Merge branch 'temperature-direct' into 'development'

use data from other physics directly

See merge request damask/DAMASK!485

src/phase.f90

@@ -155,7 +155,7 @@ module phase
       real(pReal), dimension(3,3) :: P
     end function phase_P
 
-    module function thermal_T(ph,en) result(T)
+    pure module function thermal_T(ph,en) result(T)
       integer, intent(in) :: ph,en
       real(pReal) :: T
     end function thermal_T

src/phase_mechanical_plastic.f90

@@ -73,47 +73,37 @@ submodule(phase:mechanical) plastic
         en
     end subroutine kinehardening_LpAndItsTangent
 
-    module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
+    module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
       real(pReal), dimension(3,3),     intent(out) :: &
         Lp
       real(pReal), dimension(3,3,3,3), intent(out) :: &
         dLp_dMp
-
       real(pReal), dimension(3,3),     intent(in) :: &
         Mp
-      real(pReal),                     intent(in) :: &
-        T
       integer,                         intent(in) :: &
         ph, &
         en
     end subroutine dislotwin_LpAndItsTangent
 
-    pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
+    pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
       real(pReal), dimension(3,3),     intent(out) :: &
         Lp
       real(pReal), dimension(3,3,3,3), intent(out) :: &
         dLp_dMp
-
       real(pReal), dimension(3,3),     intent(in) :: &
         Mp
-      real(pReal),                     intent(in) :: &
-        T
       integer,                         intent(in) :: &
         ph, &
         en
     end subroutine dislotungsten_LpAndItsTangent
 
-    module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
+    module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
-                                                       Mp,Temperature,ph,en)
       real(pReal), dimension(3,3),     intent(out) :: &
         Lp
       real(pReal), dimension(3,3,3,3), intent(out) :: &
         dLp_dMp
-
       real(pReal), dimension(3,3),     intent(in) :: &
         Mp                                                                                          !< Mandel stress
-      real(pReal),                     intent(in) :: &
-        Temperature
       integer,                         intent(in) :: &
         ph, &
         en
@@ -282,13 +272,13 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
         call kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
 
       case (PLASTIC_NONLOCAL_ID) plasticType
-        call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
+        call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
 
       case (PLASTIC_DISLOTWIN_ID) plasticType
-        call dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
+        call dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
 
       case (PLASTIC_DISLOTUNGSTEN_ID) plasticType
-        call dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
+        call dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
 
     end select plasticType
 

src/phase_mechanical_plastic_dislotungsten.f90

@@ -257,27 +257,27 @@ end function plastic_dislotungsten_init
 !> @brief Calculate plastic velocity gradient and its tangent.
 !--------------------------------------------------------------------------------------------------
 pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
-                                                     Mp,T,ph,en)
+                                                     Mp,ph,en)
   real(pReal), dimension(3,3),     intent(out) :: &
     Lp                                                                                              !< plastic velocity gradient
   real(pReal), dimension(3,3,3,3), intent(out) :: &
     dLp_dMp                                                                                         !< derivative of Lp with respect to the Mandel stress
-
   real(pReal), dimension(3,3), intent(in) :: &
     Mp                                                                                              !< Mandel stress
-  real(pReal),                 intent(in) :: &
-    T                                                                                               !< temperature
   integer,                     intent(in) :: &
     ph, &
     en
 
   integer :: &
     i,k,l,m,n
+  real(pReal) :: &
+    T                                                                                               !< temperature
   real(pReal), dimension(param(ph)%sum_N_sl) :: &
     dot_gamma_pos,dot_gamma_neg, &
     ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
 
 
+  T = thermal_T(ph,en)
   Lp = 0.0_pReal
   dLp_dMp = 0.0_pReal
 

src/phase_mechanical_plastic_dislotwin.f90

@@ -476,18 +476,18 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
     C66_tw, &
     C66_tr
   integer :: i
-  real(pReal) :: f_unrotated
+  real(pReal) :: f_matrix
 
 
   C = elastic_C66(ph,en)
 
   associate(prm => param(ph), stt => state(ph))
 
-    f_unrotated = 1.0_pReal &
+    f_matrix = 1.0_pReal &
              - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
              - sum(stt%f_tr(1:prm%sum_N_tr,en))
 
-    homogenizedC = f_unrotated * C
+    homogenizedC = f_matrix * C
 
     twinActive: if (prm%sum_N_tw > 0) then
       C66_tw    = lattice_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph))
@@ -513,20 +513,20 @@ end function plastic_dislotwin_homogenizedC
 !--------------------------------------------------------------------------------------------------
 !> @brief Calculate plastic velocity gradient and its tangent.
 !--------------------------------------------------------------------------------------------------
-module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
+module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
 
   real(pReal), dimension(3,3),     intent(out) :: Lp
   real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
   real(pReal), dimension(3,3),     intent(in)  :: Mp
   integer,                         intent(in)  :: ph,en
-  real(pReal),                     intent(in)  :: T
 
   integer :: i,k,l,m,n
   real(pReal) :: &
-     f_unrotated,StressRatio_p,&
+    f_matrix,StressRatio_p,&
     E_kB_T, &
     ddot_gamma_dtau, &
-     tau
+    tau, &
+    T
   real(pReal), dimension(param(ph)%sum_N_sl) :: &
     dot_gamma_sl,ddot_gamma_dtau_sl
   real(pReal), dimension(param(ph)%sum_N_tw) :: &
@@ -556,15 +556,17 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
          0, 1, 1  &
          ],pReal),[ 3,6])
 
