Merge branch '108_fix-thermalexpansion' into 'development'

bugix: change of behavior

See merge request damask/DAMASK!513

PRIVATE

@@ -1 +1 @@
-Subproject commit 5598ec4892b0921fccf63e8570f9fcd8e0365716
+Subproject commit 419ba7b6f6989a14e0c91c1f1f6621daf8215b71

src/phase_mechanical_eigen_thermalexpansion.f90

@@ -8,10 +8,9 @@ submodule(phase:eigen) thermalexpansion
   integer, dimension(:), allocatable :: kinematics_thermal_expansion_instance
 
   type :: tParameters
-    real(pReal) :: &
+    type(tPolynomial) :: &
-      T_ref
+      A_11, &
-    real(pReal), dimension(3,3,3) :: &
+      A_33
-      A = 0.0_pReal
   end type tParameters
 
   type(tParameters), dimension(:), allocatable :: param
@@ -34,7 +33,7 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
     phase, &
     mech, &
     kinematics, &
-    kinematic_type
+    myConfig
 
   print'(/,1x,a)', '<<<+-  phase:mechanical:eigen:thermalexpansion init  -+>>>'
 
@@ -56,21 +55,13 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
     do k = 1, kinematics%length
       if (myKinematics(k,p)) then
         associate(prm  => param(kinematics_thermal_expansion_instance(p)))
-          kinematic_type => kinematics%get(k)
 
-          prm%T_ref = kinematic_type%get_asFloat('T_ref', defaultVal=T_ROOM)
+          myConfig => kinematics%get(k)
+
+          prm%A_11 = polynomial(myConfig%asDict(),'A_11','T')
+          if (any(phase_lattice(p) == ['hP','tI'])) &
+            prm%A_33 = polynomial(myConfig%asDict(),'A_33','T')
 
-          prm%A(1,1,1) = kinematic_type%get_asFloat('A_11')
-          prm%A(1,1,2) = kinematic_type%get_asFloat('A_11,T',  defaultVal=0.0_pReal)
-          prm%A(1,1,3) = kinematic_type%get_asFloat('A_11,T^2',defaultVal=0.0_pReal)
-          if (any(phase_lattice(p) == ['hP','tI'])) then
-            prm%A(3,3,1) = kinematic_type%get_asFloat('A_33')
-            prm%A(3,3,2) = kinematic_type%get_asFloat('A_33,T',  defaultVal=0.0_pReal)
-            prm%A(3,3,3) = kinematic_type%get_asFloat('A_33,T^2',defaultVal=0.0_pReal)
-          end if
-          do i=1, size(prm%A,3)
-            prm%A(1:3,1:3,i) = lattice_symmetrize_33(prm%A(1:3,1:3,i),phase_lattice(p))
-          end do
         end associate
       end if
     end do
@@ -91,22 +82,20 @@ module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
     dLi_dTstar                                                                                      !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
 
   real(pReal) :: T, dot_T
+  real(pReal), dimension(3,3) :: A
 
 
   T     = thermal_T(ph,me)
   dot_T = thermal_dot_T(ph,me)
 
   associate(prm => param(kinematics_thermal_expansion_instance(ph)))
-    Li = dot_T * ( &
+
-                  prm%A(1:3,1:3,1) &                                                                ! constant  coefficient
+    A = 0.0_pReal
-                + prm%A(1:3,1:3,2)*(T - prm%T_ref) &                                                ! linear    coefficient
+    A(1,1) = prm%A_11%at(T)
-                + prm%A(1:3,1:3,3)*(T - prm%T_ref)**2 &                                             ! quadratic coefficient
+    if (any(phase_lattice(ph) == ['hP','tI'])) A(3,3) = prm%A_33%at(T)
-                ) / &
+    A = lattice_symmetrize_33(A,phase_lattice(ph))
-         (1.0_pReal &
+    Li = dot_T * A
-               + prm%A(1:3,1:3,1)*(T - prm%T_ref)    / 1.0_pReal &
+
-               + prm%A(1:3,1:3,2)*(T - prm%T_ref)**2 / 2.0_pReal &
-               + prm%A(1:3,1:3,3)*(T - prm%T_ref)**3 / 3.0_pReal &
-         )
   end associate
   dLi_dTstar = 0.0_pReal
 

src/phase_mechanical_elastic.f90

@@ -48,7 +48,7 @@ module subroutine elastic_init(phases)
       prm%C_11 = polynomial(elastic%asDict(),'C_11','T')
       prm%C_12 = polynomial(elastic%asDict(),'C_12','T')
       prm%C_44 = polynomial(elastic%asDict(),'C_44','T')
- 
+
       if (any(phase_lattice(ph) == ['hP','tI'])) then
         prm%C_13 = polynomial(elastic%asDict(),'C_13','T')
         prm%C_33 = polynomial(elastic%asDict(),'C_33','T')
@@ -77,7 +77,7 @@ pure module function elastic_C66(ph,en) result(C66)
 
 
   associate(prm => param(ph))
-    
+
     C66 = 0.0_pReal
     T = thermal_T(ph,en)