutive_mech_Fe(ph)%data(1:3,1:3,me)
+  F_e = phase_mechanical_Fe(ph)%data(1:3,1:3,me)
 
-end function mech_F_e
+end function mechanical_F_e
 
 
 
 !----------------------------------------------------------------------------------------------
 !< @brief Get second Piola-Kichhoff stress (for use by homogenization)
 !----------------------------------------------------------------------------------------------
-module function constitutive_mech_getP(co,ip,el) result(P)
+module function phase_mechanical_getP(co,ip,el) result(P)
 
   integer, intent(in) :: co, ip, el
   real(pReal), dimension(3,3) :: P
 
 
-  P = constitutive_mech_P(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
+  P = phase_mechanical_P(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
 
-end function constitutive_mech_getP
+end function phase_mechanical_getP
 
 
 ! setter for homogenization
-module subroutine constitutive_mech_setF(F,co,ip,el)
+module subroutine phase_mechanical_setF(F,co,ip,el)
 
   real(pReal), dimension(3,3), intent(in) :: F
   integer, intent(in) :: co, ip, el
 
 
-  constitutive_mech_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el)) = F
+  phase_mechanical_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el)) = F
 
-end subroutine constitutive_mech_setF
+end subroutine phase_mechanical_setF
 
 
-end submodule mechanics
+end submodule mechanical

src/phase_mechanical_eigen.f90

@@ -0,0 +1,228 @@
+submodule(phase:mechanical) eigen
+
+  integer, dimension(:), allocatable :: &
+    Nmodels
+
+  integer(kind(KINEMATICS_UNDEFINED_ID)),  dimension(:,:), allocatable :: &
+    model
+  integer(kind(KINEMATICS_UNDEFINED_ID)),  dimension(:), allocatable :: &
+    model_damage
+
+  interface
+    module function kinematics_cleavage_opening_init() result(myKinematics)
+      logical, dimension(:), allocatable :: myKinematics
+    end function kinematics_cleavage_opening_init
+
+    module function kinematics_slipplane_opening_init() result(myKinematics)
+      logical, dimension(:), allocatable :: myKinematics
+    end function kinematics_slipplane_opening_init
+
+    module function thermalexpansion_init(kinematics_length) result(myKinematics)
+      integer, intent(in) :: kinematics_length
+      logical, dimension(:,:), allocatable :: myKinematics
+    end function thermalexpansion_init
+
+    module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
+      integer, intent(in) :: ph, me
+      real(pReal),   intent(out), dimension(3,3) :: &
+        Li                                                                                          !< thermal velocity gradient
+      real(pReal),   intent(out), dimension(3,3,3,3) :: &
+        dLi_dTstar                                                                                  !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
+    end subroutine thermalexpansion_LiAndItsTangent
+
+  end interface
+
+
+contains
+
+
+module subroutine eigendeformation_init(phases)
+
+  class(tNode), pointer :: &
+    phases
+
+  integer :: &
+    ph
+  class(tNode), pointer :: &
+    phase, &
+    kinematics, &
+    damage, &
+    mechanics
+
+  print'(/,a)', ' <<<+-  phase:mechanical:eigen init  -+>>>'
+
+!--------------------------------------------------------------------------------------------------
+! explicit eigen mechanisms
+  allocate(Nmodels(phases%length),source = 0)
+
+  do ph = 1,phases%length
+    phase => phases%get(ph)
+    mechanics => phase%get('mechanics')
+    kinematics => mechanics%get('eigen',defaultVal=emptyList)
+    Nmodels(ph) = kinematics%length
+  enddo
+
+  allocate(model(maxval(Nmodels),phases%length), source = KINEMATICS_undefined_ID)
+
+  if(maxval(Nmodels) /= 0) then
+    where(thermalexpansion_init(maxval(Nmodels))) model = KINEMATICS_thermal_expansion_ID
+  endif
+
+  allocate(model_damage(phases%length),  source = KINEMATICS_UNDEFINED_ID)
+
+  where(kinematics_cleavage_opening_init())  model_damage = KINEMATICS_cleavage_opening_ID
+  where(kinematics_slipplane_opening_init()) model_damage = KINEMATICS_slipplane_opening_ID
+
+
+end subroutine eigendeformation_init
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief checks if a kinematic mechanism is active or not
+!--------------------------------------------------------------------------------------------------
+function kinematics_active(kinematics_label,kinematics_length)  result(active_kinematics)
+
+  character(len=*), intent(in)         :: kinematics_label                                          !< name of kinematic mechanism
+  integer,          intent(in)         :: kinematics_length                                         !< max. number of kinematics in system
+  logical, dimension(:,:), allocatable :: active_kinematics
+
+  class(tNode), pointer :: &
+    phases, &
+    phase, &
+    kinematics, &
+    kinematics_type, &
+    mechanics
+  integer :: p,k
+
+  phases => config_material%get('phase')
+  allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
+  do p = 1, phases%length
+    phase => phases%get(p)
+    mechanics => phase%get('mechanics')
+    kinematics => mechanics%get('eigen',defaultVal=emptyList)
+    do k = 1, kinematics%length
+      kinematics_type => kinematics%get(k)
+      active_kinematics(k,p) = kinematics_type%get_asString('type') == kinematics_label
+    enddo
+  enddo
+
+
+end function kinematics_active
+
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief checks if a kinematic mechanism is active or not
+!--------------------------------------------------------------------------------------------------
+function kinematics_active2(kinematics_label)  result(active_kinematics)
+
+  character(len=*), intent(in)       :: kinematics_label                                            !< name of kinematic mechanism
+  logical, dimension(:), allocatable :: active_kinematics
+
+  class(tNode), pointer :: &
+    phases, &
+    phase, &
+    kinematics, &
+    kinematics_type
+  integer :: p
+
+  phases => config_material%get('phase')
+  allocate(active_kinematics(phases%length), source = .false. )
+  do p = 1, phases%length
+    phase => phases%get(p)
+    kinematics => phase%get('damage',defaultVal=emptyList)
+    if(kinematics%length < 1) return
+    kinematics_type => kinematics%get(1)
+    if (.not. kinematics_type%contains('type')) continue
+    active_kinematics(p) = kinematics_type%get_asString('type',defaultVal='n/a') == kinematics_label
+  enddo
+
+
+end function kinematics_active2
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief  contains the constitutive equation for calculating the velocity gradient
+! ToDo: MD: S is Mi?
+!--------------------------------------------------------------------------------------------------
+module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
+                                         S, Fi, ph,me)
+
+  integer, intent(in) :: &
+    ph,me
+  real(pReal),   intent(in),  dimension(3,3) :: &
+    S                                                                                               !< 2nd Piola-Kirchhoff stress
+  real(pReal),   intent(in),  dimension(3,3) :: &
+    Fi                                                                                              !< intermediate deformation gradient
+  real(pReal),   intent(out), dimension(3,3) :: &
+    Li                                                                                              !< intermediate velocity gradient
+  real(pReal),   intent(out), dimension(3,3,3,3) :: &
+    dLi_dS, &                                                                                       !< derivative of Li with respect to S
+    dLi_dFi
+
+  real(pReal), dimension(3,3) :: &
+    my_Li, &                                                                                        !< intermediate velocity gradient
+    FiInv, &
+    temp_33
+  real(pReal), dimension(3,3,3,3) :: &
+    my_dLi_dS
+  real(pReal) :: &
+    detFi
+  integer :: &
+    k, i, j
+  logical :: active
+
+  active = .false.
+  Li = 0.0_pReal
+  dLi_dS  = 0.0_pReal
+  dLi_dFi = 0.0_pReal
+
+
+  plasticType: select case (phase_plasticity(ph))
+    case (PLASTICITY_isotropic_ID) plasticType
+      call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,ph,me)
+      Li = Li + my_Li
+      dLi_dS = dLi_dS + my_dLi_dS
+      active = .true.
+  end select plasticType
+
+  KinematicsLoop: do k = 1, Nmodels(ph)
+    kinematicsType: select case (model(k,ph))
+      case (KINEMATICS_thermal_expansion_ID) kinematicsType
+        call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
+        Li = Li + my_Li
+        dLi_dS = dLi_dS + my_dLi_dS
+        active = .true.
+    end select kinematicsType
+  enddo KinematicsLoop
+
+  select case (model_damage(ph))
+    case (KINEMATICS_cleavage_opening_ID)
+      call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
+      Li = Li + my_Li
+      dLi_dS = dLi_dS + my_dLi_dS
+      active = .true.
+    case (KINEMATICS_slipplane_opening_ID)
+      call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
+      Li = Li + my_Li
+      dLi_dS = dLi_dS + my_dLi_dS
+      active = .true.
+  end select
+
+  if(.not. active) return
+
+  FiInv = math_inv33(Fi)
+  detFi = math_det33(Fi)
+  Li = matmul(matmul(Fi,Li),FiInv)*detFi                                                            !< push forward to intermediate configuration
+  temp_33 = matmul(FiInv,Li)
+
+  do i = 1,3; do j = 1,3
+    dLi_dS(1:3,1:3,i,j)  = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
+    dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
+    dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
+  enddo; enddo
+
+end subroutine phase_LiAndItsTangents
+
+
+end submodule eigen

src/phase_mechanical_eigen_cleavageopening.f90

@@ -0,0 +1,32 @@
+!--------------------------------------------------------------------------------------------------
+!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
+!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
+!> @brief material subroutine incorporating kinematics resulting from opening of cleavage planes
+!> @details to be done
+!--------------------------------------------------------------------------------------------------
+submodule(phase:eigen) cleavageopening
+
+contains
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief module initialization
+!> @details reads in material parameters, allocates arrays, and does sanity checks
+!--------------------------------------------------------------------------------------------------
+module function kinematics_cleavage_opening_init() result(myKinematics)
+
+  logical, dimension(:), allocatable :: myKinematics
+
+
+  myKinematics = kinematics_active2('anisobrittle')
+  if(count(myKinematics) == 0) return
+
+  print'(/,a)', ' <<<+-  phase:mechanical:eigen:cleavageopening init  -+>>>'
+  print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
+
+end function kinematics_cleavage_opening_init
+
+
+
+
+end submodule cleavageopening

src/phase_mechanical_eigen_slipplaneopening.f90

@@ -4,7 +4,7 @@
 !> @brief material subroutine incorporating kinematics resulting from opening of slip planes
 !> @details to be done
 !--------------------------------------------------------------------------------------------------
-submodule(phase:eigendeformation) slipplaneopening
+submodule(phase:eigen) slipplaneopening
 
   integer, dimension(:), allocatable :: kinematics_slipplane_opening_instance
 
@@ -32,12 +32,11 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
+module function kinematics_slipplane_opening_init() result(myKinematics)
 
-  integer, intent(in)                  :: kinematics_length
+  logical, dimension(:), allocatable :: myKinematics
-  logical, dimension(:,:), allocatable :: myKinematics
 
-  integer :: Ninstances,p,i,k
+  integer :: p,i
   character(len=pStringLen) :: extmsg = ''
   integer,     dimension(:),   allocatable :: N_sl
   real(pReal), dimension(:,:), allocatable :: d,n,t
@@ -49,28 +48,26 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
     kinematics, &
     kinematic_type
 
-  print'(/,a)', ' <<<+-  phase:mechanics:eigendeformation:slipplaneopening init  -+>>>'
 
-  myKinematics = kinematics_active('slipplane_opening',kinematics_length)
+  myKinematics = kinematics_active2('isoductile')
-  Ninstances = count(myKinematics)
+  if(count(myKinematics) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+  print'(/,a)', ' <<<+-  phase:mechanical:eigen:slipplaneopening init  -+>>>'
-  if(Ninstances == 0) return
+  print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
+
 
   phases => config_material%get('phase')
-  allocate(kinematics_slipplane_opening_instance(phases%length), source=0)
+  allocate(param(phases%length))
-  allocate(param(Ninstances))
 
   do p = 1, phases%length
-    if(any(myKinematics(:,p))) kinematics_slipplane_opening_instance(p) = count(myKinematics(:,1:p))
+    if(myKinematics(p)) then
-    phase => phases%get(p)
+      phase => phases%get(p)
-    mech  => phase%get('mechanics')
+      mech  => phase%get('mechanics')
-    pl    => mech%get('plasticity')
+      pl    => mech%get('plasticity')
-    if(count(myKinematics(:,p)) == 0) cycle
+
-    kinematics => phase%get('kinematics')
+      kinematics => phase%get('damage')
-    do k = 1, kinematics%length
+
-      if(myKinematics(k,p)) then
+      associate(prm  => param(p))
-        associate(prm  => param(kinematics_slipplane_opening_instance(p)))
+        kinematic_type => kinematics%get(1)
-        kinematic_type => kinematics%get(k)
 
         prm%dot_o    = kinematic_type%get_asFloat('dot_o')
         prm%q        = kinematic_type%get_asFloat('q')
@@ -105,9 +102,8 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
 !  exit if any parameter is out of range
         if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(slipplane_opening)')
 
-        end associate
+      end associate
-      endif
+    endif
-    enddo
   enddo
 
 
@@ -117,12 +113,10 @@ end function kinematics_slipplane_opening_init
 !--------------------------------------------------------------------------------------------------
 !> @brief  contains the constitutive equation for calculating the velocity gradient
 !--------------------------------------------------------------------------------------------------
-module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
+module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
 
   integer, intent(in) :: &
-    co, &                                                                                          !< grain number
+    ph, me
-    ip, &                                                                                           !< integration point number
-    el                                                                                              !< element number
   real(pReal),   intent(in),  dimension(3,3) :: &
     S
   real(pReal),   intent(out), dimension(3,3) :: &
@@ -131,19 +125,13 @@ module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S
     dLd_dTstar                                                                                      !< derivative of Ld with respect to Tstar (4th-order tensor)
 
   integer :: &
-    instance, phase, &
-    homog, damageOffset, &
     i, k, l, m, n
   real(pReal) :: &
     traction_d, traction_t, traction_n, traction_crit, &
     udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
 
-  phase = material_phaseAt(co,el)
-  instance = kinematics_slipplane_opening_instance(phase)
-  homog = material_homogenizationAt(el)
-  damageOffset = material_homogenizationMemberAt(ip,el)
 
-  associate(prm => param(instance))
+  associate(prm => param(ph))
   Ld = 0.0_pReal
   dLd_dTstar = 0.0_pReal
   do i = 1, prm%sum_N_sl
@@ -152,7 +140,7 @@ module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S
     traction_t = math_tensordot(S,prm%P_t(1:3,1:3,i))
     traction_n = math_tensordot(S,prm%P_n(1:3,1:3,i))
 
-    traction_crit = prm%g_crit(i)* damage(homog)%p(damageOffset)                                  ! degrading critical load carrying capacity by damage
+    traction_crit = prm%g_crit(i)* damage_phi(ph,me)
 
     udotd = sign(1.0_pReal,traction_d)* prm%dot_o* (  abs(traction_d)/traction_crit &
                                                     - abs(traction_d)/prm%g_crit(i))**prm%q

src/phase_mechanical_eigen_thermalexpansion.f90

@@ -3,7 +3,7 @@
 !> @brief material subroutine incorporating kinematics resulting from thermal expansion
 !> @details to be done
 !--------------------------------------------------------------------------------------------------
-submodule(phase:eigendeformation) thermalexpansion
+submodule(phase:eigen) thermalexpansion
 
   integer, dimension(:), allocatable :: kinematics_thermal_expansion_instance
 
@@ -23,7 +23,7 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
+module function thermalexpansion_init(kinematics_length) result(myKinematics)
 
   integer, intent(in)                  :: kinematics_length
   logical, dimension(:,:), allocatable :: myKinematics
@@ -36,7 +36,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
     kinematics, &
     kinematic_type
 
-  print'(/,a)', ' <<<+-  phase:mechanics:eigendeformation:thermalexpansion init  -+>>>'
+  print'(/,a)', ' <<<+-  phase:mechanical:eigen:thermalexpansion init  -+>>>'
 
   myKinematics = kinematics_active('thermal_expansion',kinematics_length)
   Ninstances = count(myKinematics)
@@ -77,7 +77,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
   enddo
 
 
-end function kinematics_thermal_expansion_init
+end function thermalexpansion_init
 
 
 !--------------------------------------------------------------------------------------------------

src/phase_mechanical_plastic.f90

@@ -1,4 +1,4 @@
-submodule(phase:mechanics) plastic
+submodule(phase:mechanical) plastic
 
   interface
 
@@ -104,7 +104,7 @@ submodule(phase:mechanics) plastic
     end subroutine dislotungsten_LpAndItsTangent
 
     module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
-                                                       Mp,Temperature,ph,me,ip,el)
+                                                       Mp,Temperature,ph,me)
       real(pReal), dimension(3,3),     intent(out) :: &
         Lp
       real(pReal), dimension(3,3,3,3), intent(out) :: &
@@ -116,9 +116,7 @@ submodule(phase:mechanics) plastic
         Temperature
       integer,                         intent(in) :: &
         ph, &
-        me, &
+        me
-        ip, &                                                                                       !< current integration point
-        el                                                                                          !< current element number
     end subroutine nonlocal_LpAndItsTangent
 
 
@@ -179,44 +177,42 @@ submodule(phase:mechanics) plastic
         el                                                                                          !< current element number
     end subroutine nonlocal_dotState
 
-    module subroutine dislotwin_dependentState(T,instance,me)
+    module subroutine dislotwin_dependentState(T,ph,me)
       integer,       intent(in) :: &
-        instance, &
+        ph, &
         me
       real(pReal),   intent(in) :: &
         T
     end subroutine dislotwin_dependentState
 
-    module subroutine dislotungsten_dependentState(instance,me)
+    module subroutine dislotungsten_dependentState(ph,me)
       integer,       intent(in) :: &
-        instance, &
+        ph, &
         me
     end subroutine dislotungsten_dependentState
 
-    module subroutine nonlocal_dependentState(instance, me, ip, el)
+    module subroutine nonlocal_dependentState(ph, me, ip, el)
       integer, intent(in) :: &
-        instance, &
+        ph, &
         me, &
         ip, &                                                                                       !< current integration point
         el                                                                                          !< current element number
     end subroutine nonlocal_dependentState
 
