Added 'dislocation-type' dependent interactions. Ideal for hexagonal and BCC structures.

code/constitutive_titanmod.f90

@@ -2,6 +2,67 @@
 !************************************
 !*      Module: CONSTITUTIVE        *
 !************************************
+! Parameters for titanium
+! [titanmod]
+! constitution            titanmod
+! (output)                rhoedge
+! (output)                rhoscrew
+! (output)                velocity_edge
+! (output)                velocity_screw
+! (output)                rss_slip
+! (output)                gamma_dot
+! (output)                                resistance_edge
+! (output)                                resistance_screw
+! (output)                                segment_edge
+! (output)                                segment_screw
+! (output)                                total_generation
+! (output)                                total_annihilation
+! (output)                                total_density
+! lattice_structure       hex
+! covera_ratio            1.587
+! c11                     162.2e9
+! c12                     91.8e9
+! c13                     68.8e9
+! c33                     180.5e9
+! c44                     46.7e9
+! nslip                   3 3 6 0               # per family
+! ntwin                   0 0 0 0                # per family
+! rho_edge0                                1.66e9 1.66e9 1.66e9 1.66e9
+! rho_screw0                                1.66e9 1.66e9 1.66e9 1.66e9
+! slipburgers             2.86e-10 2.86e-10 2.86e-10 2.86e-10 # per family
+! twinburgers                                2.86e-10 2.86e-10 2.86e-10 2.86e-10
+! f0                                                3.0e-19 3.0e-19 3.0e-19 3.0e-19
+! v0e                                                1e-1 10e0 1e0 1e0
+! v0s                                                1e-1 1e0 1e0 1e0
+! ndot0                                        1 1 1 1
+! twinsize                                1e-05 5e-05 1e-05 1e-05
+! celambdaslip                        1.0 1.0 1.0 1.0
+! cslambdaslip                        1.0 1.0 1.0 1.0
+! rlengthscrew                        1e-6 1e-6 1e-6 1e-6
+! grainsize                                10e-6
+! maxtwinfraction                        0.7
+! pe                                                0.61 0.45 0.61 0.61
+! ps                                                0.61 0.45 0.61 0.61
+! qe                                                1.40 1.60 1.40 1.40
+! qs                                                1.40 1.60 1.40 1.40
+! rexponent                                0.2 0.2 0.2 0.2
+! d0                                                0.2e-5 0.2e-5 0.2e-5 0.2e-5
+! qsd                                                3.0e-19 3.0e-19 3.0e-19 3.0e-19
+! cmfptwin                                0.5
+! cthresholdtwin                        0.1
+! cedgedipmindistance                50
+! catomicvolume                        10e-15
+! tau0e                   20e6 24e6 47e6 47e6               # per family
+! tau0s                   20e6 24e6 50e6 50e6               # per family
+! capre                   1.6e-9 5.6e-9 10.6e-9 10.6e-9
+! caprs                   10.6e-9 110.6e-9 10.6e-9 10.6e-9
+! #                                                1     2    3          4         5    6    7    8    9    10   11   12   13   14   15   16   17   18   19   20                
+! interactionslipslip     0.15 0.07 0.10 0.10 0.25 0.15 0.15 0.15 0.65 0.15 0.65 0.65 0.65 0.65 0.65 0.15 0.65 0.65 0.65 0.65
+! interactionsliptwin     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
+! interactiontwinslip     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
+! interactiontwintwin     0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
+! relevantRho             1.e1
+
 ! Parameters for aluminum
 ! [alumod]
 ! constitution            titanmod
@@ -190,10 +251,16 @@ real(pReal), dimension(:,:), allocatable ::               constitutive_titanmod_
                                                           constitutive_titanmod_CsLambdaSlipPerSlipFamily, &   ! Adj. parameter for distance between 2 forest dislocations for each slip family and instance
                                                           constitutive_titanmod_CsLambdaSlipPerSlipSystem, &   ! Adj. parameter for distance between 2 forest dislocations for each slip system and instance
                                                           constitutive_titanmod_interactionSlipSlip, &         ! coefficients for slip-slip interaction for each interaction type and instance
-                                                          constitutive_titanmod_interactionSlipTwin, &         ! coefficients for slip-twin interaction for each interaction type and instance
+                                                          constitutive_titanmod_interaction_ee, &                    ! coefficients for e-e interaction for each interaction type and instance
+                                                          constitutive_titanmod_interaction_ss, &               ! coefficients for s-s interaction for each interaction type and instance
+                                                          constitutive_titanmod_interaction_es, &               ! coefficients for e-s-twin interaction for each interaction type and instance
+                                                          constitutive_titanmod_interactionSlipTwin, &         ! coefficients for twin-slip interaction for each interaction type and instance
                                                           constitutive_titanmod_interactionTwinSlip, &         ! coefficients for twin-slip interaction for each interaction type and instance
                                                           constitutive_titanmod_interactionTwinTwin            ! coefficients for twin-twin interaction for each interaction type and instance
 real(pReal),       dimension(:,:,:),       allocatable :: constitutive_titanmod_interactionMatrixSlipSlip, &   ! interaction matrix of the different slip systems for each instance
+                                                          constitutive_titanmod_interactionMatrix_ee, &         ! interaction matrix of e-e for each instance
+                                                          constitutive_titanmod_interactionMatrix_ss, &         ! interaction matrix of s-s for each instance
+                                                          constitutive_titanmod_interactionMatrix_es, &         ! interaction matrix of e-s for each instance
                                                           constitutive_titanmod_interactionMatrixSlipTwin, &   ! interaction matrix of slip systems with twin systems for each instance
                                                           constitutive_titanmod_interactionMatrixTwinSlip, &   ! interaction matrix of twin systems with slip systems for each instance
                                                           constitutive_titanmod_interactionMatrixTwinTwin, &   ! interaction matrix of the different twin systems for each instance                                                          
@@ -228,7 +295,8 @@ integer(pInt), intent(in) :: file
 !* Local variables
 integer(pInt), parameter :: maxNchunks = 21
 integer(pInt), dimension(1+2*maxNchunks) :: positions
-integer(pInt) section,maxNinstance,f,i,j,k,l,m,n,o,p,q,r,s,s1,s2,t1,t2,ns,nt,output,mySize,myStructure,maxTotalNslip,maxTotalNtwin
+integer(pInt) section,maxNinstance,f,i,j,k,l,m,n,o,p,q,r,s,s1,s2,t1,t2,ns,nt,output,mySize,myStructure,maxTotalNslip, &
+maxTotalNtwin
 character(len=64) tag
 character(len=1024) line
 
