added new model by david (LLNL/UCLA)

code/Makefile

@@ -85,7 +85,7 @@ endif
 
 ifneq "$(FASTBUILD)" "YES"
 STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics
-STANDARD_CHECK_gfortran ?=-std=f2008 -pedantic-errors
+STANDARD_CHECK_gfortran ?=-std=f2008ts -pedantic-errors
 endif
 #-std=f2008ts:      for newer gfortran
 #-pedantic:                    more strict on standard, enables some warnings
@@ -316,10 +316,11 @@ THERMAL_FILES = \
 VACANCY_FILES = \
    vacancy_constant.o vacancy_generation.o
 
-CONSTITUTIVE_FILES = \
+PLASTIC_FILES = \
-   plastic_dislotwin.o plastic_dislokmc.o plastic_j2.o plastic_phenopowerlaw.o \
+   plastic_dislotwin.o plastic_disloKMC.o plastic_disloUCLA.o plastic_j2.o plastic_phenopowerlaw.o \
    plastic_titanmod.o plastic_nonlocal.o plastic_none.o constitutive.o
    
+
 HOMOGENIZATION_FILES = \
    homogenization_RGC.o homogenization_isostrain.o homogenization_none.o homogenization.o
 
@@ -335,7 +336,7 @@ DAMASK_spectral.exe: INTERFACENAME   := DAMASK_spectral_interface.f90
 
 SPECTRAL_FILES = prec.o DAMASK_interface.o IO.o libs.o numerics.o debug.o math.o \
                  FEsolving.o mesh.o material.o lattice.o \
-                 $(DAMAGE_FILES) $(THERMAL_FILES) $(VACANCY_FILES) $(CONSTITUTIVE_FILES) \
+                 $(DAMAGE_FILES) $(THERMAL_FILES) $(VACANCY_FILES) $(PLASTIC_FILES) \
                  crystallite.o $(HOMOGENIZATION_FILES) CPFEM.o \
                  DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o \
                  DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o DAMASK_spectral_solverPolarisation.o
@@ -345,6 +346,7 @@ DAMASK_spectral.exe: DAMASK_spectral_driver.o
     -o DAMASK_spectral.exe DAMASK_spectral_driver.o \
     $(SPECTRAL_FILES) $(LIBRARIES) $(LIB_DIRS) $(RUN_PATH) $(SUFFIX)
     
+    
 DAMASK_spectral_driver.o: DAMASK_spectral_driver.f90 DAMASK_spectral_solverBasic.o \
                                                      DAMASK_spectral_solverAL.o \
                                                      DAMASK_spectral_solverBasicPETSc.o \
@@ -378,7 +380,7 @@ DAMASK_FEM.exe: INCLUDE_DIRS    += -I./
 
 FEM_FILES      = prec.o DAMASK_interface.o FEZoo.o IO.o libs.o numerics.o debug.o math.o \
                  FEsolving.o mesh.o material.o lattice.o \
-                 $(DAMAGE_FILES) $(THERMAL_FILES) $(VACANCY_FILES) $(CONSTITUTIVE_FILES) \
+                 $(DAMAGE_FILES) $(THERMAL_FILES) $(VACANCY_FILES) $(PLASTIC_FILES) \
                  crystallite.o $(HOMOGENIZATION_FILES) CPFEM.o \
                  FEM_utilities.o FEM_mech.o FEM_thermal.o FEM_damage.o FEM_vacancyDiffusion.o
 
@@ -434,7 +436,8 @@ constitutive.o:                constitutive.f90 \
                                plastic_nonlocal.o \
                                plastic_titanmod.o \
                                plastic_dislotwin.o \
-                               plastic_dislokmc.o \
+                               plastic_disloKMC.o \
+                               plastic_disloUCLA.o \
                                plastic_phenopowerlaw.o \
                                plastic_j2.o \
                                plastic_none.o \
@@ -448,7 +451,10 @@ plastic_nonlocal.o:       plastic_nonlocal.f90 \
 plastic_titanmod.o:            plastic_titanmod.f90 \
                                lattice.o
 