-    module subroutine plastic_kinehardening_deltaState(Mp,instance,me)
+    module subroutine plastic_kinehardening_deltaState(Mp,ph,me)
       real(pReal), dimension(3,3),  intent(in) :: &
         Mp                                                                                          !< Mandel stress
       integer,                      intent(in) :: &
-        instance, &
+        ph, &
         me
     end subroutine plastic_kinehardening_deltaState
 
-    module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
+    module subroutine plastic_nonlocal_deltaState(Mp,ph,me)
       real(pReal), dimension(3,3), intent(in) :: &
         Mp
       integer, intent(in) :: &
-        instance, &
+        ph, &
-        me, &
+        me
-        ip, &
-        el
     end subroutine plastic_nonlocal_deltaState
 
   end interface
@@ -226,7 +222,7 @@ contains
 module subroutine plastic_init
 
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic init  -+>>>'
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic init  -+>>>'
 
   where(plastic_none_init())              phase_plasticity = PLASTICITY_NONE_ID
   where(plastic_isotropic_init())         phase_plasticity = PLASTICITY_ISOTROPIC_ID
@@ -244,11 +240,9 @@ end subroutine plastic_init
 ! Mp in, dLp_dMp out
 !--------------------------------------------------------------------------------------------------
 module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
-                                     S, Fi, co, ip, el)
+                                           S, Fi, ph,me)
   integer, intent(in) :: &
-    co, &                                                                                           !< component-ID of integration point
+    ph,me
-    ip, &                                                                                           !< integration point
-    el                                                                                              !< element
   real(pReal),   intent(in),  dimension(3,3) :: &
     S, &                                                                                            !< 2nd Piola-Kirchhoff stress
     Fi                                                                                              !< intermediate deformation gradient
@@ -263,38 +257,37 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
   real(pReal), dimension(3,3) :: &
     Mp                                                                                              !< Mandel stress work conjugate with Lp
   integer :: &
-    i, j, me, ph
+    i, j
 
 
   Mp = matmul(matmul(transpose(Fi),Fi),S)
-  me = material_phasememberAt(co,ip,el)
-  ph = material_phaseAt(co,el)
 
-  plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
 
-    case (PLASTICITY_NONE_ID) plasticityType
+  plasticType: select case (phase_plasticity(ph))
+
+    case (PLASTICITY_NONE_ID) plasticType
       Lp = 0.0_pReal
       dLp_dMp = 0.0_pReal
 
-    case (PLASTICITY_ISOTROPIC_ID) plasticityType
+    case (PLASTICITY_ISOTROPIC_ID) plasticType
       call isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
 
-    case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
+    case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
       call phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
 
-    case (PLASTICITY_KINEHARDENING_ID) plasticityType
+    case (PLASTICITY_KINEHARDENING_ID) plasticType
       call kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
 
-    case (PLASTICITY_NONLOCAL_ID) plasticityType
+    case (PLASTICITY_NONLOCAL_ID) plasticType
-      call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me,ip,el)
+      call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me)
 
-    case (PLASTICITY_DISLOTWIN_ID) plasticityType
+    case (PLASTICITY_DISLOTWIN_ID) plasticType
       call dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me)
 
-    case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
+    case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
       call dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me)
 
-  end select plasticityType
+  end select plasticType
 
   do i=1,3; do j=1,3
     dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
@@ -323,29 +316,29 @@ module function plastic_dotState(subdt,co,ip,el,ph,me) result(broken)
   logical :: broken
 
 
-  Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,me)),&
+  Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,me)),&
-                     constitutive_mech_Fi(ph)%data(1:3,1:3,me)),constitutive_mech_S(ph)%data(1:3,1:3,me))
+                     phase_mechanical_Fi(ph)%data(1:3,1:3,me)),phase_mechanical_S(ph)%data(1:3,1:3,me))
 
-  plasticityType: select case (phase_plasticity(ph))
+  plasticType: select case (phase_plasticity(ph))
 
-    case (PLASTICITY_ISOTROPIC_ID) plasticityType
+    case (PLASTICITY_ISOTROPIC_ID) plasticType
       call isotropic_dotState(Mp,ph,me)
 
-    case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
+    case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
       call phenopowerlaw_dotState(Mp,ph,me)
 
-    case (PLASTICITY_KINEHARDENING_ID) plasticityType
+    case (PLASTICITY_KINEHARDENING_ID) plasticType
       call plastic_kinehardening_dotState(Mp,ph,me)
 
-    case (PLASTICITY_DISLOTWIN_ID) plasticityType
+    case (PLASTICITY_DISLOTWIN_ID) plasticType
       call dislotwin_dotState(Mp,thermal_T(ph,me),ph,me)
 
-    case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
+    case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
       call dislotungsten_dotState(Mp,thermal_T(ph,me),ph,me)
 
-    case (PLASTICITY_NONLOCAL_ID) plasticityType
+    case (PLASTICITY_NONLOCAL_ID) plasticType
       call nonlocal_dotState(Mp,thermal_T(ph,me),subdt,ph,me,ip,el)
-  end select plasticityType
+  end select plasticType
   broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,me)))
 
 
@@ -364,25 +357,24 @@ module subroutine plastic_dependentState(co, ip, el)
 
   integer :: &
     ph, &
-    instance, me
+    me
 
 
   ph = material_phaseAt(co,el)
   me = material_phasememberAt(co,ip,el)
-  instance = phase_plasticityInstance(ph)
 
-  plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
+  plasticType: select case (phase_plasticity(material_phaseAt(co,el)))
 
-    case (PLASTICITY_DISLOTWIN_ID) plasticityType
+    case (PLASTICITY_DISLOTWIN_ID) plasticType
-      call dislotwin_dependentState(thermal_T(ph,me),instance,me)
+      call dislotwin_dependentState(thermal_T(ph,me),ph,me)
 
-    case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
+    case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
-      call dislotungsten_dependentState(instance,me)
+      call dislotungsten_dependentState(ph,me)
 
-    case (PLASTICITY_NONLOCAL_ID) plasticityType
+    case (PLASTICITY_NONLOCAL_ID) plasticType
-      call nonlocal_dependentState(instance,me,ip,el)
+      call nonlocal_dependentState(ph,me,ip,el)
 
-  end select plasticityType
+  end select plasticType
 
 end subroutine plastic_dependentState
 
@@ -391,12 +383,9 @@ end subroutine plastic_dependentState
 !> @brief for constitutive models having an instantaneous change of state
 !> will return false if delta state is not needed/supported by the constitutive model
 !--------------------------------------------------------------------------------------------------
-module function plastic_deltaState(co, ip, el, ph, me) result(broken)
+module function plastic_deltaState(ph, me) result(broken)
 
   integer, intent(in) :: &
-    co, &                                                                                           !< component-ID of integration point
-    ip, &                                                                                           !< integration point
-    el, &                                                                                           !< element
     ph, &
     me
   logical :: &
@@ -405,29 +394,27 @@ module function plastic_deltaState(co, ip, el, ph, me) result(broken)
   real(pReal),               dimension(3,3) :: &
     Mp
   integer :: &
-    instance, &
     myOffset, &
     mySize
 
 
-  Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,me)),&
+  Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,me)),&
-                     constitutive_mech_Fi(ph)%data(1:3,1:3,me)),constitutive_mech_S(ph)%data(1:3,1:3,me))
+                     phase_mechanical_Fi(ph)%data(1:3,1:3,me)),phase_mechanical_S(ph)%data(1:3,1:3,me))
-  instance = phase_plasticityInstance(ph)
 
-  plasticityType: select case (phase_plasticity(ph))
+  plasticType: select case (phase_plasticity(ph))
 
-    case (PLASTICITY_KINEHARDENING_ID) plasticityType
+    case (PLASTICITY_KINEHARDENING_ID) plasticType
-      call plastic_kinehardening_deltaState(Mp,instance,me)
+      call plastic_kinehardening_deltaState(Mp,ph,me)
       broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,me)))
 
-    case (PLASTICITY_NONLOCAL_ID) plasticityType
+    case (PLASTICITY_NONLOCAL_ID) plasticType
-      call plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
+      call plastic_nonlocal_deltaState(Mp,ph,me)
       broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,me)))
 
     case default
       broken = .false.
 
-  end select plasticityType
+  end select plasticType
 
   if(.not. broken) then
     select case(phase_plasticity(ph))

src/phase_mechanical_plastic_dislotungsten.f90

@@ -78,8 +78,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
 
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
-    Ninstances, &
+    ph, i, &
-    p, i, &
     Nconstituents, &
     sizeState, sizeDotState, &
     startIndex, endIndex
@@ -97,32 +96,31 @@ module function plastic_dislotungsten_init() result(myPlasticity)
     mech, &
     pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:dislotungsten init  -+>>>'
 
   myPlasticity = plastic_active('dislotungsten')
-  Ninstances = count(myPlasticity)
+  if(count(myPlasticity) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:dislotungsten init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
 
   print*, 'Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
   print*, 'https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
 
-  allocate(param(Ninstances))
-  allocate(state(Ninstances))
-  allocate(dotState(Ninstances))
-  allocate(dependentState(Ninstances))
 
   phases => config_material%get('phase')
-  i = 0
+  allocate(param(phases%length))
-  do p = 1, phases%length
+  allocate(state(phases%length))
-    phase => phases%get(p)
+  allocate(dotState(phases%length))
+  allocate(dependentState(phases%length))
+
+
+  do ph = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
+
+    associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
+
+    phase => phases%get(ph)
     mech  => phase%get('mechanics')
-    if(.not. myPlasticity(p)) cycle
-    i = i + 1
-    associate(prm => param(i), &
-              dot => dotState(i), &
-              stt => state(i), &
-              dst => dependentState(i))
     pl  => mech%get('plasticity')
 
 #if defined (__GFORTRAN__)
@@ -132,7 +130,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
 #endif
 
     ! This data is read in already in lattice
-    prm%mu = lattice_mu(p)
+    prm%mu = lattice_mu(ph)
 
 !--------------------------------------------------------------------------------------------------
 ! slip related parameters
@@ -222,41 +220,41 @@ module function plastic_dislotungsten_init() result(myPlasticity)
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
-    Nconstituents = count(material_phaseAt2 == p)
+    Nconstituents = count(material_phaseAt2 == ph)
     sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
     sizeState = sizeDotState
 
-    call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
+    call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
 
 !--------------------------------------------------------------------------------------------------
 ! state aliases and initialization
     startIndex = 1
     endIndex   = prm%sum_N_sl
-    stt%rho_mob => plasticState(p)%state(startIndex:endIndex,:)
+    stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
     stt%rho_mob =  spread(rho_mob_0,2,Nconstituents)
-    dot%rho_mob => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%rho_mob => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
-    if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
+    if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%rho_dip => plasticState(p)%state(startIndex:endIndex,:)
+    stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
     stt%rho_dip =  spread(rho_dip_0,2,Nconstituents)
-    dot%rho_dip => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%rho_dip => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%gamma_sl => plasticState(p)%state(startIndex:endIndex,:)
+    stt%gamma_sl => plasticState(ph)%state(startIndex:endIndex,:)
-    dot%gamma_sl => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%gamma_sl => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = 1.0e-2_pReal
+    plasticState(ph)%atol(startIndex:endIndex) = 1.0e-2_pReal
     ! global alias
-    plasticState(p)%slipRate        => plasticState(p)%dotState(startIndex:endIndex,:)
+    plasticState(ph)%slipRate        => plasticState(ph)%dotState(startIndex:endIndex,:)
 
     allocate(dst%Lambda_sl(prm%sum_N_sl,Nconstituents),         source=0.0_pReal)
     allocate(dst%threshold_stress(prm%sum_N_sl,Nconstituents),  source=0.0_pReal)
 
-    plasticState(p)%state0 = plasticState(p)%state                                                  ! ToDo: this could be done centrally
+    plasticState(ph)%state0 = plasticState(ph)%state                                                ! ToDo: this could be done centrally
 
     end associate
 
@@ -289,16 +287,16 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
 
   integer :: &
     i,k,l,m,n
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     dot_gamma_pos,dot_gamma_neg, &
     ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
 
   Lp = 0.0_pReal
   dLp_dMp = 0.0_pReal
 
-  associate(prm => param(phase_plasticityInstance(ph)))
+  associate(prm => param(ph))
 
-  call kinetics(Mp,T,phase_plasticityInstance(ph),me,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
+  call kinetics(Mp,T,ph,me,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
   do i = 1, prm%sum_N_sl
     Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(i))*prm%P_sl(1:3,1:3,i)
     forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@@ -327,7 +325,7 @@ module subroutine dislotungsten_dotState(Mp,T,ph,me)
 
   real(pReal) :: &
     VacancyDiffusion
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     gdot_pos, gdot_neg,&
     tau_pos,&
     tau_neg, &
@@ -336,10 +334,10 @@ module subroutine dislotungsten_dotState(Mp,T,ph,me)
     dot_rho_dip_climb, &
     dip_distance
 
-  associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)),&
+  associate(prm => param(ph), stt => state(ph),&
-            dot => dotState(phase_plasticityInstance(ph)), dst => dependentState(phase_plasticityInstance(ph)))
+            dot => dotState(ph), dst => dependentState(ph))
 
-  call kinetics(Mp,T,phase_plasticityInstance(ph),me,&
+  call kinetics(Mp,T,ph,me,&
                 gdot_pos,gdot_neg, &
                 tau_pos_out = tau_pos,tau_neg_out = tau_neg)
 
@@ -376,16 +374,16 @@ end subroutine dislotungsten_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief Calculate derived quantities from state.
 !--------------------------------------------------------------------------------------------------
-module subroutine dislotungsten_dependentState(instance,me)
+module subroutine dislotungsten_dependentState(ph,me)
 
   integer,      intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     dislocationSpacing
 
-  associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
+  associate(prm => param(ph), stt => state(ph),dst => dependentState(ph))
 
   dislocationSpacing = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,me)+stt%rho_dip(:,me)))
   dst%threshold_stress(:,me) = prm%mu*prm%b_sl &
@@ -401,14 +399,14 @@ end subroutine dislotungsten_dependentState
 !--------------------------------------------------------------------------------------------------
 !> @brief Write results to HDF5 output file.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_dislotungsten_results(instance,group)
+module subroutine plastic_dislotungsten_results(ph,group)
 
-  integer,          intent(in) :: instance
+  integer,          intent(in) :: ph
   character(len=*), intent(in) :: group
 
   integer :: o
 
-  associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
+  associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
   outputsLoop: do o = 1,size(prm%output)
     select case(trim(prm%output(o)))
       case('rho_mob')
@@ -440,7 +438,7 @@ end subroutine plastic_dislotungsten_results
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics(Mp,T,instance,me, &
+pure subroutine kinetics(Mp,T,ph,me, &
                  dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg,tau_pos_out,tau_neg_out)
 
   real(pReal), dimension(3,3),  intent(in) :: &
@@ -448,18 +446,18 @@ pure subroutine kinetics(Mp,T,instance,me, &
   real(pReal),                  intent(in) :: &
     T                                                                                               !< temperature
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal),                  intent(out), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal),                  intent(out), dimension(param(ph)%sum_N_sl) :: &
     dot_gamma_pos, &
     dot_gamma_neg
-  real(pReal),                  intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
+  real(pReal),                  intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
     ddot_gamma_dtau_pos, &
     ddot_gamma_dtau_neg, &
     tau_pos_out, &
     tau_neg_out
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     StressRatio, &
     StressRatio_p,StressRatio_pminus1, &
     dvel, vel, &
@@ -468,7 +466,7 @@ pure subroutine kinetics(Mp,T,instance,me, &
     needsGoodName                                                                                   ! ToDo: @Karo: any idea?
   integer :: j
 
-  associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
+  associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
 
   do j = 1, prm%sum_N_sl
     tau_pos(j) = math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,j))

src/phase_mechanical_plastic_dislotwin.f90

@@ -48,7 +48,7 @@ submodule(phase:plastic) dislotwin
       dot_N_0_tr, &                                                                                 !< trans nucleation rate [1/m³s] for each trans system
       t_tw, &                                                                                       !< twin thickness [m] for each twin system
       i_sl, &                                                                                       !< Adj. parameter for distance between 2 forest dislocations for each slip system
-      t_tr, &                                                                                       !< martensite lamellar thickness [m] for each trans system and instance
+      t_tr, &                                                                                       !< martensite lamellar thickness [m] for each trans system
       p, &                                                                                          !< p-exponent in glide velocity
       q, &                                                                                          !< q-exponent in glide velocity
       r, &                                                                                          !< r-exponent in twin nucleation rate
@@ -126,8 +126,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
 
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
-    Ninstances, &
+    ph, i, &
-    p, i, &
     Nconstituents, &
     sizeState, sizeDotState, &
     startIndex, endIndex
@@ -144,12 +143,12 @@ module function plastic_dislotwin_init() result(myPlasticity)
     mech, &
     pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:dislotwin init  -+>>>'
 
   myPlasticity = plastic_active('dislotwin')
-  Ninstances = count(myPlasticity)
+  if(count(myPlasticity) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:dislotwin init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
 
   print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
   print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
@@ -160,22 +159,21 @@ module function plastic_dislotwin_init() result(myPlasticity)
   print*, 'Wong et al., Acta Materialia 118:140–151, 2016'
   print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
 
-  allocate(param(Ninstances))
-  allocate(state(Ninstances))
-  allocate(dotState(Ninstances))
-  allocate(dependentState(Ninstances))
 
   phases => config_material%get('phase')
-  i = 0
+  allocate(param(phases%length))
-  do p = 1, phases%length
+  allocate(state(phases%length))
-    phase => phases%get(p)
+  allocate(dotState(phases%length))
+  allocate(dependentState(phases%length))
+
+
+  do ph = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
+
+    associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
+
+    phase => phases%get(ph)
     mech  => phase%get('mechanics')
-    if(.not. myPlasticity(p)) cycle
-    i = i + 1
-    associate(prm => param(i), &
-              dot => dotState(i), &
-              stt => state(i), &
-              dst => dependentState(i))
     pl  => mech%get('plasticity')
 