@@ -351,10 +419,16 @@ constitutive_titanmod_ps_PerSlipFamily = 0.0_pReal
 constitutive_titanmod_qe_PerSlipFamily = 0.0_pReal
 constitutive_titanmod_qs_PerSlipFamily = 0.0_pReal
 allocate(constitutive_titanmod_interactionSlipSlip(lattice_maxNinteraction,maxNinstance)) 
+allocate(constitutive_titanmod_interaction_ee(lattice_maxNinteraction,maxNinstance)) 
+allocate(constitutive_titanmod_interaction_ss(lattice_maxNinteraction,maxNinstance)) 
+allocate(constitutive_titanmod_interaction_es(lattice_maxNinteraction,maxNinstance)) 
 allocate(constitutive_titanmod_interactionSlipTwin(lattice_maxNinteraction,maxNinstance)) 
 allocate(constitutive_titanmod_interactionTwinSlip(lattice_maxNinteraction,maxNinstance)) 
 allocate(constitutive_titanmod_interactionTwinTwin(lattice_maxNinteraction,maxNinstance)) 
 constitutive_titanmod_interactionSlipSlip = 0.0_pReal
+constitutive_titanmod_interaction_ee = 0.0_pReal
+constitutive_titanmod_interaction_ss = 0.0_pReal
+constitutive_titanmod_interaction_ss = 0.0_pReal
 constitutive_titanmod_interactionSlipTwin = 0.0_pReal
 constitutive_titanmod_interactionTwinSlip = 0.0_pReal
 constitutive_titanmod_interactionTwinTwin = 0.0_pReal
@@ -475,7 +549,8 @@ do                                                       ! read thru sections of
        case ('rlengthscrew')
        forall (j = 1:lattice_maxNslipFamily) &
        constitutive_titanmod_rlengthscrew_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j)
-		write(6,*) tag,constitutive_titanmod_rlengthscrew_PerSlipFamily(1,i),constitutive_titanmod_rlengthscrew_PerSlipFamily(2,i), &
+       write(6,*) tag,constitutive_titanmod_rlengthscrew_PerSlipFamily(1,i), &
+         constitutive_titanmod_rlengthscrew_PerSlipFamily(2,i), &
             constitutive_titanmod_rlengthscrew_PerSlipFamily(3,i), constitutive_titanmod_rlengthscrew_PerSlipFamily(4,i)
        case ('ndot0')
               forall (j = 1:lattice_maxNtwinFamily) &
@@ -547,6 +622,18 @@ do                                                       ! read thru sections of
               forall (j = 1:lattice_maxNinteraction) &
                 constitutive_titanmod_interactionSlipSlip(j,i) = IO_floatValue(line,positions,1+j)
                 write(6,*) tag
+       case ('interactionee')
+              forall (j = 1:lattice_maxNinteraction) &
+                constitutive_titanmod_interaction_ee(j,i) = IO_floatValue(line,positions,1+j)
+                write(6,*) tag
+       case ('interactionss')
+              forall (j = 1:lattice_maxNinteraction) &
+                constitutive_titanmod_interaction_ss(j,i) = IO_floatValue(line,positions,1+j)
+                write(6,*) tag
+       case ('interactiones')
+              forall (j = 1:lattice_maxNinteraction) &
+                constitutive_titanmod_interaction_es(j,i) = IO_floatValue(line,positions,1+j)
+                write(6,*) tag
        case ('interactionsliptwin')
               forall (j = 1:lattice_maxNinteraction) &
                 constitutive_titanmod_interactionSlipTwin(j,i) = IO_floatValue(line,positions,1+j)
@@ -655,12 +742,18 @@ constitutive_titanmod_CeLambdaSlipPerSlipSystem = 0.0_pReal
 constitutive_titanmod_CsLambdaSlipPerSlipSystem = 0.0_pReal
 