-  associate(prm => param(ph), stt => state(ph))
-
-  f_unrotated = 1.0_pReal &
-              - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
-              - sum(stt%f_tr(1:prm%sum_N_tr,en))
 
+  T = thermal_T(ph,en)
   Lp = 0.0_pReal
   dLp_dMp = 0.0_pReal
 
+  associate(prm => param(ph), stt => state(ph))
+
+    f_matrix = 1.0_pReal &
+             - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
+             - sum(stt%f_tr(1:prm%sum_N_tr,en))
+
     call kinetics_sl(Mp,T,ph,en,dot_gamma_sl,ddot_gamma_dtau_sl)
     slipContribution: do i = 1, prm%sum_N_sl
       Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
@@ -589,8 +591,8 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
                          + ddot_gamma_dtau_tr(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
     end do transContibution
 
-  Lp      = Lp      * f_unrotated
+    Lp      = Lp      * f_matrix
-  dLp_dMp = dLp_dMp * f_unrotated
+    dLp_dMp = dLp_dMp * f_matrix
 
     shearBandingContribution: if (dNeq0(prm%v_sb)) then
 
@@ -638,7 +640,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
 
   integer :: i
   real(pReal) :: &
-    f_unrotated, &
+    f_matrix, &
     d_hat, &
     v_cl, &                                                                                         !< climb velocity
     tau, &
@@ -661,7 +663,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
     mu = elastic_mu(ph,en)
     nu = elastic_nu(ph,en)
 
-    f_unrotated = 1.0_pReal &
+    f_matrix = 1.0_pReal &
              - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
              - sum(stt%f_tr(1:prm%sum_N_tr,en))
 
@@ -709,10 +711,10 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
                       - dot_rho_dip_climb
 
     call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw)
-    dot%f_tw(:,en) = f_unrotated*dot_gamma_tw/prm%gamma_char
+    dot%f_tw(:,en) = f_matrix*dot_gamma_tw/prm%gamma_char
 
     call kinetics_tr(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tr)
-    dot%f_tr(:,en) = f_unrotated*dot_gamma_tr
+    dot%f_tr(:,en) = f_matrix*dot_gamma_tr
 
   end associate
 

src/phase_mechanical_plastic_nonlocal.f90

@@ -741,7 +741,7 @@ end subroutine nonlocal_dependentState
 !> @brief calculates plastic velocity gradient and its tangent
 !--------------------------------------------------------------------------------------------------
 module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
-                                                   Mp,Temperature,ph,en)
+                                                   Mp,ph,en)
   real(pReal), dimension(3,3), intent(out) :: &
     Lp                                                                                              !< plastic velocity gradient
   real(pReal), dimension(3,3,3,3), intent(out) :: &
@@ -749,9 +749,6 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
   integer, intent(in) :: &
     ph, &
     en
-  real(pReal), intent(in) :: &
-    Temperature                                                                                     !< temperature
-
   real(pReal), dimension(3,3), intent(in) :: &
     Mp
                                                                                                     !< derivative of Lp with respect to Mp
@@ -771,6 +768,13 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
   real(pReal), dimension(param(ph)%sum_N_sl) :: &
     tau, &                                                                                          !< resolved shear stress including backstress terms
     dot_gamma                                                                                       !< shear rate
+  real(pReal) :: &
+    Temperature                                                                                     !< temperature
+
+
+  Temperature = thermal_T(ph,en)
+  Lp = 0.0_pReal
+  dLp_dMp = 0.0_pReal
 
   associate(prm => param(ph),dst=>dependentState(ph),stt=>state(ph))
 
@@ -820,8 +824,6 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
 
     dot_gamma = sum(rhoSgl(:,1:4) * v, 2) * prm%b_sl
 
-  Lp = 0.0_pReal
-  dLp_dMp = 0.0_pReal
     do s = 1,prm%sum_N_sl
       Lp = Lp + dot_gamma(s) * prm%P_sl(1:3,1:3,s)
       forall (i=1:3,j=1:3,k=1:3,l=1:3) &
@@ -871,6 +873,7 @@ module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
     dUpperOld, &                                                                                    ! old maximum stable dipole distance for edges and screws
     deltaDUpper                                                                                     ! change in maximum stable dipole distance for edges and screws
 
+
   associate(prm => param(ph),dst => dependentState(ph),del => deltaState(ph))
 
   mu = elastic_mu(ph,en)
@@ -1394,6 +1397,7 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
     belowThreshold
   type(rotation) :: mis
 
+
   associate(prm => param(ph))
     ns = prm%sum_N_sl
 
@@ -1646,11 +1650,13 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, T,
     criticalStress_P, &                                                                             !< maximum obstacle strength
     criticalStress_S                                                                                !< maximum obstacle strength
 
-  associate(prm => param(ph))
+
   v = 0.0_pReal
   dv_dtau = 0.0_pReal
   dv_dtauNS = 0.0_pReal
 
+  associate(prm => param(ph))
+
     do s = 1,prm%sum_N_sl
       if (abs(tau(s)) > tauThreshold(s)) then
 

src/phase_thermal.f90

@@ -271,7 +271,7 @@ end subroutine thermal_forward
 !----------------------------------------------------------------------------------------------
 !< @brief Get temperature (for use by non-thermal physics)
 !----------------------------------------------------------------------------------------------
-module function thermal_T(ph,en) result(T)
+pure module function thermal_T(ph,en) result(T)
 
   integer, intent(in) :: ph, en
   real(pReal) :: T