 #if defined (__GFORTRAN__)
@@ -185,9 +183,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
 #endif
 
     ! This data is read in already in lattice
-    prm%mu  = lattice_mu(p)
+    prm%mu  = lattice_mu(ph)
-    prm%nu  = lattice_nu(p)
+    prm%nu  = lattice_nu(ph)
-    prm%C66 = lattice_C66(1:6,1:6,p)
+    prm%C66 = lattice_C66(1:6,1:6,ph)
 
 !--------------------------------------------------------------------------------------------------
 ! slip related parameters
@@ -204,8 +202,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
 
       prm%n0_sl            = lattice_slip_normal(N_sl,phase%get_asString('lattice'),&
                                                  phase%get_asFloat('c/a',defaultVal=0.0_pReal))
-      prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == lattice_FCC_ID) &
+      prm%fccTwinTransNucleation = lattice_structure(ph) == lattice_FCC_ID .and. (N_sl(1) == 12)
-                                 .and. (N_sl(1) == 12)
       if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
 
       rho_mob_0                = pl%get_asFloats('rho_mob_0',   requiredSize=size(N_sl))
@@ -234,7 +231,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
       ! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
       ! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
       prm%omega = pl%get_asFloat('omega',  defaultVal = 1000.0_pReal) &
-                * merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID]))
+                * merge(12.0_pReal,8.0_pReal,any(lattice_structure(ph) == [lattice_FCC_ID,lattice_HEX_ID]))
 
       ! expand: family => system
       rho_mob_0        = math_expand(rho_mob_0,       N_sl)
@@ -342,7 +339,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
                                                pl%get_asFloat('a_cI', defaultVal=0.0_pReal), &
                                                pl%get_asFloat('a_cF', defaultVal=0.0_pReal))
 
-      if (lattice_structure(p) /= lattice_FCC_ID) then
+      if (lattice_structure(ph) /= lattice_FCC_ID) then
         prm%dot_N_0_tr = pl%get_asFloats('dot_N_0_tr')
         prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,N_tr)
       endif
@@ -357,7 +354,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
       if (    prm%i_tr          < 0.0_pReal)  extmsg = trim(extmsg)//' i_tr'
       if (any(prm%t_tr          < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
       if (any(prm%s             < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr'
-      if (lattice_structure(p) /= lattice_FCC_ID) then
+      if (lattice_structure(ph) /= lattice_FCC_ID) then
         if (any(prm%dot_N_0_tr  < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
       endif
     else transActive
@@ -408,53 +405,53 @@ module function plastic_dislotwin_init() result(myPlasticity)
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
-    Nconstituents  = count(material_phaseAt2 == p)
+    Nconstituents  = count(material_phaseAt2 == ph)
     sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl &
                  + size(['f_tw'])                           * prm%sum_N_tw &
                  + size(['f_tr'])                           * prm%sum_N_tr
     sizeState = sizeDotState
 
 
-    call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
+    call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
 
 !--------------------------------------------------------------------------------------------------
 ! locally defined state aliases and initialization of state0 and atol
     startIndex = 1
     endIndex   = prm%sum_N_sl
-    stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
+    stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
     stt%rho_mob= spread(rho_mob_0,2,Nconstituents)
-    dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%rho_mob=>plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
-    if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
+    if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
+    stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
     stt%rho_dip= spread(rho_dip_0,2,Nconstituents)
-    dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%rho_dip=>plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
+    stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
-    dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%gamma_sl=>plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = 1.0e-2_pReal
+    plasticState(ph)%atol(startIndex:endIndex) = 1.0e-2_pReal
     ! global alias
-    plasticState(p)%slipRate        => plasticState(p)%dotState(startIndex:endIndex,:)
+    plasticState(ph)%slipRate        => plasticState(ph)%dotState(startIndex:endIndex,:)
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_tw
-    stt%f_tw=>plasticState(p)%state(startIndex:endIndex,:)
+    stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
-    dot%f_tw=>plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%f_tw=>plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
-    if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
+    if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_tr
-    stt%f_tr=>plasticState(p)%state(startIndex:endIndex,:)
+    stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
-    dot%f_tr=>plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%f_tr=>plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
-    if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
+    if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
 
     allocate(dst%Lambda_sl             (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
     allocate(dst%tau_pass              (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
@@ -469,7 +466,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
     allocate(dst%tau_r_tr              (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
     allocate(dst%V_tr                  (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
 
-    plasticState(p)%state0 = plasticState(p)%state                                                  ! ToDo: this could be done centrally
+    plasticState(ph)%state0 = plasticState(ph)%state                                                ! ToDo: this could be done centrally
 
     end associate
 
@@ -496,8 +493,8 @@ module function plastic_dislotwin_homogenizedC(ph,me) result(homogenizedC)
   real(pReal) :: f_unrotated
 
 
-  associate(prm => param(phase_plasticityInstance(ph)),&
+  associate(prm => param(ph),&
-            stt => state(phase_plasticityInstance(ph)))
+            stt => state(ph))
 
   f_unrotated = 1.0_pReal &
               - sum(stt%f_tw(1:prm%sum_N_tw,me)) &
@@ -535,11 +532,11 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
      BoltzmannRatio, &
      ddot_gamma_dtau, &
      tau
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     dot_gamma_sl,ddot_gamma_dtau_slip
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tw) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw) :: &
     dot_gamma_twin,ddot_gamma_dtau_twin
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tr) :: &
+  real(pReal), dimension(param(ph)%sum_N_tr) :: &
     dot_gamma_tr,ddot_gamma_dtau_trans
   real(pReal):: dot_gamma_sb
   real(pReal), dimension(3,3) :: eigVectors, P_sb
@@ -564,7 +561,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
          0, 1, 1  &
          ],pReal),[ 3,6])
 
-  associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)))
+  associate(prm => param(ph), stt => state(ph))
 
   f_unrotated = 1.0_pReal &
               - sum(stt%f_tw(1:prm%sum_N_tw,me)) &
@@ -573,7 +570,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
   Lp = 0.0_pReal
   dLp_dMp = 0.0_pReal
 
-  call kinetics_slip(Mp,T,phase_plasticityInstance(ph),me,dot_gamma_sl,ddot_gamma_dtau_slip)
+  call kinetics_slip(Mp,T,ph,me,dot_gamma_sl,ddot_gamma_dtau_slip)
   slipContribution: do i = 1, prm%sum_N_sl
     Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
     forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@@ -581,7 +578,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
                        + ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
   enddo slipContribution
 
-  call kinetics_twin(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_twin,ddot_gamma_dtau_twin)
+  call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin,ddot_gamma_dtau_twin)
   twinContibution: do i = 1, prm%sum_N_tw
     Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i)
     forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@@ -589,7 +586,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
                        + ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
   enddo twinContibution
 
-  call kinetics_trans(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_tr,ddot_gamma_dtau_trans)
+  call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr,ddot_gamma_dtau_trans)
   transContibution: do i = 1, prm%sum_N_tr
     Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i)
     forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@@ -653,24 +650,24 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
     tau, &
     sigma_cl, &                                                                                     !< climb stress
     b_d                                                                                             !< ratio of Burgers vector to stacking fault width
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     dot_rho_dip_formation, &
     dot_rho_dip_climb, &
     rho_dip_distance_min, &
     dot_gamma_sl
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tw) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw) :: &
     dot_gamma_twin
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tr) :: &
+  real(pReal), dimension(param(ph)%sum_N_tr) :: &
     dot_gamma_tr
 
-  associate(prm => param(phase_plasticityInstance(ph)),    stt => state(phase_plasticityInstance(ph)), &
+  associate(prm => param(ph),    stt => state(ph), &
-            dot => dotState(phase_plasticityInstance(ph)), dst => dependentState(phase_plasticityInstance(ph)))
+            dot => dotState(ph), dst => dependentState(ph))
 
   f_unrotated = 1.0_pReal &
               - sum(stt%f_tw(1:prm%sum_N_tw,me)) &
               - sum(stt%f_tr(1:prm%sum_N_tr,me))
 
-  call kinetics_slip(Mp,T,phase_plasticityInstance(ph),me,dot_gamma_sl)
+  call kinetics_slip(Mp,T,ph,me,dot_gamma_sl)
   dot%gamma_sl(:,me) = abs(dot_gamma_sl)
 
   rho_dip_distance_min = prm%D_a*prm%b_sl
@@ -721,10 +718,10 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
                     - 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,me)*abs(dot_gamma_sl) &
                     - dot_rho_dip_climb
 
-  call kinetics_twin(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_twin)
+  call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin)
   dot%f_tw(:,me) = f_unrotated*dot_gamma_twin/prm%gamma_char
 
-  call kinetics_trans(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_tr)
+  call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr)
   dot%f_tr(:,me) = f_unrotated*dot_gamma_tr
 
   end associate
@@ -735,33 +732,33 @@ end subroutine dislotwin_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief Calculate derived quantities from state.
 !--------------------------------------------------------------------------------------------------
-module subroutine dislotwin_dependentState(T,instance,me)
+module subroutine dislotwin_dependentState(T,ph,me)
 
   integer,       intent(in) :: &
-    instance, &
+    ph, &
     me
   real(pReal),   intent(in) :: &
     T
 
   real(pReal) :: &
     sumf_twin,Gamma,sumf_trans
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     inv_lambda_sl_sl, &                                                                             !< 1/mean free distance between 2 forest dislocations seen by a moving dislocation
     inv_lambda_sl_tw, &                                                                             !< 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
     inv_lambda_sl_tr                                                                                !< 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
-  real(pReal), dimension(param(instance)%sum_N_tw) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw) :: &
     inv_lambda_tw_tw, &                                                                             !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
     f_over_t_tw
-   real(pReal), dimension(param(instance)%sum_N_tr) :: &
+   real(pReal), dimension(param(ph)%sum_N_tr) :: &
     inv_lambda_tr_tr, &                                                                             !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
     f_over_t_tr
   real(pReal), dimension(:), allocatable :: &
     x0
 
 
-  associate(prm => param(instance),&
+  associate(prm => param(ph),&
-            stt => state(instance),&
+            stt => state(ph),&
-            dst => dependentState(instance))
+            dst => dependentState(ph))
 
   sumf_twin  = sum(stt%f_tw(1:prm%sum_N_tw,me))
   sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,me))
@@ -827,14 +824,14 @@ end subroutine dislotwin_dependentState
 !--------------------------------------------------------------------------------------------------
 !> @brief Write results to HDF5 output file.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_dislotwin_results(instance,group)
+module subroutine plastic_dislotwin_results(ph,group)
 
-  integer,          intent(in) :: instance
+  integer,          intent(in) :: ph
   character(len=*), intent(in) :: group
 
   integer :: o
 
- associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
+ associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
   outputsLoop: do o = 1,size(prm%output)
     select case(trim(prm%output(o)))
 
@@ -882,7 +879,7 @@ end subroutine plastic_dislotwin_results
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics_slip(Mp,T,instance,me, &
+pure subroutine kinetics_slip(Mp,T,ph,me, &
                               dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
 
   real(pReal), dimension(3,3),  intent(in) :: &
@@ -890,18 +887,18 @@ pure subroutine kinetics_slip(Mp,T,instance,me, &
   real(pReal),                  intent(in) :: &
     T                                                                                               !< temperature
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
     dot_gamma_sl
-  real(pReal), dimension(param(instance)%sum_N_sl), optional, intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
     ddot_gamma_dtau_slip, &
     tau_slip
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     ddot_gamma_dtau
 
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau, &
     stressRatio, &
     StressRatio_p, &
@@ -914,7 +911,7 @@ pure subroutine kinetics_slip(Mp,T,instance,me, &
     tau_eff                                                                                         !< effective resolved stress
   integer :: i
 
-  associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
+  associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
 
   do i = 1, prm%sum_N_sl
     tau(i) = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
@@ -959,7 +956,7 @@ end subroutine kinetics_slip
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end.
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
+pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
                               dot_gamma_twin,ddot_gamma_dtau_twin)
 
   real(pReal), dimension(3,3),  intent(in) :: &
@@ -967,17 +964,17 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
   real(pReal),                  intent(in) :: &
     T                                                                                               !< temperature
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
-  real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
     dot_gamma_sl
 
-  real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
     dot_gamma_twin
-  real(pReal), dimension(param(instance)%sum_N_tw), optional, intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
     ddot_gamma_dtau_twin
 
-  real, dimension(param(instance)%sum_N_tw) :: &
+  real, dimension(param(ph)%sum_N_tw) :: &
     tau, &
     Ndot0, &
     stressRatio_r, &
@@ -985,7 +982,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
 
   integer :: i,s1,s2
 
-  associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
+  associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
 
   do i = 1, prm%sum_N_tw
     tau(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
@@ -1028,7 +1025,7 @@ end subroutine kinetics_twin
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end.
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,me,&
+pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,ph,me,&
                               dot_gamma_tr,ddot_gamma_dtau_trans)
 
   real(pReal), dimension(3,3),  intent(in) :: &
@@ -1036,24 +1033,24 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,me,&
   real(pReal),                  intent(in) :: &
     T                                                                                               !< temperature
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
-  real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
     dot_gamma_sl
 
-  real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
     dot_gamma_tr
-  real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
     ddot_gamma_dtau_trans
 
-  real, dimension(param(instance)%sum_N_tr) :: &
+  real, dimension(param(ph)%sum_N_tr) :: &
     tau, &
     Ndot0, &
     stressRatio_s, &
     ddot_gamma_dtau
 
   integer :: i,s1,s2
-  associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
+  associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
 
   do i = 1, prm%sum_N_tr
     tau(i) = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))

src/phase_mechanical_plastic_isotropic.f90

@@ -22,8 +22,6 @@ submodule(phase:plastic) isotropic
       c_4, &
       c_3, &
       c_2
-    integer :: &
-      of_debug = 0
     logical :: &
       dilatation
     character(len=pStringLen), allocatable, dimension(:) :: &
@@ -53,9 +51,7 @@ module function plastic_isotropic_init() result(myPlasticity)
 
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
-    Ninstances, &
+    ph, &
-    p, &
-    i, &
     Nconstituents, &
     sizeState, sizeDotState
   real(pReal) :: &
@@ -68,32 +64,29 @@ module function plastic_isotropic_init() result(myPlasticity)
     mech, &
     pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:isotropic init  -+>>>'
 
   myPlasticity = plastic_active('isotropic')
-  Ninstances = count(myPlasticity)
+  if(count(myPlasticity) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:isotropic init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
 
   print*, 'Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
   print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
 
-  allocate(param(Ninstances))
-  allocate(state(Ninstances))
-  allocate(dotState(Ninstances))
-
   phases => config_material%get('phase')
-  i = 0
+  allocate(param(phases%length))
-  do p = 1, phases%length
+  allocate(state(phases%length))
-    phase => phases%get(p)
+  allocate(dotState(phases%length))
-    mech  => phase%get('mechanics')
-    if(.not. myPlasticity(p)) cycle
-    i = i + 1
-    associate(prm => param(i), &
-              dot => dotState(i), &
-              stt => state(i))
-    pl  => mech%get('plasticity')
 
+  do ph = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
+
+    associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
+
+    phase => phases%get(ph)
+    mech  => phase%get('mechanics')
+    pl  => mech%get('plasticity')
 
 #if defined (__GFORTRAN__)
     prm%output = output_asStrings(pl)
@@ -101,11 +94,6 @@ module function plastic_isotropic_init() result(myPlasticity)
     prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
 #endif
 
-#ifdef DEBUG
-    if  (p==material_phaseAt(debugConstitutive%grain,debugConstitutive%element)) &
-      prm%of_debug = material_phasememberAt(debugConstitutive%grain,debugConstitutive%ip,debugConstitutive%element)
-#endif
-
     xi_0            = pl%get_asFloat('xi_0')
     prm%xi_inf      = pl%get_asFloat('xi_inf')
     prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0')
@@ -131,28 +119,28 @@ module function plastic_isotropic_init() result(myPlasticity)
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
-    Nconstituents = count(material_phaseAt2 == p)
+    Nconstituents = count(material_phaseAt2 == ph)
     sizeDotState = size(['xi   ','gamma'])
     sizeState = sizeDotState
 
-    call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
+    call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
 
 !--------------------------------------------------------------------------------------------------
 ! state aliases and initialization
-    stt%xi  => plasticState(p)%state   (1,:)
+    stt%xi  => plasticState(ph)%state   (1,:)
     stt%xi  =  xi_0
-    dot%xi  => plasticState(p)%dotState(1,:)
+    dot%xi  => plasticState(ph)%dotState(1,:)
-    plasticState(p)%atol(1) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(1) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
-    if (plasticState(p)%atol(1) < 0.0_pReal) extmsg = trim(extmsg)//' atol_xi'
+    if (plasticState(ph)%atol(1) < 0.0_pReal) extmsg = trim(extmsg)//' atol_xi'
 
-    stt%gamma  => plasticState(p)%state   (2,:)
+    stt%gamma  => plasticState(ph)%state   (2,:)
-    dot%gamma  => plasticState(p)%dotState(2,:)
+    dot%gamma  => plasticState(ph)%dotState(2,:)
-    plasticState(p)%atol(2) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
+    plasticState(ph)%atol(2) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
-    if (plasticState(p)%atol(2) < 0.0_pReal) extmsg = trim(extmsg)//' atol_gamma'
+    if (plasticState(ph)%atol(2) < 0.0_pReal) extmsg = trim(extmsg)//' atol_gamma'
     ! global alias
-    plasticState(p)%slipRate        => plasticState(p)%dotState(2:2,:)
+    plasticState(ph)%slipRate => plasticState(ph)%dotState(2:2,:)
 
-    plasticState(p)%state0 = plasticState(p)%state                                                  ! ToDo: this could be done centrally
+    plasticState(ph)%state0 = plasticState(ph)%state                                                ! ToDo: this could be done centrally
 
     end associate
 
@@ -190,7 +178,7 @@ module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
   integer :: &
     k, l, m, n
 
-  associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)))
+  associate(prm => param(ph), stt => state(ph))
 