-plastic_dislokmc.o:       plastic_dislokmc.f90 \
+plastic_disloKMC.o:            plastic_disloKMC.f90 \
+                               lattice.o
+
+plastic_disloUCLA.o:           plastic_disloUCLA.f90 \
                                lattice.o
 
 plastic_dislotwin.o:           plastic_dislotwin.f90 \

code/commercialFEM_fileList.f90

@@ -30,7 +30,8 @@
 #include "plastic_phenopowerlaw.f90"
 #include "plastic_titanmod.f90"
 #include "plastic_dislotwin.f90"
-#include "plastic_dislokmc.f90"
+#include "plastic_disloKMC.f90"
+#include "plastic_disloUCLA.f90"
 #include "plastic_nonlocal.f90"
 #include "constitutive.f90"
 #include "crystallite.f90"

code/config/Phase_DisloUCLA_Tungsten.config

@@ -0,0 +1,48 @@
+[Tungsten]
+elasticity          hooke
+#plasticity          dislotwin
+#plasticity          dislokmc
+plasticity	    disloucla 
+
+### Material parameters ###
+lattice_structure     bcc
+C11                   523.0e9       # From Marinica et al. Journal of Physics: Condensed Matter(2013)
+C12                   202.0e9
+C44                   161.0e9
+
+grainsize             2.7e-5        # Average grain size [m] 2.0e-5
+SolidSolutionStrength 0.0           # Strength due to elements in solid solution
+
+### Dislocation glide parameters ###
+#per family
+Nslip               12           0 
+slipburgers         2.72e-10     2.72e-10       # Burgers vector of slip system [m]
+rhoedge0            1.0e12       1.0e12         # Initial edge dislocation density [m/m**3] 1.0e12
+rhoedgedip0         1.0          1.0            # Initial edged dipole dislocation density [m/m**3]
+Qedge               2.725e-19    2.725e-19      # Activation energy for dislocation glide [J]
+v0                  3693.4       755.59         # Initial glide velocity [m/s] 1.0e-4 (kmC 3693.4 ; 755.59)
+p_slip              0.86         0.22           # p-exponent in glide velocity
+q_slip              1.69         1.01           # q-exponent in glide velocity
+u_slip              2.47         0.38           # u-exponent of stress pre-factor (kmC)                      
+s_slip              0.00         0.50           # self hardening in glide velocity (kmC)
+tau_peierls         2.03e9       2.03e9         # peierls stress [Pa]
+#nonschmid_a1        1.00         1.00           # a1 coeff. non schmid law                                      
+#nonschmid_a2        0.00         0.00           # a2 coeff. non schmid law
+
+#mobility law
+kink_height	    2.567e-10    2.567e-10	# kink height sqrt(6)/3*lattice_parameter [m]	    
+omega		    9.1e11	 9.1e11		# attemp frequency (from kMC paper) [s^(-1)]	    
+kink_width	    29.95e-10    29.95e-10	# kink pair width ~ 11 b (kMC paper) [m]
+dislolength	    78.0e-10	 78.0e-10	# dislocation length (ideally lambda) [m] initial value 25b
+#friction_coeff      8.3e-5       8.3e-5         # friction coeff. B (kMC)  [Pa*s]  
+#
+
+#hardening
+dipoleformationfactor 0         0          # to have hardening due to dipole formation off
+CLambdaSlip         10.0        10.0       # Adj. parameter controlling dislocation mean free path
+D0                  4.0e-5      4.0e-5     # Vacancy diffusion prefactor [m**2/s]
+Qsd                 4.5e-19     4.5e-19    # Activation energy for climb [J]
+Catomicvolume       1.0         1.0        # Adj. parameter controlling the atomic volume [in b]
+Cedgedipmindistance 1.0         1.0        # Adj. parameter controlling the minimum dipole distance [in b]
+interaction_slipslip     0.0625 0.0625 0.72 0.05 0.09 0.06 # Queyreau 
+nonschmid_coefficients   0 0.56 0.75 0 0 0 #??????????????