 allocate(constitutive_titanmod_interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNinstance))
+allocate(constitutive_titanmod_interactionMatrix_ee(maxTotalNslip,maxTotalNslip,maxNinstance))
+allocate(constitutive_titanmod_interactionMatrix_ss(maxTotalNslip,maxTotalNslip,maxNinstance))
+allocate(constitutive_titanmod_interactionMatrix_es(maxTotalNslip,maxTotalNslip,maxNinstance))
 allocate(constitutive_titanmod_interactionMatrixSlipTwin(maxTotalNslip,maxTotalNtwin,maxNinstance))
 allocate(constitutive_titanmod_interactionMatrixTwinSlip(maxTotalNtwin,maxTotalNslip,maxNinstance))
 allocate(constitutive_titanmod_interactionMatrixTwinTwin(maxTotalNtwin,maxTotalNtwin,maxNinstance))
 allocate(constitutive_titanmod_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance))
 allocate(constitutive_titanmod_forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNinstance))
 constitutive_titanmod_interactionMatrixSlipSlip = 0.0_pReal
+constitutive_titanmod_interactionMatrix_ee = 0.0_pReal
+constitutive_titanmod_interactionMatrix_ss = 0.0_pReal
+constitutive_titanmod_interactionMatrix_es = 0.0_pReal
 constitutive_titanmod_interactionMatrixSlipTwin = 0.0_pReal
 constitutive_titanmod_interactionMatrixTwinSlip = 0.0_pReal
 constitutive_titanmod_interactionMatrixTwinTwin = 0.0_pReal
@@ -827,6 +920,30 @@ write(6,*) 'Determining elasticity matrix'
                                                                                 myStructure),i)
    enddo; enddo
 
+   do s1 = 1,constitutive_titanmod_totalNslip(i)
+      do s2 = 1,constitutive_titanmod_totalNslip(i)     
+         constitutive_titanmod_interactionMatrix_ee(s1,s2,i) = &
+         constitutive_titanmod_interaction_ee(lattice_interactionSlipSlip(constitutive_titanmod_slipSystemLattice(s1,i), &
+                                                                                constitutive_titanmod_slipSystemLattice(s2,i), &
+                                                                                myStructure),i)
+   enddo; enddo
+
+   do s1 = 1,constitutive_titanmod_totalNslip(i)
+      do s2 = 1,constitutive_titanmod_totalNslip(i)     
+         constitutive_titanmod_interactionMatrix_ss(s1,s2,i) = &
+         constitutive_titanmod_interaction_ss(lattice_interactionSlipSlip(constitutive_titanmod_slipSystemLattice(s1,i), &
+                                                                                constitutive_titanmod_slipSystemLattice(s2,i), &
+                                                                                myStructure),i)
+   enddo; enddo
+
+   do s1 = 1,constitutive_titanmod_totalNslip(i)
+      do s2 = 1,constitutive_titanmod_totalNslip(i)     
+         constitutive_titanmod_interactionMatrix_es(s1,s2,i) = &
+         constitutive_titanmod_interaction_es(lattice_interactionSlipSlip(constitutive_titanmod_slipSystemLattice(s1,i), &
+                                                                                constitutive_titanmod_slipSystemLattice(s2,i), &
+                                                                                myStructure),i)
+   enddo; enddo
+   
    do s1 = 1,constitutive_titanmod_totalNslip(i)
       do t2 = 1,constitutive_titanmod_totalNtwin(i)     
          constitutive_titanmod_interactionMatrixSlipTwin(s1,t2,i) = &
@@ -928,13 +1045,15 @@ constitutive_titanmod_stateInit(4*ns+2*nt+1:5*ns+2*nt) = segment_screw0
 forall (s = 1:ns) &
 resistance_edge0(s) = &
 constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerSlipSystem(s,myInstance)* &
-sqrt(dot_product((rho_edge0+rho_screw0),constitutive_titanmod_interactionMatrixSlipSlip(1:ns,s,myInstance)))
+sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_ee(1:ns,s,myInstance))+dot_product((rho_screw0), &
+        constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance)))
 constitutive_titanmod_stateInit(5*ns+3*nt+1:6*ns+3*nt) = resistance_edge0
 