   Mp_dev = math_deviatoric33(Mp)
   squarenorm_Mp_dev = math_tensordot(Mp_dev,Mp_dev)
@@ -220,7 +208,7 @@ end subroutine isotropic_LpAndItsTangent
 !--------------------------------------------------------------------------------------------------
 !> @brief Calculate inelastic velocity gradient and its tangent.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
+module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,me)
 
   real(pReal), dimension(3,3),     intent(out) :: &
     Li                                                                                              !< inleastic velocity gradient
@@ -230,7 +218,7 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
   real(pReal), dimension(3,3), intent(in) :: &
     Mi                                                                                              !< Mandel stress
   integer,                     intent(in) :: &
-    instance, &
+    ph, &
     me
 
   real(pReal) :: &
@@ -238,17 +226,15 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
   integer :: &
     k, l, m, n
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
 
   tr=math_trace33(math_spherical33(Mi))
 
-  if (prm%dilatation .and. abs(tr) > 0.0_pReal) then                                                 ! no stress or J2 plasticity --> Li and its derivative are zero
+  if (prm%dilatation .and. abs(tr) > 0.0_pReal) then                                                ! no stress or J2 plasticity --> Li and its derivative are zero
     Li = math_I3 &
        * prm%dot_gamma_0/prm%M * (3.0_pReal*prm%M*stt%xi(me))**(-prm%n) &
        * tr * abs(tr)**(prm%n-1.0_pReal)
-
     forall (k=1:3,l=1:3,m=1:3,n=1:3) dLi_dMi(k,l,m,n) = prm%n / tr * Li(k,l) * math_I3(m,n)
-
   else
     Li      = 0.0_pReal
     dLi_dMi = 0.0_pReal
@@ -275,8 +261,8 @@ module subroutine isotropic_dotState(Mp,ph,me)
     xi_inf_star, &                                                                                  !< saturation xi
     norm_Mp                                                                                         !< norm of the (deviatoric) Mandel stress
 
-  associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)), &
+  associate(prm => param(ph), stt => state(ph), &
-   dot => dotState(phase_plasticityInstance(ph)))
+   dot => dotState(ph))
 
   if (prm%dilatation) then
     norm_Mp = sqrt(math_tensordot(Mp,Mp))
@@ -312,14 +298,14 @@ end subroutine isotropic_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief Write results to HDF5 output file.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_isotropic_results(instance,group)
+module subroutine plastic_isotropic_results(ph,group)
 
-  integer,          intent(in) :: instance
+  integer,          intent(in) :: ph
   character(len=*), intent(in) :: group
 
   integer :: o
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
   outputsLoop: do o = 1,size(prm%output)
     select case(trim(prm%output(o)))
       case ('xi')

src/phase_mechanical_plastic_kinehardening.f90

@@ -25,8 +25,7 @@ submodule(phase:plastic) kinehardening
       nonSchmid_pos, &
       nonSchmid_neg
     integer :: &
-      sum_N_sl, &                                                                                   !< total number of active slip system
+      sum_N_sl
-      of_debug = 0
     logical :: &
       nonSchmidActive = .false.
     character(len=pStringLen), allocatable, dimension(:) :: &
@@ -62,8 +61,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
 
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
-    Ninstances, &
+    ph, o,  &
-    p, i, o,  &
     Nconstituents, &
     sizeState, sizeDeltaState, sizeDotState, &
     startIndex, endIndex
@@ -80,29 +78,27 @@ module function plastic_kinehardening_init() result(myPlasticity)
     mech, &
     pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:kinehardening init  -+>>>'
-
   myPlasticity = plastic_active('kinehardening')
-  Ninstances = count(myPlasticity)
+  if(count(myPlasticity) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:kinehardening init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
 
-  allocate(param(Ninstances))
-  allocate(state(Ninstances))
-  allocate(dotState(Ninstances))
-  allocate(deltaState(Ninstances))
 
   phases => config_material%get('phase')
-  i = 0
+  allocate(param(phases%length))
-  do p = 1, phases%length
+  allocate(state(phases%length))
-    phase => phases%get(p)
+  allocate(dotState(phases%length))
+  allocate(deltaState(phases%length))
+
+
+  do ph = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
+
+    associate(prm => param(ph), dot => dotState(ph), dlt => deltaState(ph), stt => state(ph))
+
+    phase => phases%get(ph)
     mech  => phase%get('mechanics')
-    if(.not. myPlasticity(p)) cycle
-    i = i + 1
-    associate(prm => param(i), &
-              dot => dotState(i), &
-              dlt => deltaState(i), &
-              stt => state(i))
     pl  => mech%get('plasticity')
 
 #if defined (__GFORTRAN__)
@@ -111,12 +107,6 @@ module function plastic_kinehardening_init() result(myPlasticity)
     prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
 #endif
 
-#ifdef DEBUG
-    if  (p==material_phaseAt(debugConstitutive%grain,debugConstitutive%element)) then
-      prm%of_debug = material_phasememberAt(debugConstitutive%grain,debugConstitutive%ip,debugConstitutive%element)
-    endif
-#endif
-
 !--------------------------------------------------------------------------------------------------
 ! slip related parameters
     N_sl         = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
@@ -175,55 +165,55 @@ module function plastic_kinehardening_init() result(myPlasticity)
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
-    Nconstituents = count(material_phaseAt2 == p)
+    Nconstituents = count(material_phaseAt2 == ph)
-    sizeDotState   = size(['crss     ','crss_back', 'accshear ']) * prm%sum_N_sl!ToDo: adjust names, ask Philip
+    sizeDotState   = size(['crss     ','crss_back', 'accshear ']) * prm%sum_N_sl !ToDo: adjust names like in material.yaml
-    sizeDeltaState = size(['sense ',   'chi0  ',    'gamma0'   ]) * prm%sum_N_sl !ToDo: adjust names
+    sizeDeltaState = size(['sense ',   'chi0  ',    'gamma0'   ]) * prm%sum_N_sl !ToDo: adjust names like in material.yaml
     sizeState = sizeDotState + sizeDeltaState
 
-    call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
+    call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
 
 !--------------------------------------------------------------------------------------------------
 ! state aliases and initialization
     startIndex = 1
     endIndex   = prm%sum_N_sl
-    stt%crss => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%crss => plasticState(ph)%state   (startIndex:endIndex,:)
     stt%crss = spread(xi_0, 2, Nconstituents)
-    dot%crss => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%crss => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
-    if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
+    if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%crss_back => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%crss_back => plasticState(ph)%state   (startIndex:endIndex,:)
-    dot%crss_back => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%crss_back => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%accshear => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%accshear => plasticState(ph)%state   (startIndex:endIndex,:)
-    dot%accshear => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%accshear => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
-    if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
+    if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
     ! global alias
-    plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
+    plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
 
-    o = plasticState(p)%offsetDeltaState
+    o = plasticState(ph)%offsetDeltaState
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%sense => plasticState(p)%state     (startIndex  :endIndex  ,:)
+    stt%sense => plasticState(ph)%state     (startIndex  :endIndex  ,:)
-    dlt%sense => plasticState(p)%deltaState(startIndex-o:endIndex-o,:)
+    dlt%sense => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
 
     startIndex = endIndex + 1
     endIndex   = endIndex +  prm%sum_N_sl
-    stt%chi0 => plasticState(p)%state     (startIndex  :endIndex  ,:)
+    stt%chi0 => plasticState(ph)%state     (startIndex  :endIndex  ,:)
-    dlt%chi0 => plasticState(p)%deltaState(startIndex-o:endIndex-o,:)
+    dlt%chi0 => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
 
     startIndex = endIndex + 1
     endIndex   = endIndex +  prm%sum_N_sl
-    stt%gamma0 => plasticState(p)%state     (startIndex  :endIndex  ,:)
+    stt%gamma0 => plasticState(ph)%state     (startIndex  :endIndex  ,:)
-    dlt%gamma0 => plasticState(p)%deltaState(startIndex-o:endIndex-o,:)
+    dlt%gamma0 => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
 
-    plasticState(p)%state0 = plasticState(p)%state                                                  ! ToDo: this could be done centrally
+    plasticState(ph)%state0 = plasticState(ph)%state                                                  ! ToDo: this could be done centrally
 
     end associate
 
@@ -255,16 +245,16 @@ pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
 
   integer :: &
     i,k,l,m,n
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     gdot_pos,gdot_neg, &
     dgdot_dtau_pos,dgdot_dtau_neg
 
   Lp = 0.0_pReal
   dLp_dMp = 0.0_pReal
 
-  associate(prm => param(phase_plasticityInstance(ph)))
+  associate(prm => param(ph))
 
-  call kinetics(Mp,phase_plasticityInstance(ph),me,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
+  call kinetics(Mp,ph,me,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
 
   do i = 1, prm%sum_N_sl
     Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%P(1:3,1:3,i)
@@ -292,14 +282,14 @@ module subroutine plastic_kinehardening_dotState(Mp,ph,me)
 
   real(pReal) :: &
     sumGamma
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     gdot_pos,gdot_neg
 
 
-  associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)),&
+  associate(prm => param(ph), stt => state(ph),&
-            dot => dotState(phase_plasticityInstance(ph)))
+            dot => dotState(ph))
 
-  call kinetics(Mp,phase_plasticityInstance(ph),me,gdot_pos,gdot_neg)
+  call kinetics(Mp,ph,me,gdot_pos,gdot_neg)
   dot%accshear(:,me) = abs(gdot_pos+gdot_neg)
   sumGamma = sum(stt%accshear(:,me))
 
@@ -325,32 +315,25 @@ end subroutine plastic_kinehardening_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief Calculate (instantaneous) incremental change of microstructure.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_kinehardening_deltaState(Mp,instance,me)
+module subroutine plastic_kinehardening_deltaState(Mp,ph,me)
 
   real(pReal), dimension(3,3),  intent(in) :: &
     Mp                                                                                              !< Mandel stress
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     gdot_pos,gdot_neg, &
     sense
 
-  associate(prm => param(instance), stt => state(instance), dlt => deltaState(instance))
+  associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph))
 
-  call kinetics(Mp,instance,me,gdot_pos,gdot_neg)
+  call kinetics(Mp,ph,me,gdot_pos,gdot_neg)
-  sense = merge(state(instance)%sense(:,me), &                                                      ! keep existing...
+  sense = merge(state(ph)%sense(:,me), &                                                            ! keep existing...
                 sign(1.0_pReal,gdot_pos+gdot_neg), &                                                ! ...or have a defined
                 dEq0(gdot_pos+gdot_neg,1e-10_pReal))                                                ! current sense of shear direction
 
-#ifdef DEBUG
-  if (debugConstitutive%extensive &
-             .and. (me == prm%of_debug  .or. .not. debugConstitutive%selective)) then
-    print*, '======= kinehardening delta state ======='
-    print*, sense,state(instance)%sense(:,me)
-  endif
-#endif
 
 !--------------------------------------------------------------------------------------------------
 ! switch in sense me shear?
@@ -372,14 +355,14 @@ end subroutine plastic_kinehardening_deltaState
 !--------------------------------------------------------------------------------------------------
 !> @brief Write results to HDF5 output file.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_kinehardening_results(instance,group)
+module subroutine plastic_kinehardening_results(ph,group)
 
-  integer,          intent(in) :: instance
+  integer,          intent(in) :: ph
   character(len=*), intent(in) :: group
 
   integer :: o
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
   outputsLoop: do o = 1,size(prm%output)
     select case(trim(prm%output(o)))
      case('xi')
@@ -414,28 +397,28 @@ end subroutine plastic_kinehardening_results
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end.
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics(Mp,instance,me, &
+pure subroutine kinetics(Mp,ph,me, &
                          gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
 
   real(pReal), dimension(3,3),  intent(in) :: &
     Mp                                                                                              !< Mandel stress
   integer,                intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal),                  intent(out), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal),                  intent(out), dimension(param(ph)%sum_N_sl) :: &
     gdot_pos, &
     gdot_neg
-  real(pReal),                  intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
+  real(pReal),                  intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
     dgdot_dtau_pos, &
     dgdot_dtau_neg
 
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau_pos, &
     tau_neg
   integer :: i
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
 
   do i = 1, prm%sum_N_sl
     tau_pos(i) =       math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - stt%crss_back(i,me)

src/phase_mechanical_plastic_none.f90

@@ -16,35 +16,21 @@ module function plastic_none_init() result(myPlasticity)
 
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
-    Ninstances, &
+    ph
-    p, &
-    Nconstituents
   class(tNode), pointer :: &
-    phases, &
+    phases
-    phase, &
-    mech, &
-    pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:none init  -+>>>'
+
+  myPlasticity = plastic_active('none')
+  if(count(myPlasticity) == 0) return
+
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:none init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
 
   phases => config_material%get('phase')
-  allocate(myPlasticity(phases%length), source = .false.)
+  do ph = 1, phases%length
-  do p = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
-    phase => phases%get(p)
+    call phase_allocateState(plasticState(ph),count(material_phaseAt2 == ph),0,0,0)
-    mech  => phase%get('mechanics')
-    pl    => mech%get ('plasticity')
-    if(pl%get_asString('type') == 'none') myPlasticity(p) = .true.
-  enddo
-
-  Ninstances = count(myPlasticity)
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
-  if(Ninstances == 0) return
-
-  do p = 1, phases%length
-    phase => phases%get(p)
-    if(.not. myPlasticity(p)) cycle
-    Nconstituents = count(material_phaseAt2 == p)
-    call constitutive_allocateState(plasticState(p),Nconstituents,0,0,0)
   enddo
 
 end function plastic_none_init

src/phase_mechanical_plastic_nonlocal.f90

@@ -13,6 +13,12 @@ submodule(phase:plastic) nonlocal
     IPareaNormal    => geometry_plastic_nonlocal_IPareaNormal0, &
     geometry_plastic_nonlocal_disable
 
+  type :: tGeometry
+    real(pReal), dimension(:), allocatable :: V_0
+  end type tGeometry
+
+  type(tGeometry), dimension(:), allocatable :: geom
+
   real(pReal), parameter :: &
     kB = 1.38e-23_pReal                                                                             !< Boltzmann constant in J/Kelvin
 
@@ -154,7 +160,7 @@ submodule(phase:plastic) nonlocal
     state, &
     state0
 
-  type(tParameters), dimension(:), allocatable :: param                                             !< containers of constitutive parameters (len Ninstances)
+  type(tParameters), dimension(:), allocatable :: param                                             !< containers of constitutive parameters
 
   type(tNonlocalMicrostructure), dimension(:), allocatable :: microstructure
 
@@ -170,7 +176,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
     Ninstances, &
-    p, i, &
+    ph, &
     Nconstituents, &
     sizeState, sizeDotState, sizeDependentState, sizeDeltaState, &
     s1, s2, &
@@ -187,45 +193,44 @@ module function plastic_nonlocal_init() result(myPlasticity)
     mech, &
     pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:nonlocal init  -+>>>'
-
   myPlasticity = plastic_active('nonlocal')
   Ninstances = count(myPlasticity)
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
   if(Ninstances == 0) then
     call geometry_plastic_nonlocal_disable
     return
   endif
 
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:nonlocal init  -+>>>'
+  print'(a,i0)', ' # phases: ',Ninstances; flush(IO_STDOUT)
+
   print*, 'Reuber et al., Acta Materialia 71:333–348, 2014'
   print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
 
   print*, 'Kords, Dissertation RWTH Aachen, 2014'
   print*, 'http://publications.rwth-aachen.de/record/229993'
 
-  allocate(param(Ninstances))
-  allocate(state(Ninstances))
-  allocate(state0(Ninstances))
-  allocate(dotState(Ninstances))
-  allocate(deltaState(Ninstances))
-  allocate(microstructure(Ninstances))
 
   phases => config_material%get('phase')
-  i = 0
+  allocate(geom(phases%length))
-  do p = 1, phases%length
+
-    phase => phases%get(p)
+  allocate(param(phases%length))
+  allocate(state(phases%length))
+  allocate(state0(phases%length))
+  allocate(dotState(phases%length))
+  allocate(deltaState(phases%length))
+  allocate(microstructure(phases%length))
+
+  do ph = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
+
+    associate(prm => param(ph),  dot => dotState(ph),   stt => state(ph), &
+              st0 => state0(ph), del => deltaState(ph), dst => microstructure(ph))
+
+    phase => phases%get(ph)
     mech  => phase%get('mechanics')
-    if(.not. myPlasticity(p)) cycle
-    i = i + 1
-    associate(prm => param(i), &
-              dot => dotState(i), &
-              stt => state(i), &
-              st0 => state0(i), &
-              del => deltaState(i), &
-              dst => microstructure(i))
     pl  => mech%get('plasticity')
 
-    phase_localPlasticity(p)    = .not. pl%contains('nonlocal')
+    phase_localPlasticity(ph) = .not. pl%contains('nonlocal')
 
 #if defined (__GFORTRAN__)
     prm%output = output_asStrings(pl)
@@ -236,8 +241,8 @@ module function plastic_nonlocal_init() result(myPlasticity)
     prm%atol_rho   = pl%get_asFloat('atol_rho',defaultVal=1.0e4_pReal)
 
     ! This data is read in already in lattice
-    prm%mu = lattice_mu(p)
+    prm%mu = lattice_mu(ph)
-    prm%nu = lattice_nu(p)
+    prm%nu = lattice_nu(ph)
 
     ini%N_sl     = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
     prm%sum_N_sl = sum(abs(ini%N_sl))
@@ -393,7 +398,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
-    Nconstituents  = count(material_phaseAt2 == p)
+    Nconstituents  = count(material_phaseAt2 == ph)
     sizeDotState = size([   'rhoSglEdgePosMobile   ','rhoSglEdgeNegMobile   ', &
                             'rhoSglScrewPosMobile  ','rhoSglScrewNegMobile  ', &
                             'rhoSglEdgePosImmobile ','rhoSglEdgeNegImmobile ', &
@@ -407,98 +412,101 @@ module function plastic_nonlocal_init() result(myPlasticity)
                                 'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl     !< other dependent state variables that are not updated by microstructure
     sizeDeltaState            = sizeDotState
 
-    call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
+    call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
 