code/constitutive.f90

@@ -117,6 +117,7 @@ subroutine constitutive_init(temperature_init)
    PLASTICITY_phenopowerlaw_ID, &
    PLASTICITY_dislotwin_ID, &
    PLASTICITY_dislokmc_ID, &
+   PLASTICITY_disloucla_ID, &
    PLASTICITY_titanmod_ID, &
    PLASTICITY_nonlocal_ID ,&
    ELASTICITY_HOOKE_label, &
@@ -125,6 +126,7 @@ subroutine constitutive_init(temperature_init)
    PLASTICITY_PHENOPOWERLAW_label, &
    PLASTICITY_DISLOTWIN_label, &
    PLASTICITY_DISLOKMC_label, &
+   PLASTICITY_DISLOUCLA_label, &
    PLASTICITY_TITANMOD_label, &
    PLASTICITY_NONLOCAL_label, &
    LOCAL_DAMAGE_none_ID, &
@@ -161,6 +163,7 @@ subroutine constitutive_init(temperature_init)
  use plastic_phenopowerlaw
  use plastic_dislotwin
  use plastic_dislokmc
+ use plastic_disloucla
  use plastic_titanmod
  use plastic_nonlocal
  use damage_none
@@ -199,6 +202,7 @@ subroutine constitutive_init(temperature_init)
  if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID))     call plastic_dislotwin_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_DISLOKMC_ID))      call plastic_dislokmc_init(FILEUNIT)
+ if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID))     call plastic_disloucla_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_TITANMOD_ID))      call plastic_titanmod_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
   call plastic_nonlocal_init(FILEUNIT)
@@ -274,6 +278,11 @@ subroutine constitutive_init(temperature_init)
        thisNoutput => plastic_dislokmc_Noutput
        thisOutput => plastic_dislokmc_output
        thisSize   => plastic_dislokmc_sizePostResult
+     case (PLASTICITY_DISLOUCLA_ID)
+       outputName = PLASTICITY_DISLOUCLA_label
+       thisNoutput => plastic_disloucla_Noutput
+       thisOutput => plastic_disloucla_output
+       thisSize   => plastic_disloucla_sizePostResult  
      case (PLASTICITY_TITANMOD_ID)
        outputName = PLASTICITY_TITANMOD_label
        thisNoutput => plastic_titanmod_Noutput
@@ -477,6 +486,7 @@ function constitutive_homogenizedC(ipc,ip,el)
    PLASTICITY_TITANMOD_ID, &
    PLASTICITY_DISLOTWIN_ID, &
    PLASTICITY_DISLOKMC_ID, &
+   PLASTICITY_DISLOUCLA_ID, &
    plasticState,&
    mappingConstitutive
 
@@ -486,6 +496,8 @@ function constitutive_homogenizedC(ipc,ip,el)
    plastic_dislotwin_homogenizedC
  use plastic_dislokmc, only: &
    plastic_dislokmc_homogenizedC
+ use plastic_disloucla, only: &
+   plastic_disloucla_homogenizedC
  use lattice, only: &
    lattice_C66
 