 forall (s = 1:ns) &
 resistance_screw0(s) = &
 constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerSlipSystem(s,myInstance)* &
-sqrt(dot_product((rho_edge0+rho_screw0),constitutive_titanmod_interactionMatrixSlipSlip(1:ns,s,myInstance)))
+sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance))+dot_product((rho_screw0), &
+constitutive_titanmod_interactionMatrix_ss(1:ns,s,myInstance)))
 constitutive_titanmod_stateInit(6*ns+3*nt+1:7*ns+3*nt) = resistance_screw0
 
 !* Initialize dependent twin microstructural variables
@@ -1116,15 +1235,19 @@ forall (t = 1:nt) &
 forall (s = 1:ns) &
   state(g,ip,el)%p(5*ns+3*nt+s) = &
     constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerSlipSystem(s,myInstance)*&
-    sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns+1:2*ns)),&
+    sqrt(dot_product((state(g,ip,el)%p(1:ns)),&
-	                 constitutive_titanmod_interactionMatrixSlipSlip(1:ns,s,myInstance)))
+                         constitutive_titanmod_interactionMatrix_ee(1:ns,s,myInstance))+ &
+                      dot_product((state(g,ip,el)%p(ns+1:2*ns)),&
+                         constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance)))
 
 !* threshold stress or slip resistance for screw dislocation motion
 forall (s = 1:ns) &
   state(g,ip,el)%p(6*ns+3*nt+s) = &
     constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerSlipSystem(s,myInstance)*&
-    sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns+1:2*ns)),&
+    sqrt(dot_product((state(g,ip,el)%p(1:ns)),&
-	                 constitutive_titanmod_interactionMatrixSlipSlip(1:ns,s,myInstance)))
+                         constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance))+ &
+                        dot_product((state(g,ip,el)%p(ns+1:2*ns)),&
+                         constitutive_titanmod_interactionMatrix_ss(1:ns,s,myInstance)))
                                          
 !* threshold stress for growing twin
 forall (t = 1:nt) &
@@ -1298,7 +1421,8 @@ do f = 1,lattice_maxNslipFamily                                 ! loop over all
         + constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(ns+j)* &
                 constitutive_titanmod_v0e_PerSlipSystem(j,myInstance))
 
-	 edge_velocity(j) =constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)*exp(-BoltzmannRatio*(minusStressRatio_edge_p)** &
+         edge_velocity(j) =constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)*exp(-BoltzmannRatio* &
+        (minusStressRatio_edge_p)** &
         constitutive_titanmod_qe_PerSlipSystem(j,myInstance))
 
         screw_velocity(j) =screwvelocity_kink_prefactor * constitutive_titanmod_v0s_PerSlipSystem(j,myInstance)* &
@@ -1470,7 +1594,8 @@ real(pReal) sumf,StressRatio_edge_p,minusStressRatio_edge_p,StressRatio_pminus1,
 real(pReal), dimension(constitutive_titanmod_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
 gdot_slip,tau_slip,DotRhoEdgeGeneration,EdgeDipDistance,DotRhoEdgeAnnihilation,DotRhoScrewAnnihilation,&
 ClimbVelocity,DotRhoScrewGeneration, edge_segment, screw_segment,edge_velocity,screw_velocity
-real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_constitutionInstance(material_phase(g,ip,el)))) :: gdot_twin,tau_twin
+real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_constitutionInstance(material_phase(g,ip,el)))) :: gdot_twin, &
+tau_twin
    
 !* Shortened notation
 myInstance  = phase_constitutionInstance(material_phase(g,ip,el))
@@ -1557,7 +1682,8 @@ forall (s = 1:ns) &
 !             edge_velocity(j) = 0.0_pReal
 !             screw_velocity(j) = 0.0_pReal
 !         else          
-	    edge_velocity(j) =constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)*exp(-BoltzmannRatio*(minusStressRatio_edge_p)** &
+            edge_velocity(j) =constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)*exp(-BoltzmannRatio* &
+              (minusStressRatio_edge_p)** &
             constitutive_titanmod_qe_PerSlipSystem(j,myInstance))
             screw_velocity(j) =screwvelocity_kink_prefactor* constitutive_titanmod_v0s_PerSlipSystem(j,myInstance)* &
                 exp(-BoltzmannRatio*(minusStressRatio_screw_p)** &