-    plasticState(p)%nonlocal         = pl%get_asBool('nonlocal')
+    allocate(geom(ph)%V_0(Nconstituents))
-    if(plasticState(p)%nonlocal .and. .not. allocated(IPneighborhood)) &
+    call storeGeometry(ph)
+
+    plasticState(ph)%nonlocal         = pl%get_asBool('nonlocal')
+    if(plasticState(ph)%nonlocal .and. .not. allocated(IPneighborhood)) &
       call IO_error(212,ext_msg='IPneighborhood does not exist')
 
 
-    plasticState(p)%offsetDeltaState = 0                                                            ! ToDo: state structure does not follow convention
+    plasticState(ph)%offsetDeltaState = 0                                                            ! ToDo: state structure does not follow convention
 
-    st0%rho => plasticState(p)%state0                             (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+    st0%rho => plasticState(ph)%state0                             (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-    stt%rho => plasticState(p)%state                              (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+    stt%rho => plasticState(ph)%state                              (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-    dot%rho => plasticState(p)%dotState                           (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+    dot%rho => plasticState(ph)%dotState                           (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-    del%rho => plasticState(p)%deltaState                         (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+    del%rho => plasticState(ph)%deltaState                         (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-    plasticState(p)%atol(1:10*prm%sum_N_sl) = prm%atol_rho
+    plasticState(ph)%atol(1:10*prm%sum_N_sl) = prm%atol_rho
 
-      stt%rhoSgl => plasticState(p)%state                         (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+      stt%rhoSgl => plasticState(ph)%state                         (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
-      dot%rhoSgl => plasticState(p)%dotState                      (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+      dot%rhoSgl => plasticState(ph)%dotState                      (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
-      del%rhoSgl => plasticState(p)%deltaState                    (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+      del%rhoSgl => plasticState(ph)%deltaState                    (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
 
-        stt%rhoSglMobile => plasticState(p)%state                 (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
+        stt%rhoSglMobile => plasticState(ph)%state                 (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
-        dot%rhoSglMobile => plasticState(p)%dotState              (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
+        dot%rhoSglMobile => plasticState(ph)%dotState              (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
-        del%rhoSglMobile => plasticState(p)%deltaState            (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
+        del%rhoSglMobile => plasticState(ph)%deltaState            (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
 
-            stt%rho_sgl_mob_edg_pos => plasticState(p)%state      (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
+            stt%rho_sgl_mob_edg_pos => plasticState(ph)%state      (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
-            dot%rho_sgl_mob_edg_pos => plasticState(p)%dotState   (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
+            dot%rho_sgl_mob_edg_pos => plasticState(ph)%dotState   (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
-            del%rho_sgl_mob_edg_pos => plasticState(p)%deltaState (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
+            del%rho_sgl_mob_edg_pos => plasticState(ph)%deltaState (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
 
-            stt%rho_sgl_mob_edg_neg => plasticState(p)%state      (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
+            stt%rho_sgl_mob_edg_neg => plasticState(ph)%state      (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
-            dot%rho_sgl_mob_edg_neg => plasticState(p)%dotState   (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
+            dot%rho_sgl_mob_edg_neg => plasticState(ph)%dotState   (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
-            del%rho_sgl_mob_edg_neg => plasticState(p)%deltaState (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
+            del%rho_sgl_mob_edg_neg => plasticState(ph)%deltaState (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
 
-            stt%rho_sgl_mob_scr_pos => plasticState(p)%state      (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
+            stt%rho_sgl_mob_scr_pos => plasticState(ph)%state      (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
-            dot%rho_sgl_mob_scr_pos => plasticState(p)%dotState   (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
+            dot%rho_sgl_mob_scr_pos => plasticState(ph)%dotState   (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
-            del%rho_sgl_mob_scr_pos => plasticState(p)%deltaState (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
+            del%rho_sgl_mob_scr_pos => plasticState(ph)%deltaState (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
 
-            stt%rho_sgl_mob_scr_neg => plasticState(p)%state      (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
+            stt%rho_sgl_mob_scr_neg => plasticState(ph)%state      (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
-            dot%rho_sgl_mob_scr_neg => plasticState(p)%dotState   (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
+            dot%rho_sgl_mob_scr_neg => plasticState(ph)%dotState   (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
-            del%rho_sgl_mob_scr_neg => plasticState(p)%deltaState (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
+            del%rho_sgl_mob_scr_neg => plasticState(ph)%deltaState (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
 
-        stt%rhoSglImmobile => plasticState(p)%state               (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+        stt%rhoSglImmobile => plasticState(ph)%state               (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
-        dot%rhoSglImmobile => plasticState(p)%dotState            (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+        dot%rhoSglImmobile => plasticState(ph)%dotState            (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
-        del%rhoSglImmobile => plasticState(p)%deltaState          (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+        del%rhoSglImmobile => plasticState(ph)%deltaState          (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
 
-            stt%rho_sgl_imm_edg_pos => plasticState(p)%state      (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
+            stt%rho_sgl_imm_edg_pos => plasticState(ph)%state      (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
-            dot%rho_sgl_imm_edg_pos => plasticState(p)%dotState   (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
+            dot%rho_sgl_imm_edg_pos => plasticState(ph)%dotState   (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
-            del%rho_sgl_imm_edg_pos => plasticState(p)%deltaState (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
+            del%rho_sgl_imm_edg_pos => plasticState(ph)%deltaState (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
 
-            stt%rho_sgl_imm_edg_neg => plasticState(p)%state      (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
+            stt%rho_sgl_imm_edg_neg => plasticState(ph)%state      (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
-            dot%rho_sgl_imm_edg_neg => plasticState(p)%dotState   (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
+            dot%rho_sgl_imm_edg_neg => plasticState(ph)%dotState   (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
-            del%rho_sgl_imm_edg_neg => plasticState(p)%deltaState (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
+            del%rho_sgl_imm_edg_neg => plasticState(ph)%deltaState (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
 
-            stt%rho_sgl_imm_scr_pos => plasticState(p)%state      (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
+            stt%rho_sgl_imm_scr_pos => plasticState(ph)%state      (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
-            dot%rho_sgl_imm_scr_pos => plasticState(p)%dotState   (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
+            dot%rho_sgl_imm_scr_pos => plasticState(ph)%dotState   (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
-            del%rho_sgl_imm_scr_pos => plasticState(p)%deltaState (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
+            del%rho_sgl_imm_scr_pos => plasticState(ph)%deltaState (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
 
-            stt%rho_sgl_imm_scr_neg => plasticState(p)%state      (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+            stt%rho_sgl_imm_scr_neg => plasticState(ph)%state      (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
-            dot%rho_sgl_imm_scr_neg => plasticState(p)%dotState   (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+            dot%rho_sgl_imm_scr_neg => plasticState(ph)%dotState   (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
-            del%rho_sgl_imm_scr_neg => plasticState(p)%deltaState (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
+            del%rho_sgl_imm_scr_neg => plasticState(ph)%deltaState (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
 
-      stt%rhoDip => plasticState(p)%state                         (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+      stt%rhoDip => plasticState(ph)%state                         (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-      dot%rhoDip => plasticState(p)%dotState                      (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+      dot%rhoDip => plasticState(ph)%dotState                      (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-      del%rhoDip => plasticState(p)%deltaState                    (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+      del%rhoDip => plasticState(ph)%deltaState                    (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
 
-        stt%rho_dip_edg => plasticState(p)%state                  (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
+        stt%rho_dip_edg => plasticState(ph)%state                  (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
-        dot%rho_dip_edg => plasticState(p)%dotState               (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
+        dot%rho_dip_edg => plasticState(ph)%dotState               (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
-        del%rho_dip_edg => plasticState(p)%deltaState             (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
+        del%rho_dip_edg => plasticState(ph)%deltaState             (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
 
-        stt%rho_dip_scr => plasticState(p)%state                  (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+        stt%rho_dip_scr => plasticState(ph)%state                  (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-        dot%rho_dip_scr => plasticState(p)%dotState               (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+        dot%rho_dip_scr => plasticState(ph)%dotState               (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
-        del%rho_dip_scr => plasticState(p)%deltaState             (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
+        del%rho_dip_scr => plasticState(ph)%deltaState             (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
 
-    stt%gamma => plasticState(p)%state                      (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
+    stt%gamma => plasticState(ph)%state                      (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
-    dot%gamma => plasticState(p)%dotState                   (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
+    dot%gamma => plasticState(ph)%dotState                   (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
-    del%gamma => plasticState(p)%deltaState                 (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
+    del%gamma => plasticState(ph)%deltaState                 (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
-    plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl )  = pl%get_asFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
+    plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl )  = pl%get_asFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
-    if(any(plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pReal)) &
+    if(any(plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pReal)) &
       extmsg = trim(extmsg)//' atol_gamma'
-    plasticState(p)%slipRate => plasticState(p)%dotState    (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
+    plasticState(ph)%slipRate => plasticState(ph)%dotState    (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
 
-    stt%rho_forest => plasticState(p)%state                 (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nconstituents)
+    stt%rho_forest => plasticState(ph)%state                 (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nconstituents)
-    stt%v          => plasticState(p)%state                 (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
+    stt%v          => plasticState(ph)%state                 (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
-        stt%v_edg_pos  => plasticState(p)%state             (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nconstituents)
+        stt%v_edg_pos  => plasticState(ph)%state             (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nconstituents)
-        stt%v_edg_neg  => plasticState(p)%state             (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nconstituents)
+        stt%v_edg_neg  => plasticState(ph)%state             (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nconstituents)
-        stt%v_scr_pos  => plasticState(p)%state             (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nconstituents)
+        stt%v_scr_pos  => plasticState(ph)%state             (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nconstituents)
-        stt%v_scr_neg  => plasticState(p)%state             (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
+        stt%v_scr_neg  => plasticState(ph)%state             (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
 
     allocate(dst%tau_pass(prm%sum_N_sl,Nconstituents),source=0.0_pReal)
     allocate(dst%tau_back(prm%sum_N_sl,Nconstituents),source=0.0_pReal)
     end associate
 
-    if (Nconstituents > 0) call stateInit(ini,p,Nconstituents,i)
+    if (Nconstituents > 0) call stateInit(ini,ph,Nconstituents)
-    plasticState(p)%state0 = plasticState(p)%state
+    plasticState(ph)%state0 = plasticState(ph)%state
 
 !--------------------------------------------------------------------------------------------------
 !  exit if any parameter is out of range
@@ -510,40 +518,38 @@ module function plastic_nonlocal_init() result(myPlasticity)
                          discretization_nIPs,discretization_Nelems), source=0.0_pReal)
 
 ! BEGIN DEPRECATED----------------------------------------------------------------------------------
-  allocate(iRhoU(maxval(param%sum_N_sl),4,Ninstances), source=0)
+  allocate(iRhoU(maxval(param%sum_N_sl),4,phases%length), source=0)
-  allocate(iV(maxval(param%sum_N_sl),4,Ninstances),    source=0)
+  allocate(iV(maxval(param%sum_N_sl),4,phases%length),    source=0)
-  allocate(iD(maxval(param%sum_N_sl),2,Ninstances),    source=0)
+  allocate(iD(maxval(param%sum_N_sl),2,phases%length),    source=0)
 
-  i = 0
+  do ph = 1, phases%length
-  do p = 1, phases%length
-    phase => phases%get(p)
 
-    if(.not. myPlasticity(p)) cycle
+    if(.not. myPlasticity(ph)) cycle
-    i = i + 1
 
-    Nconstituents  = count(material_phaseAt==p) * discretization_nIPs
+    phase => phases%get(ph)
+    Nconstituents = count(material_phaseAt2 == ph)
     l = 0
     do t = 1,4
-      do s = 1,param(i)%sum_N_sl
+      do s = 1,param(ph)%sum_N_sl
         l = l + 1
-        iRhoU(s,t,i) = l
+        iRhoU(s,t,ph) = l
       enddo
     enddo
-    l = l + (4+2+1+1)*param(i)%sum_N_sl ! immobile(4), dipole(2), shear, forest
+    l = l + (4+2+1+1)*param(ph)%sum_N_sl ! immobile(4), dipole(2), shear, forest
     do t = 1,4
-      do s = 1,param(i)%sum_N_sl
+      do s = 1,param(ph)%sum_N_sl
         l = l + 1
-        iV(s,t,i) = l
+        iV(s,t,ph) = l
       enddo
     enddo
     do t = 1,2
-      do s = 1,param(i)%sum_N_sl
+      do s = 1,param(ph)%sum_N_sl
         l = l + 1
-        iD(s,t,i) = l
+        iD(s,t,ph) = l
       enddo
     enddo
-    if (iD(param(i)%sum_N_sl,2,i) /= plasticState(p)%sizeState) &
+    if (iD(param(ph)%sum_N_sl,2,ph) /= plasticState(ph)%sizeState) &
-      call IO_error(0, ext_msg = 'state indices not properly set (nonlocal)')
+      error stop 'state indices not properly set (nonlocal)'
   enddo
 
 end function plastic_nonlocal_init
@@ -552,20 +558,18 @@ end function plastic_nonlocal_init
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates quantities characterizing the microstructure
 !--------------------------------------------------------------------------------------------------
-module subroutine nonlocal_dependentState(instance, me, ip, el)
+module subroutine nonlocal_dependentState(ph, me, ip, el)
 
   integer, intent(in) :: &
-    instance, &
+    ph, &
     me, &
     ip, &
     el
 
   integer :: &
-    ph, &
     no, &                                                                                           !< neighbor offset
     neighbor_el, &                                                                                  ! element number of neighboring material point
     neighbor_ip, &                                                                                  ! integration point of neighboring material point
-    neighbor_instance, &                                                                            ! instance of this plasticity of neighboring material point
     c, &                                                                                            ! index of dilsocation character (edge, screw)
     s, &                                                                                            ! slip system index
     dir, &
@@ -589,29 +593,29 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
     invConnections
   real(pReal), dimension(3,nIPneighbors) :: &
     connection_latticeConf
-  real(pReal), dimension(2,param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(2,param(ph)%sum_N_sl) :: &
     rhoExcess
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     rho_edg_delta, &
     rho_scr_delta
-  real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
     rho, &
     rho0, &
     rho_neighbor0
-  real(pReal), dimension(param(instance)%sum_N_sl,param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,param(ph)%sum_N_sl) :: &
     myInteractionMatrix                                                                             ! corrected slip interaction matrix
-  real(pReal), dimension(param(instance)%sum_N_sl,nIPneighbors) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,nIPneighbors) :: &
     rho_edg_delta_neighbor, &
     rho_scr_delta_neighbor
   real(pReal), dimension(2,maxval(param%sum_N_sl),nIPneighbors) :: &
     neighbor_rhoExcess, &                                                                           ! excess density at neighboring material point
     neighbor_rhoTotal                                                                               ! total density at neighboring material point
-  real(pReal), dimension(3,param(instance)%sum_N_sl,2) :: &
+  real(pReal), dimension(3,param(ph)%sum_N_sl,2) :: &
     m                                                                                               ! direction of dislocation motion
 
-  associate(prm => param(instance),dst => microstructure(instance), stt => state(instance))
+  associate(prm => param(ph),dst => microstructure(ph), stt => state(ph))
 
-  rho = getRho(instance,me,ip,el)
+  rho = getRho(ph,me)
 
   stt%rho_forest(:,me) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
                        + matmul(prm%forestProjection_Screw,sum(abs(rho(:,scr)),2))
@@ -639,11 +643,10 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
   ! ToDo: MD: this is most likely only correct for F_i = I
   !#################################################################################################
 
-  rho0 = getRho0(instance,me,ip,el)
+  rho0 = getRho0(ph,me)
   if (.not. phase_localPlasticity(material_phaseAt(1,el)) .and. prm%shortRangeStressCorrection) then
-    ph = material_phaseAt(1,el)
+    invFp = math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,me))
-    invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
+    invFe = math_inv33(phase_mechanical_Fe(ph)%data(1:3,1:3,me))
-    invFe = math_inv33(constitutive_mech_Fe(ph)%data(1:3,1:3,me))
 
     rho_edg_delta = rho0(:,mob_edg_pos) - rho0(:,mob_edg_neg)
     rho_scr_delta = rho0(:,mob_scr_pos) - rho0(:,mob_scr_neg)
@@ -651,7 +654,7 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
     rhoExcess(1,:) = rho_edg_delta
     rhoExcess(2,:) = rho_scr_delta
 
-    FVsize = IPvolume(ip,el) ** (1.0_pReal/3.0_pReal)
+    FVsize = geom(ph)%V_0(me) ** (1.0_pReal/3.0_pReal)
 
     !* loop through my neighborhood and get the connection vectors (in lattice frame) and the excess densities
 
@@ -662,11 +665,10 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
       neighbor_ip = IPneighborhood(2,n,ip,el)
       no = material_phasememberAt(1,neighbor_ip,neighbor_el)
       if (neighbor_el > 0 .and. neighbor_ip > 0) then
-        neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
+        if (material_phaseAt(1,neighbor_el) == ph) then
-        if (neighbor_instance == instance) then
 
             nRealNeighbors = nRealNeighbors + 1.0_pReal
-            rho_neighbor0 = getRho0(instance,no,neighbor_ip,neighbor_el)
+            rho_neighbor0 = getRho0(ph,no)
 
             rho_edg_delta_neighbor(:,n) = rho_neighbor0(:,mob_edg_pos) - rho_neighbor0(:,mob_edg_neg)
             rho_scr_delta_neighbor(:,n) = rho_neighbor0(:,mob_scr_pos) - rho_neighbor0(:,mob_scr_neg)
@@ -758,16 +760,14 @@ end subroutine nonlocal_dependentState
 !> @brief calculates plastic velocity gradient and its tangent
 !--------------------------------------------------------------------------------------------------
 module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
-                                                   Mp,Temperature,ph,me,ip,el)
+                                                   Mp,Temperature,ph,me)
   real(pReal), dimension(3,3), intent(out) :: &
     Lp                                                                                              !< plastic velocity gradient
   real(pReal), dimension(3,3,3,3), intent(out) :: &
     dLp_dMp
   integer, intent(in) :: &
     ph, &
-    me, &
+    me
-    ip, &                                                                                           !< current integration point
-    el                                                                                              !< current element number
   real(pReal), intent(in) :: &
     Temperature                                                                                     !< temperature
 