@@ -502,6 +514,8 @@ function constitutive_homogenizedC(ipc,ip,el)
      constitutive_homogenizedC = plastic_dislotwin_homogenizedC(ipc,ip,el)
    case (PLASTICITY_DISLOKMC_ID)
      constitutive_homogenizedC = plastic_dislokmc_homogenizedC(ipc,ip,el) 
+   case (PLASTICITY_DISLOUCLA_ID)
+     constitutive_homogenizedC = plastic_disloucla_homogenizedC(ipc,ip,el)  
    case (PLASTICITY_TITANMOD_ID)
      constitutive_homogenizedC = plastic_titanmod_homogenizedC (ipc,ip,el)
    case default
@@ -569,6 +583,7 @@ subroutine constitutive_microstructure(Tstar_v, Fe, Fp, subdt, ipc, ip, el)
    material_phase, &
    PLASTICITY_dislotwin_ID, &
    PLASTICITY_dislokmc_ID, &
+   PLASTICITY_disloucla_ID, &
    PLASTICITY_titanmod_ID, &
    PLASTICITY_nonlocal_ID, &
    LOCAL_DAMAGE_isoBrittle_ID, &
@@ -586,6 +601,8 @@ subroutine constitutive_microstructure(Tstar_v, Fe, Fp, subdt, ipc, ip, el)
    plastic_dislotwin_microstructure
  use plastic_dislokmc, only: &
    plastic_dislokmc_microstructure
+ use plastic_disloucla, only: &
+   plastic_disloucla_microstructure
  use damage_isoBrittle, only: &
    damage_isoBrittle_microstructure
  use damage_isoDuctile, only: &
@@ -620,6 +637,8 @@ subroutine constitutive_microstructure(Tstar_v, Fe, Fp, subdt, ipc, ip, el)
      call plastic_dislotwin_microstructure(constitutive_getTemperature(ipc,ip,el),ipc,ip,el)
    case (PLASTICITY_DISLOKMC_ID)
      call plastic_dislokmc_microstructure(constitutive_getTemperature(ipc,ip,el),ipc,ip,el)
+   case (PLASTICITY_DISLOUCLA_ID)
+     call plastic_disloucla_microstructure(constitutive_getTemperature(ipc,ip,el),ipc,ip,el)  
    case (PLASTICITY_TITANMOD_ID)
      call plastic_titanmod_microstructure (constitutive_getTemperature(ipc,ip,el),ipc,ip,el)
    case (PLASTICITY_NONLOCAL_ID)
@@ -676,6 +695,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, ipc, ip, el)
    PLASTICITY_PHENOPOWERLAW_ID, &
    PLASTICITY_DISLOTWIN_ID, &
    PLASTICITY_DISLOKMC_ID, &
+   PLASTICITY_DISLOUCLA_ID, &
    PLASTICITY_TITANMOD_ID, &
    PLASTICITY_NONLOCAL_ID
  use plastic_j2, only: &
@@ -689,6 +709,9 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, ipc, ip, el)
  use plastic_dislokmc, only: &
    plastic_dislokmc_LpAndItsTangent, &
    plastic_dislokmc_totalNslip
+ use plastic_disloucla, only: &
+   plastic_disloucla_LpAndItsTangent, &
+   plastic_disloucla_totalNslip
  use plastic_titanmod, only: &
    plastic_titanmod_LpAndItsTangent, &
    plastic_titanmod_totalNslip
@@ -743,6 +766,12 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, ipc, ip, el)
                                            constitutive_getTemperature(ipc,ip,el), &
                                            nSlip,constitutive_getSlipDamage(nSlip,Tstar_v,ipc,ip,el), &
                                            ipc,ip,el)
+   case (PLASTICITY_DISLOUCLA_ID)
+     nSlip = plastic_disloucla_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))
+     call plastic_disloucla_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v, &
+                                           constitutive_getTemperature(ipc,ip,el), &
+                                           nSlip,constitutive_getSlipDamage(nSlip,Tstar_v,ipc,ip,el), &
+                                           ipc,ip,el)  
    case (PLASTICITY_TITANMOD_ID)
      nSlip = plastic_titanmod_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))
      call plastic_titanmod_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v, &
@@ -1130,6 +1159,7 @@ subroutine constitutive_collectDotState(Tstar_v, Lp, FeArray, FpArray, subdt, su
    PLASTICITY_phenopowerlaw_ID, &
    PLASTICITY_dislotwin_ID, &
    PLASTICITY_dislokmc_ID, &
+   PLASTICITY_disloucla_ID, &
    PLASTICITY_titanmod_ID, &
    PLASTICITY_nonlocal_ID, &
    LOCAL_DAMAGE_gurson_ID
@@ -1144,6 +1174,9 @@ subroutine constitutive_collectDotState(Tstar_v, Lp, FeArray, FpArray, subdt, su
  use plastic_dislokmc, only: &
    plastic_dislokmc_dotState, &
    plastic_dislokmc_totalNslip
+ use plastic_disloucla, only: &
+   plastic_disloucla_dotState, &
+   plastic_disloucla_totalNslip
  use plastic_titanmod, only: &
    plastic_titanmod_dotState, &
    plastic_titanmod_totalNslip
@@ -1194,6 +1227,10 @@ subroutine constitutive_collectDotState(Tstar_v, Lp, FeArray, FpArray, subdt, su
      nSlip = plastic_dislokmc_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))
      call plastic_dislokmc_dotState     (Tstar_v,constitutive_getTemperature(ipc,ip,el), &
                                          nSlip,constitutive_getSlipDamage(nSlip,Tstar_v,ipc,ip,el),ipc,ip,el)
+   case (PLASTICITY_DISLOUCLA_ID)
+     nSlip = plastic_disloucla_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))
+     call plastic_disloucla_dotState     (Tstar_v,constitutive_getTemperature(ipc,ip,el), &
+                                         nSlip,constitutive_getSlipDamage(nSlip,Tstar_v,ipc,ip,el),ipc,ip,el)
    case (PLASTICITY_TITANMOD_ID)
      call plastic_titanmod_dotState     (Tstar_v,constitutive_getTemperature(ipc,ip,el), &
                                          ipc,ip,el)
@@ -1827,6 +1864,7 @@ function constitutive_getVacancyMobility33(ipc, ip, el)
    el                                                                                               !< element number
  real(pReal), dimension(3,3) :: &
    constitutive_getVacancyMobility33
+
  integer(pInt) :: &
    nSlip
  
