simplified API + general polishing

src/constitutive.f90

@@ -164,7 +164,7 @@ subroutine constitutive_init()
  if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init
  if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID))     call plastic_dislotwin_init(FILEUNIT)
- if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID))     call plastic_disloucla_init(FILEUNIT)
+ if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID))     call plastic_disloucla_init
  if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
   call plastic_nonlocal_init(FILEUNIT)
   call plastic_nonlocal_stateInit()
@@ -530,8 +530,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
      call plastic_dislotwin_LpAndItsTangent       (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
 
    case (PLASTICITY_DISLOUCLA_ID) plasticityType
-     call plastic_disloucla_LpAndItsTangent       (Lp,dLp_dMp,Mp, &
+     of = phasememberAt(ipc,ip,el)
-                                                   temperature(ho)%p(tme), ipc,ip,el)
+     instance = phase_plasticityInstance(material_phase(ipc,ip,el))
+     call plastic_disloucla_LpAndItsTangent       (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
 
  end select plasticityType
 

src/plastic_disloUCLA.f90

@@ -25,9 +25,6 @@ module plastic_disloUCLA
  integer(pInt),                       dimension(:),           allocatable,         private :: &
    plastic_disloUCLA_totalNslip                                                                     !< total number of active slip systems for each instance
 
- real(pReal),                         dimension(:),           allocatable,         private :: &
-   plastic_disloUCLA_Qsd                                                                            !< activation energy for dislocation climb
-
 
  real(pReal),                         dimension(:,:,:),       allocatable,         private :: &
    plastic_disloUCLA_forestProjectionEdge                                                           !< matrix of forest projections of edge dislocations for each instance
@@ -51,7 +48,8 @@ module plastic_disloUCLA
      grainSize, &
      SolidSolutionStrength, &  !< Strength due to elements in solid solution
      mu, &
-     D0                                                                          !< prefactor for self-diffusion coefficient
+     D0, &                                                                          !< prefactor for self-diffusion coefficient
+     Qsd                                                                            !< activation energy for dislocation climb
    real(pReal),                 allocatable, dimension(:) :: &
      B, &  !< friction coeff. B (kMC)
      rho0, &                                                                        !< initial edge dislocation density per slip system for each family and instance
@@ -129,7 +127,7 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-subroutine plastic_disloUCLA_init(fileUnit)
+subroutine plastic_disloUCLA_init()
 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
  use, intrinsic :: iso_fortran_env, only: &
    compiler_version, &
@@ -140,8 +138,6 @@ subroutine plastic_disloUCLA_init(fileUnit)
    debug_constitutive,&
    debug_levelBasic
  use math, only: &
-   math_Mandel3333to66, &
-   math_Voigt66to3333, &
    math_mul3x3, &
    math_expand
  use IO, only: &
@@ -162,11 +158,9 @@ material_allocatePlasticState
  use lattice
  
  implicit none
- integer(pInt), intent(in) :: fileUnit
+ integer(pInt) :: maxNinstance,&
-
- integer(pInt) :: maxNinstance,phase,maxTotalNslip,&
                   f,instance,j,k,o, i, &
-                  outputSize, &
+                  outputSize, phase, &
                   offset_slip, index_myFamily, index_otherFamily, &
                   startIndex, endIndex, p
  integer(pInt) :: sizeState, sizeDotState
@@ -197,7 +191,6 @@ material_allocatePlasticState
 
 
  allocate(plastic_disloUCLA_totalNslip(maxNinstance),                          source=0_pInt)
- allocate(plastic_disloUCLA_Qsd(maxNinstance),                                 source=0.0_pReal)
 
  
  allocate(param(maxNinstance))
@@ -250,7 +243,6 @@ do p = 1_pInt, size(phase_plasticityInstance)
      prm%omega   = config_phase(p)%getFloats('omega')
 
      prm%B   = config_phase(p)%getFloats('friction_coeff')
-     !prm%viscosity   = config_phase(p)%getFloats('viscosity')
 
 
      prm%SolidSolutionStrength  = config_phase(p)%getFloat('solidsolutionstrength')
@@ -258,7 +250,7 @@ do p = 1_pInt, size(phase_plasticityInstance)
      prm%grainSize  = config_phase(p)%getFloat('grainsize')
 
      prm%D0 = config_phase(p)%getFloat('d0')
-     plastic_disloUCLA_Qsd(phase_plasticityInstance(p)) = config_phase(p)%getFloat('qsd')
+     prm%Qsd= config_phase(p)%getFloat('qsd')
 
 
      prm%dipoleformation = config_phase(p)%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default
@@ -296,7 +288,6 @@ do p = 1_pInt, size(phase_plasticityInstance)
    else slipActive
      allocate(prm%rho0(0))
      allocate(prm%rhoDip0(0))
-
    endif slipActive
 
 
@@ -491,26 +482,20 @@ end subroutine plastic_disloUCLA_microstructure
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates plastic velocity gradient and its tangent
 !--------------------------------------------------------------------------------------------------
-subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el)
+subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of)
- use material, only: &
-   material_phase, &
-   phase_plasticityInstance, &
-   phaseAt, phasememberAt
  
  implicit none
- integer(pInt), intent(in)                  :: ipc,ip,el
+ integer(pInt), intent(in)                  :: instance, of
  real(pReal), intent(in)                    :: Temperature
  real(pReal), dimension(3,3),   intent(in)    :: Mp
  real(pReal), dimension(3,3), intent(out)   :: Lp
  real(pReal), dimension(3,3,3,3), intent(out)   :: dLp_dMp
 
- integer(pInt) :: instance,of,i,k,l,m,n
+ integer(pInt) :: i,k,l,m,n
 
- real(pReal), dimension(plastic_disloUCLA_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
+ real(pReal), dimension(param(instance)%totalNslip) :: &
    gdot_slip_pos,gdot_slip_neg,tau_slip_pos,tau_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg
    
- of = phasememberAt(ipc,ip,el)
- instance  = phase_plasticityInstance(phaseAt(ipc,ip,el))
  associate(prm => param(instance))
  
  Lp = 0.0_pReal
@@ -551,7 +536,6 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
    temperature                                                                                      !< temperature at integration point
  integer(pInt),              intent(in) :: &
    instance, of
- integer(pInt) :: j
 
  real(pReal) :: &
    VacancyDiffusion
@@ -570,9 +554,9 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
  dot%whole(:,of) = 0.0_pReal
  dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal
 
- VacancyDiffusion = prm%D0*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
+ VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
 
- where(dEq0(tau_slip_pos) .or. (.not. prm%dipoleformation))
+ where(dEq0(tau_slip_pos))
    EdgeDipDistance = mse%mfp(:,of)        !ToDo MD@FR: correct? was not handled properly before
    DotRhoDipFormation = 0.0_pReal
    DotRhoEdgeDipClimb = 0.0_pReal
@@ -706,7 +690,7 @@ math_mul33xx33
 instance,of
 
  integer(pInt) :: &
-   i,j
+   j
  real(pReal) :: StressRatio_p,StressRatio_pminus1,&
                 BoltzmannRatio,DotGamma0,stressRatio,&
                 dvel_slip, vel_slip
@@ -862,6 +846,7 @@ instance,of
    endif significantNegativeTau
  enddo
  end associate
+
 end subroutine kinetics
 
 end module plastic_disloUCLA