@@ -782,25 +782,25 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
     l, &
     t, &                                                                                            !< dislocation type
     s                                                                                               !< index of my current slip system
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,8) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,8) :: &
     rhoSgl                                                                                          !< single dislocation densities (including blocked)
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,10) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
     rho
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,4) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
     v, &                                                                                            !< velocity
     tauNS, &                                                                                        !< resolved shear stress including non Schmid and backstress terms
     dv_dtau, &                                                                                      !< velocity derivative with respect to the shear stress
     dv_dtauNS                                                                                       !< velocity derivative with respect to the shear stress
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau, &                                                                                          !< resolved shear stress including backstress terms
     gdotTotal                                                                                       !< shear rate
 
-  associate(prm => param(phase_plasticityInstance(ph)),dst=>microstructure(phase_plasticityInstance(ph)),&
+  associate(prm => param(ph),dst=>microstructure(ph),&
-  stt=>state(phase_plasticityInstance(ph)))
+  stt=>state(ph))
   ns = prm%sum_N_sl
 
   !*** shortcut to state variables
-  rho = getRho(phase_plasticityInstance(ph),me,ip,el)
+  rho = getRho(ph,me)
   rhoSgl = rho(:,sgl)
 
   do s = 1,ns
@@ -820,7 +820,7 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
 
   ! edges
   call kinetics(v(:,1), dv_dtau(:,1), dv_dtauNS(:,1), &
-                tau, tauNS(:,1), dst%tau_pass(:,me),1,Temperature, phase_plasticityInstance(ph))
+                tau, tauNS(:,1), dst%tau_pass(:,me),1,Temperature, ph)
   v(:,2)         = v(:,1)
   dv_dtau(:,2)   = dv_dtau(:,1)
   dv_dtauNS(:,2) = dv_dtauNS(:,1)
@@ -833,7 +833,7 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
   else
     do t = 3,4
       call kinetics(v(:,t), dv_dtau(:,t), dv_dtauNS(:,t), &
-                    tau, tauNS(:,t), dst%tau_pass(:,me),2,Temperature, phase_plasticityInstance(ph))
+                    tau, tauNS(:,t), dst%tau_pass(:,me),2,Temperature, ph)
     enddo
   endif
 
@@ -866,47 +866,42 @@ end subroutine nonlocal_LpAndItsTangent
 !--------------------------------------------------------------------------------------------------
 !> @brief (instantaneous) incremental change of microstructure
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
+module subroutine plastic_nonlocal_deltaState(Mp,ph,me)
 
   real(pReal), dimension(3,3), intent(in) :: &
     Mp                                                                                              !< MandelStress
   integer, intent(in) :: &
-    instance, &                                                                                     ! current instance of this plasticity
+    ph, &
-    me, &                                                                                           !< offset
+    me
-    ip, &
-    el
 
   integer :: &
-    ph, &                                                                                           !< phase
     ns, &                                                                                           ! short notation for the total number of active slip systems
     c, &                                                                                            ! character of dislocation
     t, &                                                                                            ! type of dislocation
     s                                                                                               ! index of my current slip system
-  real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
     deltaRhoRemobilization, &                                                                       ! density increment by remobilization
     deltaRhoDipole2SingleStress                                                                     ! density increment by dipole dissociation (by stress change)
-  real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
     rho                                                                                             ! current  dislocation densities
-  real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
     v                                                                                               ! dislocation glide velocity
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau                                                                                             ! current resolved shear stress
-  real(pReal), dimension(param(instance)%sum_N_sl,2) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,2) :: &
     rhoDip, &                                                                                       ! current dipole dislocation densities (screw and edge dipoles)
     dUpper, &                                                                                       ! current maximum stable dipole distance for edges and screws
     dUpperOld, &                                                                                    ! old maximum stable dipole distance for edges and screws
     deltaDUpper                                                                                     ! change in maximum stable dipole distance for edges and screws
 
-   ph = material_phaseAt(1,el)
+  associate(prm => param(ph),dst => microstructure(ph),del => deltaState(ph))
-
+  ns = prm%sum_N_sl
-   associate(prm => param(instance),dst => microstructure(instance),del => deltaState(instance))
-   ns = prm%sum_N_sl
 
   !*** shortcut to state variables
-  forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me)
+  forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),me)
-  forall (s = 1:ns, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,instance),me)
+  forall (s = 1:ns, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,ph),me)
 
-  rho =  getRho(instance,me,ip,el)
+  rho =  getRho(ph,me)
   rhoDip = rho(:,dip)
 
   !****************************************************************************
@@ -951,20 +946,11 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
                                        / (dUpperOld(s,c) - prm%minDipoleHeight(s,c))
 
   forall (t=1:4) deltaRhoDipole2SingleStress(:,t) = -0.5_pReal * deltaRhoDipole2SingleStress(:,(t-1)/2+9)
-  forall (s = 1:ns, c = 1:2) plasticState(ph)%state(iD(s,c,instance),me) = dUpper(s,c)
+  forall (s = 1:ns, c = 1:2) plasticState(ph)%state(iD(s,c,ph),me) = dUpper(s,c)
 
   plasticState(ph)%deltaState(:,me) = 0.0_pReal
   del%rho(:,me) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*ns])
 
-#ifdef DEBUG
-  if (debugConstitutive%extensive &
-      .and. ((debugConstitutive%element == el .and. debugConstitutive%ip == ip)&
-             .or. .not. debugConstitutive%selective)) then
-    print'(a,/,8(12x,12(e12.5,1x),/))',    '<< CONST >> dislocation remobilization', deltaRhoRemobilization(:,1:8)
-    print'(a,/,10(12x,12(e12.5,1x),/),/)', '<< CONST >> dipole dissociation by stress increase', deltaRhoDipole2SingleStress
-  endif
-#endif
-
   end associate
 
 end subroutine plastic_nonlocal_deltaState
@@ -992,7 +978,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
     c, &                                                                                            !< character of dislocation
     t, &                                                                                            !< type of dislocation
     s                                                                                               !< index of my current slip system
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,10) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
     rho, &
     rho0, &                                                                                         !< dislocation density at beginning of time step
     rhoDot, &                                                                                       !< density evolution
@@ -1000,17 +986,17 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
     rhoDotSingle2DipoleGlide, &                                                                     !< density evolution by dipole formation (by glide)
     rhoDotAthermalAnnihilation, &                                                                   !< density evolution by athermal annihilation
     rhoDotThermalAnnihilation                                                                       !< density evolution by thermal annihilation
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,8) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,8) :: &
     rhoSgl, &                                                                                       !< current single dislocation densities (positive/negative screw and edge without dipoles)
     my_rhoSgl0                                                                                      !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,4) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
     v, &                                                                                            !< current dislocation glide velocity
     v0, &
     gdot                                                                                            !< shear rates
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau, &                                                                                          !< current resolved shear stress
     vClimb                                                                                          !< climb velocity of edge dipoles
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,2) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,2) :: &
     rhoDip, &                                                                                       !< current dipole dislocation densities (screw and edge dipoles)
     dLower, &                                                                                       !< minimum stable dipole distance for edges and screws
     dUpper                                                                                          !< current maximum stable dipole distance for edges and screws
@@ -1022,22 +1008,22 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
     return
   endif
 
-  associate(prm => param(phase_plasticityInstance(ph)), &
+  associate(prm => param(ph), &
-            dst => microstructure(phase_plasticityInstance(ph)), &
+            dst => microstructure(ph), &
-            dot => dotState(phase_plasticityInstance(ph)), &
+            dot => dotState(ph), &
-            stt => state(phase_plasticityInstance(ph)))
+            stt => state(ph))
   ns = prm%sum_N_sl
 
   tau = 0.0_pReal
   gdot = 0.0_pReal
 
-  rho  = getRho(phase_plasticityInstance(ph),me,ip,el)
+  rho  = getRho(ph,me)
   rhoSgl = rho(:,sgl)
   rhoDip = rho(:,dip)
-  rho0 = getRho0(phase_plasticityInstance(ph),me,ip,el)
+  rho0 = getRho0(ph,me)
   my_rhoSgl0 = rho0(:,sgl)
 
-  forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,phase_plasticityInstance(ph)),me)
+  forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),me)
   gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
 
 #ifdef DEBUG
@@ -1086,7 +1072,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
         * sqrt(stt%rho_forest(:,me)) / prm%i_sl / prm%b_sl, 2, 4)
   endif isBCC
 
-  forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,phase_plasticityInstance(ph)),me)
+  forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),me)
 
 
   !****************************************************************************
@@ -1142,7 +1128,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
                                          - rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
                                                                   - rhoDotSingle2DipoleGlide(s,9))  ! make sure that we do not annihilate more dipoles than we have
 
-  rhoDot = rhoDotFlux(timestep, phase_plasticityInstance(ph),me,ip,el) &
+  rhoDot = rhoDotFlux(timestep, ph,me,ip,el) &
          + rhoDotMultiplication &
          + rhoDotSingle2DipoleGlide &
          + rhoDotAthermalAnnihilation &
@@ -1171,19 +1157,18 @@ end subroutine nonlocal_dotState
 !---------------------------------------------------------------------------------------------------
 !> @brief calculates the rate of change of microstructure
 !---------------------------------------------------------------------------------------------------
-function rhoDotFlux(timestep,instance,me,ip,el)
+function rhoDotFlux(timestep,ph,me,ip,el)
 
   real(pReal), intent(in) :: &
     timestep                                                                                        !< substepped crystallite time increment
   integer, intent(in) :: &
-    instance, &
+    ph, &
     me, &
     ip, &                                                                                           !< current integration point
     el                                                                                              !< current element number
 
   integer ::  &
-    ph, &
+    neighbor_ph, &                                                                                  !< phase of my neighbor's plasticity
-    neighbor_instance, &                                                                            !< instance of my neighbor's plasticity
     ns, &                                                                                           !< short notation for the total number of active slip systems
     c, &                                                                                            !< character of dislocation
     n, &                                                                                            !< index of my current neighbor
@@ -1199,20 +1184,20 @@ function rhoDotFlux(timestep,instance,me,ip,el)
     np,&                                                                                            !< neighbor phase shortcut
     topp, &                                                                                         !< type of dislocation with opposite sign to t
     s                                                                                               !< index of my current slip system
-  real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
     rho, &
     rho0, &                                                                                         !< dislocation density at beginning of time step
     rhoDotFlux                                                                                      !< density evolution by flux
-  real(pReal), dimension(param(instance)%sum_N_sl,8) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,8) :: &
     rhoSgl, &                                                                                       !< current single dislocation densities (positive/negative screw and edge without dipoles)
     neighbor_rhoSgl0, &                                                                             !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
     my_rhoSgl0                                                                                      !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
-  real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
     v, &                                                                                            !< current dislocation glide velocity
     v0, &
     neighbor_v0, &                                                                                  !< dislocation glide velocity of enighboring ip
     gdot                                                                                            !< shear rates
-  real(pReal), dimension(3,param(instance)%sum_N_sl,4) :: &
+  real(pReal), dimension(3,param(ph)%sum_N_sl,4) :: &
     m                                                                                               !< direction of dislocation motion
   real(pReal), dimension(3,3) :: &
     my_F, &                                                                                         !< my total deformation gradient
@@ -1230,26 +1215,25 @@ function rhoDotFlux(timestep,instance,me,ip,el)
     transmissivity, &                                                                               !< overall transmissivity of dislocation flux to neighboring material point
     lineLength                                                                                      !< dislocation line length leaving the current interface
 
-  ph = material_phaseAt(1,el)
 
-  associate(prm => param(instance), &
+  associate(prm => param(ph), &
-            dst => microstructure(instance), &
+            dst => microstructure(ph), &
-            dot => dotState(instance), &
+            dot => dotState(ph), &
-            stt => state(instance))
+            stt => state(ph))
   ns = prm%sum_N_sl
 
   gdot = 0.0_pReal
 
-  rho  = getRho(instance,me,ip,el)
+  rho  = getRho(ph,me)
   rhoSgl = rho(:,sgl)
-  rho0 = getRho0(instance,me,ip,el)
+  rho0 = getRho0(ph,me)
   my_rhoSgl0 = rho0(:,sgl)
 
-  forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me)                   !ToDo: MD: I think we should use state0 here
+  forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),me)                   !ToDo: MD: I think we should use state0 here
   gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
 
 
-  forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),me)
+  forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),me)
 
   !****************************************************************************
   !*** calculate dislocation fluxes (only for nonlocal plasticity)
@@ -1284,8 +1268,8 @@ function rhoDotFlux(timestep,instance,me,ip,el)
     m(1:3,:,3) = -prm%slip_transverse
     m(1:3,:,4) =  prm%slip_transverse
 
-    my_F = constitutive_mech_F(ph)%data(1:3,1:3,me)
+    my_F = phase_mechanical_F(ph)%data(1:3,1:3,me)
-    my_Fe = matmul(my_F, math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me)))
+    my_Fe = matmul(my_F, math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,me)))
 
     neighbors: do n = 1,nIPneighbors
 
@@ -1301,9 +1285,9 @@ function rhoDotFlux(timestep,instance,me,ip,el)
       opposite_n  = IPneighborhood(3,opposite_neighbor,ip,el)
 
       if (neighbor_n > 0) then                                                                      ! if neighbor exists, average deformation gradient
-        neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
+        neighbor_ph = material_phaseAt(1,neighbor_el)
-        neighbor_F = constitutive_mech_F(np)%data(1:3,1:3,no)
+        neighbor_F = phase_mechanical_F(np)%data(1:3,1:3,no)
-        neighbor_Fe = matmul(neighbor_F, math_inv33(constitutive_mech_Fp(np)%data(1:3,1:3,no)))
+        neighbor_Fe = matmul(neighbor_F, math_inv33(phase_mechanical_Fp(np)%data(1:3,1:3,no)))
         Favg = 0.5_pReal * (my_F + neighbor_F)
       else                                                                                          ! if no neighbor, take my value as average
         Favg = my_F
@@ -1324,8 +1308,8 @@ function rhoDotFlux(timestep,instance,me,ip,el)
           any(compatibility(:,:,:,n,ip,el) > 0.0_pReal)) then
 
         forall (s = 1:ns, t = 1:4)
-          neighbor_v0(s,t) =          plasticState(np)%state0(iV   (s,t,neighbor_instance),no)
+          neighbor_v0(s,t) =          plasticState(np)%state0(iV   (s,t,neighbor_ph),no)
-          neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_instance),no),0.0_pReal)
+          neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_ph),no),0.0_pReal)
         endforall
 
         where (neighbor_rhoSgl0 * IPvolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%rho_min &
@@ -1408,12 +1392,12 @@ end function rhoDotFlux
 ! plane normals and signed cosine of the angle between the slip directions. Only the largest values
 ! that sum up to a total of 1 are considered, all others are set to zero.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
+module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
 
   type(rotation), dimension(1,discretization_nIPs,discretization_Nelems), intent(in) :: &
     orientation                                                                                     ! crystal orientation
   integer, intent(in) :: &
-    instance, &
+    ph, &
     i, &
     e
 
@@ -1421,24 +1405,21 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
     n, &                                                                                            ! neighbor index
     neighbor_e, &                                                                                   ! element index of my neighbor
     neighbor_i, &                                                                                   ! integration point index of my neighbor
-    ph, &
     neighbor_phase, &
     ns, &                                                                                           ! number of active slip systems
     s1, &                                                                                           ! slip system index (me)
     s2                                                                                              ! slip system index (my neighbor)
-  real(pReal), dimension(2,param(instance)%sum_N_sl,param(instance)%sum_N_sl,nIPneighbors) :: &
+  real(pReal), dimension(2,param(ph)%sum_N_sl,param(ph)%sum_N_sl,nIPneighbors) :: &
     my_compatibility                                                                                ! my_compatibility for current element and ip
   real(pReal) :: &
     my_compatibilitySum, &
     thresholdValue, &
     nThresholdValues
-  logical, dimension(param(instance)%sum_N_sl) :: &
+  logical, dimension(param(ph)%sum_N_sl) :: &
     belowThreshold
   type(rotation) :: mis
 
-  ph = material_phaseAt(1,e)
+  associate(prm => param(ph))
-
-  associate(prm => param(instance))
   ns = prm%sum_N_sl
 
   !*** start out fully compatible
@@ -1524,14 +1505,14 @@ end subroutine plastic_nonlocal_updateCompatibility
 !--------------------------------------------------------------------------------------------------
 !> @brief writes results to HDF5 output file
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_nonlocal_results(instance,group)
+module subroutine plastic_nonlocal_results(ph,group)
 
-  integer,         intent(in) :: instance
+  integer,         intent(in) :: ph
   character(len=*),intent(in) :: group
 
   integer :: o
 
-  associate(prm => param(instance),dst => microstructure(instance),stt=>state(instance))
+  associate(prm => param(ph),dst => microstructure(ph),stt=>state(ph))
   outputsLoop: do o = 1,size(prm%output)
     select case(trim(prm%output(o)))
       case('rho_u_ed_pos')
@@ -1595,17 +1576,16 @@ end subroutine plastic_nonlocal_results
 !--------------------------------------------------------------------------------------------------
 !> @brief populates the initial dislocation density
 !--------------------------------------------------------------------------------------------------
-subroutine stateInit(ini,phase,Nconstituents,instance)
+subroutine stateInit(ini,phase,Nconstituents)
 
   type(tInitialParameters) :: &
     ini
   integer,intent(in) :: &
     phase, &
-    Nconstituents, &
+    Nconstituents
-    instance
   integer :: &
-    e, &
     i, &
+    e, &
     f, &
     from, &
     upto, &
@@ -1623,7 +1603,7 @@ subroutine stateInit(ini,phase,Nconstituents,instance)
     volume
 