@@ -1895,6 +1933,7 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
    PLASTICITY_PHENOPOWERLAW_ID, &
    PLASTICITY_DISLOTWIN_ID, &
    PLASTICITY_DISLOKMC_ID, &
+   PLASTICITY_DISLOUCLA_ID, &
    PLASTICITY_TITANMOD_ID, &
    PLASTICITY_NONLOCAL_ID, &
    LOCAL_DAMAGE_isoBrittle_ID, &
@@ -1916,6 +1955,8 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
    plastic_dislotwin_postResults
  use plastic_dislokmc, only: &
    plastic_dislokmc_postResults
+ use plastic_disloucla, only: &
+   plastic_disloucla_postResults
  use plastic_titanmod, only: &
    plastic_titanmod_postResults
  use plastic_nonlocal, only: &
@@ -1979,6 +2020,9 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
    case (PLASTICITY_DISLOKMC_ID)
      constitutive_postResults(startPos:endPos) = &
        plastic_dislokmc_postResults(Tstar_v,constitutive_getTemperature(ipc,ip,el),ipc,ip,el)
+   case (PLASTICITY_DISLOUCLA_ID)
+     constitutive_postResults(startPos:endPos) = &
+       plastic_disloucla_postResults(Tstar_v,constitutive_getTemperature(ipc,ip,el),ipc,ip,el)  
    case (PLASTICITY_NONLOCAL_ID)
      constitutive_postResults(startPos:endPos) = &
        plastic_nonlocal_postResults (Tstar_v,FeArray,ip,el)

code/material.f90

@@ -26,6 +26,7 @@ module material
    PLASTICITY_phenopowerlaw_label = 'phenopowerlaw', &
    PLASTICITY_dislotwin_label     = 'dislotwin', &
    PLASTICITY_dislokmc_label      = 'dislokmc', &
+   PLASTICITY_disloucla_label     = 'disloucla', &
    PLASTICITY_titanmod_label      = 'titanmod', &
    PLASTICITY_nonlocal_label      = 'nonlocal', &
    LOCAL_DAMAGE_none_LABEL        = 'none', &
@@ -62,6 +63,7 @@ module material
                  PLASTICITY_phenopowerlaw_ID, &
                  PLASTICITY_dislotwin_ID, &
                  PLASTICITY_dislokmc_ID, &
+                 PLASTICITY_disloucla_ID, &
                  PLASTICITY_titanmod_ID, &
                  PLASTICITY_nonlocal_ID
  end enum
@@ -240,6 +242,7 @@ module material
    PLASTICITY_phenopowerlaw_ID, &
    PLASTICITY_dislotwin_ID, &
    PLASTICITY_dislokmc_ID, &
+   PLASTICITY_disloucla_ID, &
    PLASTICITY_titanmod_ID, &
    PLASTICITY_nonlocal_ID, &
    LOCAL_DAMAGE_none_ID, &
@@ -843,6 +846,8 @@ subroutine material_parsePhase(fileUnit,myPart)
              phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID
            case (PLASTICITY_DISLOKMC_label)
              phase_plasticity(section) = PLASTICITY_DISLOKMC_ID
+           case (PLASTICITY_DISLOUCLA_label)
+             phase_plasticity(section) = PLASTICITY_DISLOUCLA_ID
            case (PLASTICITY_TITANMOD_label)
              phase_plasticity(section) = PLASTICITY_TITANMOD_ID
            case (PLASTICITY_NONLOCAL_label)