 
-  associate(stt => state(instance))
+  associate(stt => state(phase))
 
   if (ini%random_rho_u > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume
     do e = 1,discretization_Nelems
@@ -1652,8 +1632,8 @@ subroutine stateInit(ini,phase,Nconstituents,instance)
         do s = from,upto
           noise = [math_sampleGaussVar(0.0_pReal, ini%sigma_rho_u), &
                    math_sampleGaussVar(0.0_pReal, ini%sigma_rho_u)]
-          stt%rho_sgl_mob_edg_pos(s,e) = ini%rho_u_ed_pos_0(f)  + noise(1)
+          stt%rho_sgl_mob_edg_pos(s,e) = ini%rho_u_ed_pos_0(f) + noise(1)
-          stt%rho_sgl_mob_edg_neg(s,e) = ini%rho_u_ed_neg_0(f)  + noise(1)
+          stt%rho_sgl_mob_edg_neg(s,e) = ini%rho_u_ed_neg_0(f) + noise(1)
           stt%rho_sgl_mob_scr_pos(s,e) = ini%rho_u_sc_pos_0(f) + noise(2)
           stt%rho_sgl_mob_scr_neg(s,e) = ini%rho_u_sc_neg_0(f) + noise(2)
         enddo
@@ -1671,18 +1651,18 @@ end subroutine stateInit
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates kinetics
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Temperature, instance)
+pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Temperature, ph)
 
   integer, intent(in) :: &
     c, &                                                                                            !< dislocation character (1:edge, 2:screw)
-    instance
+    ph
   real(pReal), intent(in) :: &
     Temperature                                                                                     !< temperature
-  real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
     tau, &                                                                                          !< resolved external shear stress (without non Schmid effects)
     tauNS, &                                                                                        !< resolved external shear stress (including non Schmid effects)
     tauThreshold                                                                                    !< threshold shear stress
-  real(pReal), dimension(param(instance)%sum_N_sl), intent(out) ::  &
+  real(pReal), dimension(param(ph)%sum_N_sl), intent(out) ::  &
     v, &                                                                                            !< velocity
     dv_dtau, &                                                                                      !< velocity derivative with respect to resolved shear stress (without non Schmid contributions)
     dv_dtauNS                                                                                       !< velocity derivative with respect to resolved shear stress (including non Schmid contributions)
@@ -1713,7 +1693,7 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem
     criticalStress_S, &                                                                             !< maximum obstacle strength
     mobility                                                                                        !< dislocation mobility
 
-  associate(prm => param(instance))
+  associate(prm => param(ph))
   ns = prm%sum_N_sl
   v = 0.0_pReal
   dv_dtau = 0.0_pReal
@@ -1786,21 +1766,22 @@ end subroutine kinetics
 !> @brief returns copy of current dislocation densities from state
 !> @details raw values is rectified
 !--------------------------------------------------------------------------------------------------
-pure function getRho(instance,me,ip,el)
+pure function getRho(ph,me)
 
-  integer, intent(in) :: instance, me,ip,el
+  integer, intent(in) :: ph, me
-  real(pReal), dimension(param(instance)%sum_N_sl,10) :: getRho
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: getRho
 
-  associate(prm => param(instance))
 
-  getRho = reshape(state(instance)%rho(:,me),[prm%sum_N_sl,10])
+  associate(prm => param(ph))
 
-  ! ensure positive densities (not for imm, they have a sign)
+    getRho = reshape(state(ph)%rho(:,me),[prm%sum_N_sl,10])
-  getRho(:,mob) = max(getRho(:,mob),0.0_pReal)
-  getRho(:,dip) = max(getRho(:,dip),0.0_pReal)
 
-  where(abs(getRho) < max(prm%rho_min/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
+    ! ensure positive densities (not for imm, they have a sign)
-    getRho = 0.0_pReal
+    getRho(:,mob) = max(getRho(:,mob),0.0_pReal)
+    getRho(:,dip) = max(getRho(:,dip),0.0_pReal)
+
+    where(abs(getRho) < max(prm%rho_min/geom(ph)%V_0(me)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
+      getRho = 0.0_pReal
 
   end associate
 
@@ -1811,24 +1792,46 @@ end function getRho
 !> @brief returns copy of current dislocation densities from state
 !> @details raw values is rectified
 !--------------------------------------------------------------------------------------------------
-pure function getRho0(instance,me,ip,el)
+pure function getRho0(ph,me)
 
-  integer, intent(in) :: instance, me,ip,el
+  integer, intent(in) :: ph, me
-  real(pReal), dimension(param(instance)%sum_N_sl,10) :: getRho0
+  real(pReal), dimension(param(ph)%sum_N_sl,10) :: getRho0
 
-  associate(prm => param(instance))
 
-  getRho0 = reshape(state0(instance)%rho(:,me),[prm%sum_N_sl,10])
+  associate(prm => param(ph))
 
-  ! ensure positive densities (not for imm, they have a sign)
+    getRho0 = reshape(state0(ph)%rho(:,me),[prm%sum_N_sl,10])
-  getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)
-  getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal)
 
-  where(abs(getRho0) < max(prm%rho_min/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
+    ! ensure positive densities (not for imm, they have a sign)
-    getRho0 = 0.0_pReal
+    getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)
+    getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal)
+
+    where(abs(getRho0) < max(prm%rho_min/geom(ph)%V_0(me)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
+      getRho0 = 0.0_pReal
 
   end associate
 
 end function getRho0
 
+
+subroutine storeGeometry(ph)
+
+  integer, intent(in) :: ph
+
+  integer :: ip, el, ce, co
+
+  ce = 0
+  do el = 1, size(material_homogenizationMemberAt,2)
+    do ip = 1, size(material_homogenizationMemberAt,1)
+      ce = ce + 1
+      do co = 1, homogenization_maxNconstituents
+        if(material_phaseAt2(co,ce) == ph) then
+           geom(ph)%V_0(material_phaseMemberAt2(co,ce)) = IPvolume(ip,el)
+        endif
+      enddo
+    enddo
+  enddo
+
+end subroutine
+
 end submodule nonlocal

src/phase_mechanical_plastic_phenopowerlaw.f90

@@ -70,8 +70,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
 
   logical, dimension(:), allocatable :: myPlasticity
   integer :: &
-    Ninstances, &
+    ph, i, &
-    p, i, &
     Nconstituents, &
     sizeState, sizeDotState, &
     startIndex, endIndex
@@ -89,27 +88,26 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
     mech, &
     pl
 
-  print'(/,a)', ' <<<+-  phase:mechanics:plastic:phenopowerlaw init  -+>>>'
 
   myPlasticity = plastic_active('phenopowerlaw')
-  Ninstances = count(myPlasticity)
+  if(count(myPlasticity) == 0) return
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
+
-  if(Ninstances == 0) return
+  print'(/,a)', ' <<<+-  phase:mechanical:plastic:phenopowerlaw init  -+>>>'
+  print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
 
-  allocate(param(Ninstances))
-  allocate(state(Ninstances))
-  allocate(dotState(Ninstances))
 
   phases => config_material%get('phase')
-  i = 0
+  allocate(param(phases%length))
-  do p = 1, phases%length
+  allocate(state(phases%length))
-    phase => phases%get(p)
+  allocate(dotState(phases%length))
+
+  do ph = 1, phases%length
+    if(.not. myPlasticity(ph)) cycle
+
+    associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
+
+    phase => phases%get(ph)
     mech  => phase%get('mechanics')
-    if(.not. myPlasticity(p)) cycle
-    i = i + 1
-    associate(prm => param(i), &
-              dot => dotState(i), &
-              stt => state(i))
     pl  => mech%get('plasticity')
 
 !--------------------------------------------------------------------------------------------------
@@ -136,7 +134,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
       xi_0_sl             = pl%get_asFloats('xi_0_sl',   requiredSize=size(N_sl))
       prm%xi_inf_sl       = pl%get_asFloats('xi_inf_sl', requiredSize=size(N_sl))
       prm%h_int           = pl%get_asFloats('h_int',     requiredSize=size(N_sl), &
-                                               defaultVal=[(0.0_pReal,i=1,size(N_sl))])
+                                            defaultVal=[(0.0_pReal,i=1,size(N_sl))])
 
       prm%dot_gamma_0_sl  = pl%get_asFloat('dot_gamma_0_sl')
       prm%n_sl            = pl%get_asFloat('n_sl')
@@ -225,49 +223,49 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
-    Nconstituents = count(material_phaseAt2 == p)
+    Nconstituents = count(material_phaseAt2 == ph)
     sizeDotState = size(['xi_sl   ','gamma_sl']) * prm%sum_N_sl &
                  + size(['xi_tw   ','gamma_tw']) * prm%sum_N_tw
     sizeState = sizeDotState
 
 
-    call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
+    call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
 
 !--------------------------------------------------------------------------------------------------
 ! state aliases and initialization
     startIndex = 1
     endIndex   = prm%sum_N_sl
-    stt%xi_slip => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%xi_slip => plasticState(ph)%state   (startIndex:endIndex,:)
     stt%xi_slip =  spread(xi_0_sl, 2, Nconstituents)
-    dot%xi_slip => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%xi_slip => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
-    if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
+    if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_tw
-    stt%xi_twin => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%xi_twin => plasticState(ph)%state   (startIndex:endIndex,:)
     stt%xi_twin =  spread(xi_0_tw, 2, Nconstituents)
-    dot%xi_twin => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%xi_twin => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
-    if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
+    if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_sl
-    stt%gamma_slip => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%gamma_slip => plasticState(ph)%state   (startIndex:endIndex,:)
-    dot%gamma_slip => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%gamma_slip => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
-    if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
+    if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
     ! global alias
-    plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
+    plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
 
     startIndex = endIndex + 1
     endIndex   = endIndex + prm%sum_N_tw
-    stt%gamma_twin => plasticState(p)%state   (startIndex:endIndex,:)
+    stt%gamma_twin => plasticState(ph)%state   (startIndex:endIndex,:)
-    dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:)
+    dot%gamma_twin => plasticState(ph)%dotState(startIndex:endIndex,:)
-    plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
+    plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
-    if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
+    if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
 
-    plasticState(p)%state0 = plasticState(p)%state                                                  ! ToDo: this could be done centrally
+    plasticState(ph)%state0 = plasticState(ph)%state                                                ! ToDo: this could be done centrally
 
     end associate
 
@@ -300,18 +298,18 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
 
   integer :: &
     i,k,l,m,n
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     gdot_slip_pos,gdot_slip_neg, &
     dgdot_dtauslip_pos,dgdot_dtauslip_neg
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tw) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw) :: &
     gdot_twin,dgdot_dtautwin
 
   Lp = 0.0_pReal
   dLp_dMp = 0.0_pReal
 
-  associate(prm => param(phase_plasticityInstance(ph)))
+  associate(prm => param(ph))
 
-  call kinetics_slip(Mp,phase_plasticityInstance(ph),me,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
+  call kinetics_slip(Mp,ph,me,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
   slipSystems: do i = 1, prm%sum_N_sl
     Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%P_sl(1:3,1:3,i)
     forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@@ -320,7 +318,7 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
                        + dgdot_dtauslip_neg(i) * prm%P_sl(k,l,i) * prm%nonSchmid_neg(m,n,i)
   enddo slipSystems
 
-  call kinetics_twin(Mp,phase_plasticityInstance(ph),me,gdot_twin,dgdot_dtautwin)
+  call kinetics_twin(Mp,ph,me,gdot_twin,dgdot_dtautwin)
   twinSystems: do i = 1, prm%sum_N_tw
     Lp = Lp + gdot_twin(i)*prm%P_tw(1:3,1:3,i)
     forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@@ -348,12 +346,12 @@ module subroutine phenopowerlaw_dotState(Mp,ph,me)
     c_SlipSlip,c_TwinSlip,c_TwinTwin, &
     xi_slip_sat_offset,&
     sumGamma,sumF
-  real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     left_SlipSlip,right_SlipSlip, &
     gdot_slip_pos,gdot_slip_neg
 
-  associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)), &
+  associate(prm => param(ph), stt => state(ph), &
-  dot => dotState(phase_plasticityInstance(ph)))
+  dot => dotState(ph))
 
   sumGamma = sum(stt%gamma_slip(:,me))
   sumF     = sum(stt%gamma_twin(:,me)/prm%gamma_tw_char)
@@ -373,9 +371,9 @@ module subroutine phenopowerlaw_dotState(Mp,ph,me)
 
 !--------------------------------------------------------------------------------------------------
 ! shear rates
-  call kinetics_slip(Mp,phase_plasticityInstance(ph),me,gdot_slip_pos,gdot_slip_neg)
+  call kinetics_slip(Mp,ph,me,gdot_slip_pos,gdot_slip_neg)
   dot%gamma_slip(:,me) = abs(gdot_slip_pos+gdot_slip_neg)
-  call kinetics_twin(Mp,phase_plasticityInstance(ph),me,dot%gamma_twin(:,me))
+  call kinetics_twin(Mp,ph,me,dot%gamma_twin(:,me))
 
 !--------------------------------------------------------------------------------------------------
 ! hardening
@@ -393,14 +391,14 @@ end subroutine phenopowerlaw_dotState
 !--------------------------------------------------------------------------------------------------
 !> @brief Write results to HDF5 output file.
 !--------------------------------------------------------------------------------------------------
-module subroutine plastic_phenopowerlaw_results(instance,group)
+module subroutine plastic_phenopowerlaw_results(ph,group)
 
-  integer,          intent(in) :: instance
+  integer,          intent(in) :: ph
   character(len=*), intent(in) :: group
 
   integer :: o
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
   outputsLoop: do o = 1,size(prm%output)
     select case(trim(prm%output(o)))
 
@@ -432,28 +430,28 @@ end subroutine plastic_phenopowerlaw_results
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end.
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics_slip(Mp,instance,me, &
+pure subroutine kinetics_slip(Mp,ph,me, &
                               gdot_slip_pos,gdot_slip_neg,dgdot_dtau_slip_pos,dgdot_dtau_slip_neg)
 
   real(pReal), dimension(3,3),  intent(in) :: &
     Mp                                                                                              !< Mandel stress
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal),                  intent(out), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal),                  intent(out), dimension(param(ph)%sum_N_sl) :: &
     gdot_slip_pos, &
     gdot_slip_neg
-  real(pReal),                  intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
+  real(pReal),                  intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
     dgdot_dtau_slip_pos, &
     dgdot_dtau_slip_neg
 
-  real(pReal), dimension(param(instance)%sum_N_sl) :: &
+  real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau_slip_pos, &
     tau_slip_neg
   integer :: i
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
 
   do i = 1, prm%sum_N_sl
     tau_slip_pos(i) =       math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,i))
@@ -501,25 +499,25 @@ end subroutine kinetics_slip
 ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
 ! have the optional arguments at the end.
 !--------------------------------------------------------------------------------------------------
-pure subroutine kinetics_twin(Mp,instance,me,&
+pure subroutine kinetics_twin(Mp,ph,me,&
                               gdot_twin,dgdot_dtau_twin)
 
   real(pReal), dimension(3,3),  intent(in) :: &
     Mp                                                                                              !< Mandel stress
   integer,                      intent(in) :: &
-    instance, &
+    ph, &
     me
 
-  real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
     gdot_twin
-  real(pReal), dimension(param(instance)%sum_N_tw), intent(out), optional :: &
+  real(pReal), dimension(param(ph)%sum_N_tw), intent(out), optional :: &
     dgdot_dtau_twin
 
-  real(pReal), dimension(param(instance)%sum_N_tw) :: &
+  real(pReal), dimension(param(ph)%sum_N_tw) :: &
     tau_twin
   integer :: i
 
-  associate(prm => param(instance), stt => state(instance))
+  associate(prm => param(ph), stt => state(ph))
 
   do i = 1, prm%sum_N_tw
     tau_twin(i)  = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))

src/phase_mechanics_eigendeformation.f90

@@ -1,207 +0,0 @@
-submodule(phase:mechanics) eigendeformation
-
-  interface
-    module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
-      integer, intent(in) :: kinematics_length
-      logical, dimension(:,:), allocatable :: myKinematics
-    end function kinematics_cleavage_opening_init
-
-    module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
-      integer, intent(in) :: kinematics_length
-      logical, dimension(:,:), allocatable :: myKinematics
-    end function kinematics_slipplane_opening_init
-
-    module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
-      integer, intent(in) :: kinematics_length
-      logical, dimension(:,:), allocatable :: myKinematics
-    end function kinematics_thermal_expansion_init
-
-    module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
-      integer, intent(in) :: &
-        co, &                                                                                      !< grain number
-        ip, &                                                                                       !< integration point number
-        el                                                                                          !< element number
-      real(pReal),   intent(in),  dimension(3,3) :: &
-        S
-      real(pReal),   intent(out), dimension(3,3) :: &
-        Ld                                                                                          !< damage velocity gradient
-      real(pReal),   intent(out), dimension(3,3,3,3) :: &
-        dLd_dTstar                                                                                  !< derivative of Ld with respect to Tstar (4th-order tensor)
-    end subroutine kinematics_cleavage_opening_LiAndItsTangent
-
-    module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
-      integer, intent(in) :: &
-        co, &                                                                                      !< grain number
-        ip, &                                                                                       !< integration point number
-        el                                                                                          !< element number
-      real(pReal),   intent(in),  dimension(3,3) :: &
-        S
-      real(pReal),   intent(out), dimension(3,3) :: &
-        Ld                                                                                          !< damage velocity gradient
-      real(pReal),   intent(out), dimension(3,3,3,3) :: &
-        dLd_dTstar                                                                                  !< derivative of Ld with respect to Tstar (4th-order tensor)
-    end subroutine kinematics_slipplane_opening_LiAndItsTangent
-
-    module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
-      integer, intent(in) :: ph, me
-                                                                                       !< element number
-      real(pReal),   intent(out), dimension(3,3) :: &
-        Li                                                                                          !< thermal velocity gradient
-      real(pReal),   intent(out), dimension(3,3,3,3) :: &
-        dLi_dTstar                                                                                  !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
-    end subroutine thermalexpansion_LiAndItsTangent
-
-  end interface
-
-
-contains
-
-
-module subroutine eigendeformation_init(phases)
-
-  class(tNode), pointer :: &
-    phases
-
-  integer :: &
-    ph
-  class(tNode), pointer :: &
-    phase, &
-   kinematics
-
-  print'(/,a)', ' <<<+-  phase:mechanics:eigendeformation init  -+>>>'
-
-!--------------------------------------------------------------------------------------------------
-! initialize kinematic mechanisms
-  allocate(phase_Nkinematics(phases%length),source = 0)
-  do ph = 1,phases%length
-    phase => phases%get(ph)
-    kinematics => phase%get('kinematics',defaultVal=emptyList)
-    phase_Nkinematics(ph) = kinematics%length
-  enddo
-
-  allocate(phase_kinematics(maxval(phase_Nkinematics),phases%length), source = KINEMATICS_undefined_ID)
-
-  if(maxval(phase_Nkinematics) /= 0) then
-    where(kinematics_cleavage_opening_init(maxval(phase_Nkinematics)))  phase_kinematics = KINEMATICS_cleavage_opening_ID
-    where(kinematics_slipplane_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_slipplane_opening_ID
-    where(kinematics_thermal_expansion_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_thermal_expansion_ID
-  endif
-
-end subroutine eigendeformation_init
-
-
-
-!--------------------------------------------------------------------------------------------------
-!> @brief checks if a kinematic mechanism is active or not
-!--------------------------------------------------------------------------------------------------
-function kinematics_active(kinematics_label,kinematics_length)  result(active_kinematics)
-
-  character(len=*), intent(in)         :: kinematics_label                                          !< name of kinematic mechanism
-  integer,          intent(in)         :: kinematics_length                                         !< max. number of kinematics in system
-  logical, dimension(:,:), allocatable :: active_kinematics
-
-  class(tNode), pointer :: &
-    phases, &
-    phase, &
-    kinematics, &
-    kinematics_type
-  integer :: p,k
-
-  phases => config_material%get('phase')
-  allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
-  do p = 1, phases%length
-    phase => phases%get(p)
-    kinematics => phase%get('kinematics',defaultVal=emptyList)
-    do k = 1, kinematics%length
-      kinematics_type => kinematics%get(k)
-      if(kinematics_type%get_asString('type') == kinematics_label) active_kinematics(k,p) = .true.
-    enddo
-  enddo
-
-
-end function kinematics_active
-
-
-!--------------------------------------------------------------------------------------------------
-!> @brief  contains the constitutive equation for calculating the velocity gradient
-! ToDo: MD: S is Mi?
-!--------------------------------------------------------------------------------------------------
-module subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
-                                         S, Fi, co, ip, el)
-
-  integer, intent(in) :: &
-    co, &                                                                                          !< component-ID of integration point
-    ip, &                                                                                           !< integration point
-    el                                                                                              !< element
-  real(pReal),   intent(in),  dimension(3,3) :: &
-    S                                                                                               !< 2nd Piola-Kirchhoff stress
-  real(pReal),   intent(in),  dimension(3,3) :: &
-    Fi                                                                                              !< intermediate deformation gradient
-  real(pReal),   intent(out), dimension(3,3) :: &
-    Li                                                                                              !< intermediate velocity gradient
-  real(pReal),   intent(out), dimension(3,3,3,3) :: &
-    dLi_dS, &                                                                                       !< derivative of Li with respect to S
-    dLi_dFi
-
-  real(pReal), dimension(3,3) :: &
-    my_Li, &                                                                                        !< intermediate velocity gradient
-    FiInv, &
-    temp_33
-  real(pReal), dimension(3,3,3,3) :: &
-    my_dLi_dS
-  real(pReal) :: &
-    detFi
-  integer :: &
-    k, i, j, &
-    instance, of, me, ph
-
-  Li = 0.0_pReal
-  dLi_dS  = 0.0_pReal
-  dLi_dFi = 0.0_pReal
-
-  plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
-    case (PLASTICITY_isotropic_ID) plasticityType
-      of = material_phasememberAt(co,ip,el)
-      instance = phase_plasticityInstance(material_phaseAt(co,el))
-      call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,instance,of)
-    case default plasticityType
-      my_Li = 0.0_pReal
-      my_dLi_dS = 0.0_pReal
-  end select plasticityType
-
-  Li = Li + my_Li
-  dLi_dS = dLi_dS + my_dLi_dS
-
-  KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(co,el))
-    kinematicsType: select case (phase_kinematics(k,material_phaseAt(co,el)))
-      case (KINEMATICS_cleavage_opening_ID) kinematicsType
-        call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
-      case (KINEMATICS_slipplane_opening_ID) kinematicsType
-        call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
-      case (KINEMATICS_thermal_expansion_ID) kinematicsType
-        me = material_phaseMemberAt(co,ip,el)
-        ph = material_phaseAt(co,el)
-        call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
-      case default kinematicsType
-        my_Li = 0.0_pReal
-        my_dLi_dS = 0.0_pReal
-    end select kinematicsType
-    Li = Li + my_Li
-    dLi_dS = dLi_dS + my_dLi_dS
-  enddo KinematicsLoop
-
-  FiInv = math_inv33(Fi)
-  detFi = math_det33(Fi)
-  Li = matmul(matmul(Fi,Li),FiInv)*detFi                                                            !< push forward to intermediate configuration
-  temp_33 = matmul(FiInv,Li)
-
-  do i = 1,3; do j = 1,3
-    dLi_dS(1:3,1:3,i,j)  = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
-    dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
-    dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
-  enddo; enddo
-
-end subroutine constitutive_LiAndItsTangents
-
-
-end submodule eigendeformation

src/phase_mechanics_eigendeformation_cleavageopening.f90

@@ -1,165 +0,0 @@
-!--------------------------------------------------------------------------------------------------
-!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
-!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
-!> @brief material subroutine incorporating kinematics resulting from opening of cleavage planes
-!> @details to be done
-!--------------------------------------------------------------------------------------------------
-submodule(phase:eigendeformation) cleavageopening
-
-  integer, dimension(:), allocatable :: kinematics_cleavage_opening_instance
-
-  type :: tParameters                                                                               !< container type for internal constitutive parameters
-    integer :: &
-      sum_N_cl                                                                                      !< total number of cleavage planes
-    real(pReal) :: &
-      dot_o, &                                                                                      !< opening rate of cleavage planes
-      q                                                                                             !< damage rate sensitivity
-    real(pReal),   dimension(:),   allocatable :: &
-      g_crit
-    real(pReal), dimension(:,:,:,:), allocatable :: &
-      cleavage_systems
-  end type tParameters
-
-  type(tParameters), dimension(:), allocatable :: param                                             !< containers of constitutive parameters (len Ninstances)
-
-
-contains
-
-
-!--------------------------------------------------------------------------------------------------
-!> @brief module initialization
-!> @details reads in material parameters, allocates arrays, and does sanity checks
-!--------------------------------------------------------------------------------------------------
-module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
-
-  integer, intent(in)                  :: kinematics_length
-  logical, dimension(:,:), allocatable :: myKinematics
-
-  integer :: Ninstances,p,k
-  integer, dimension(:), allocatable :: N_cl                                                        !< active number of cleavage systems per family
-  character(len=pStringLen) :: extmsg = ''
-  class(tNode), pointer :: &
-    phases, &
-    phase, &
-    kinematics, &
-    kinematic_type
-
-  print'(/,a)', ' <<<+-  phase:mechanics:eigendeformation:cleavageopening init  -+>>>'
-
-  myKinematics = kinematics_active('cleavage_opening',kinematics_length)
-  Ninstances = count(myKinematics)
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
-  if(Ninstances == 0) return
-
-  phases => config_material%get('phase')
-  allocate(param(Ninstances))
-  allocate(kinematics_cleavage_opening_instance(phases%length), source=0)
-
-  do p = 1, phases%length
-    if(any(myKinematics(:,p))) kinematics_cleavage_opening_instance(p) = count(myKinematics(:,1:p))
-    phase => phases%get(p)
-    if(count(myKinematics(:,p)) == 0) cycle
-    kinematics => phase%get('kinematics')
-    do k = 1, kinematics%length
-      if(myKinematics(k,p)) then
-        associate(prm  => param(kinematics_cleavage_opening_instance(p)))
-        kinematic_type => kinematics%get(k)
-
-        N_cl = kinematic_type%get_asInts('N_cl')
-        prm%sum_N_cl = sum(abs(N_cl))
-
-        prm%q       = kinematic_type%get_asFloat('q')
-        prm%dot_o   = kinematic_type%get_asFloat('dot_o')
-
-        prm%g_crit  = kinematic_type%get_asFloats('g_crit',requiredSize=size(N_cl))
-
-        prm%cleavage_systems  = lattice_SchmidMatrix_cleavage(N_cl,phase%get_asString('lattice'),&
-                                                        phase%get_asFloat('c/a',defaultVal=0.0_pReal))
-
-  ! expand: family => system
-        prm%g_crit = math_expand(prm%g_crit,N_cl)
-
-  ! sanity checks
-        if (prm%q          <= 0.0_pReal)  extmsg = trim(extmsg)//' q'
-        if (prm%dot_o      <= 0.0_pReal)  extmsg = trim(extmsg)//' dot_o'
-        if (any(prm%g_crit <  0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
-
-!--------------------------------------------------------------------------------------------------
-!  exit if any parameter is out of range
-        if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(cleavage_opening)')
-        end associate
-      endif
-    enddo
-  enddo
-
-
-end function kinematics_cleavage_opening_init
-
-
-!--------------------------------------------------------------------------------------------------
-!> @brief  contains the constitutive equation for calculating the velocity gradient
-!--------------------------------------------------------------------------------------------------
-module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
-
-  integer, intent(in) :: &
-    co, &                                                                                          !< grain number
-    ip, &                                                                                           !< integration point number
-    el                                                                                              !< element number
-  real(pReal),   intent(in),  dimension(3,3) :: &
-    S
-  real(pReal),   intent(out), dimension(3,3) :: &
-    Ld                                                                                              !< damage velocity gradient
-  real(pReal),   intent(out), dimension(3,3,3,3) :: &
-    dLd_dTstar                                                                                      !< derivative of Ld with respect to Tstar (4th-order tensor)
-
-  integer :: &
-    homog, damageOffset, &
-    i, k, l, m, n
-  real(pReal) :: &
-    traction_d, traction_t, traction_n, traction_crit, &
-    udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
-
-  homog = material_homogenizationAt(el)
-  damageOffset = material_homogenizationMemberAt(ip,el)
-
-  Ld = 0.0_pReal
-  dLd_dTstar = 0.0_pReal
-  associate(prm => param(kinematics_cleavage_opening_instance(material_phaseAt(co,el))))
-  do i = 1,prm%sum_N_cl
-    traction_crit = prm%g_crit(i)* damage(homog)%p(damageOffset)**2.0_pReal
-
-    traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
-    if (abs(traction_d) > traction_crit + tol_math_check) then
-      udotd = sign(1.0_pReal,traction_d)* prm%dot_o * ((abs(traction_d) - traction_crit)/traction_crit)**prm%q
-      Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i)
-      dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%q / (abs(traction_d) - traction_crit)
-      forall (k=1:3,l=1:3,m=1:3,n=1:3) &
-        dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
-                            + dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i)
-    endif
-
-    traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
-    if (abs(traction_t) > traction_crit + tol_math_check) then
-      udott = sign(1.0_pReal,traction_t)* prm%dot_o * ((abs(traction_t) - traction_crit)/traction_crit)**prm%q
-      Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i)
-      dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%q / (abs(traction_t) - traction_crit)
-      forall (k=1:3,l=1:3,m=1:3,n=1:3) &
-        dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
-                            + dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i)
-    endif
-
-    traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
-    if (abs(traction_n) > traction_crit + tol_math_check) then
-      udotn = sign(1.0_pReal,traction_n)* prm%dot_o * ((abs(traction_n) - traction_crit)/traction_crit)**prm%q
-      Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i)
-      dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%q / (abs(traction_n) - traction_crit)
-      forall (k=1:3,l=1:3,m=1:3,n=1:3) &
-        dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
-                            + dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i)
-    endif
-  enddo
-  end associate
-
-end subroutine kinematics_cleavage_opening_LiAndItsTangent
-
-end submodule cleavageopening

src/phase_thermal.f90

@@ -3,6 +3,12 @@
 !----------------------------------------------------------------------------------------------------
 submodule(phase) thermal
 
+  integer, dimension(:), allocatable :: &
+    thermal_Nsources
+
+  type(tSourceState),  allocatable, dimension(:) :: &
+    thermalState
+
   enum, bind(c); enumerator :: &
     THERMAL_UNDEFINED_ID ,&
     THERMAL_DISSIPATION_ID, &
@@ -33,8 +39,6 @@ submodule(phase) thermal
     end function externalheat_init
 
 
-
-
     module subroutine externalheat_dotState(ph, me)
       integer, intent(in) :: &
         ph, &
@@ -124,7 +128,7 @@ end subroutine thermal_init
 !----------------------------------------------------------------------------------------------
 !< @brief calculates thermal dissipation rate
 !----------------------------------------------------------------------------------------------
-module subroutine constitutive_thermal_getRate(TDot, ph,me)
+module subroutine phase_thermal_getRate(TDot, ph,me)
 
   integer, intent(in) :: ph, me
   real(pReal), intent(out) :: &
@@ -153,13 +157,13 @@ module subroutine constitutive_thermal_getRate(TDot, ph,me)
   enddo
 
 
-end subroutine constitutive_thermal_getRate
+end subroutine phase_thermal_getRate
 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief contains the constitutive equation for calculating the rate of change of microstructure
 !--------------------------------------------------------------------------------------------------
-function constitutive_thermal_collectDotState(ph,me) result(broken)
+function phase_thermal_collectDotState(ph,me) result(broken)
 
   integer, intent(in) :: ph, me
   logical :: broken
@@ -178,7 +182,7 @@ function constitutive_thermal_collectDotState(ph,me) result(broken)
 
   enddo SourceLoop
 
-end function constitutive_thermal_collectDotState
+end function phase_thermal_collectDotState
 
 
 module function thermal_stress(Delta_t,ph,me) result(converged_)
@@ -207,7 +211,7 @@ function integrateThermalState(Delta_t, ph,me) result(broken)
     so, &
     sizeDotState
 
-  broken = constitutive_thermal_collectDotState(ph,me)
+  broken = phase_thermal_collectDotState(ph,me)
   if(broken) return
 
   do so = 1, thermal_Nsources(ph)
@@ -264,7 +268,7 @@ end function thermal_dot_T
 !----------------------------------------------------------------------------------------------
 !< @brief Set temperature
 !----------------------------------------------------------------------------------------------
-module subroutine constitutive_thermal_setField(T,dot_T, co,ce)
+module subroutine phase_thermal_setField(T,dot_T, co,ce)
 
   real(pReal), intent(in) :: T, dot_T
   integer, intent(in) :: ce, co
@@ -273,7 +277,7 @@ module subroutine constitutive_thermal_setField(T,dot_T, co,ce)
   current(material_phaseAt2(co,ce))%T(material_phaseMemberAt2(co,ce)) = T
   current(material_phaseAt2(co,ce))%dot_T(material_phaseMemberAt2(co,ce)) = dot_T
 
-end subroutine constitutive_thermal_setField
+end subroutine phase_thermal_setField
 
 
 

src/phase_thermal_dissipation.f90

@@ -31,15 +31,14 @@ module function dissipation_init(source_length) result(mySources)
     phase, &
     sources, thermal, &
     src
-  integer :: Ninstances,so,Nconstituents,ph
+  integer :: so,Nconstituents,ph
 
-  print'(/,a)', ' <<<+-  phase:thermal:dissipation init  -+>>>'
 
   mySources = thermal_active('dissipation',source_length)
+  if(count(mySources) == 0) return
+  print'(/,a)', ' <<<+-  phase:thermal:dissipation init  -+>>>'
+  print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
 
-  Ninstances = count(mySources)
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
-  if(Ninstances == 0) return
 
   phases => config_material%get('phase')
   allocate(param(phases%length))
@@ -56,7 +55,7 @@ module function dissipation_init(source_length) result(mySources)
 
           prm%kappa = src%get_asFloat('kappa')
           Nconstituents = count(material_phaseAt2 == ph)
-          call constitutive_allocateState(thermalState(ph)%p(so),Nconstituents,0,0,0)
+          call phase_allocateState(thermalState(ph)%p(so),Nconstituents,0,0,0)
 
         end associate
       endif
@@ -78,7 +77,7 @@ module subroutine dissipation_getRate(TDot, ph,me)
 
 
   associate(prm => param(ph))
-    TDot = prm%kappa*sum(abs(mech_S(ph,me)*mech_L_p(ph,me)))
+    TDot = prm%kappa*sum(abs(mechanical_S(ph,me)*mechanical_L_p(ph,me)))
   end associate
 
 end subroutine dissipation_getRate

src/phase_thermal_externalheat.f90

@@ -8,7 +8,7 @@ submodule(phase:thermal) externalheat
 
 
   integer,           dimension(:),   allocatable :: &
-    source_thermal_externalheat_offset                                                           !< which source is my current thermal dissipation mechanism?
+    source_thermal_externalheat_offset                                                              !< which source is my current thermal dissipation mechanism?
 
   type :: tParameters                                                                               !< container type for internal constitutive parameters
     real(pReal), dimension(:), allocatable :: &
@@ -38,15 +38,14 @@ module function externalheat_init(source_length) result(mySources)
     phase, &
     sources, thermal, &
     src
-  integer :: Ninstances,so,Nconstituents,ph
+  integer :: so,Nconstituents,ph
 
-  print'(/,a)', ' <<<+-  phase:thermal:externalheat init  -+>>>'
 
   mySources = thermal_active('externalheat',source_length)
+  if(count(mySources) == 0) return
+  print'(/,a)', ' <<<+-  phase:thermal:externalheat init  -+>>>'
+  print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
 
-  Ninstances = count(mySources)
-  print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
-  if(Ninstances == 0) return
 
   phases => config_material%get('phase')
   allocate(param(phases%length))
@@ -69,7 +68,7 @@ module function externalheat_init(source_length) result(mySources)
           prm%f_T = src%get_asFloats('f_T',requiredSize = size(prm%t_n))
 
           Nconstituents = count(material_phaseAt2 == ph)
-          call constitutive_allocateState(thermalState(ph)%p(so),Nconstituents,1,1,0)
+          call phase_allocateState(thermalState(ph)%p(so),Nconstituents,1,1,0)
         end associate
       endif
     enddo