Grain boundary elements for nucleation code
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achalhp
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46da81c77d
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117135de08
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@ -110,12 +110,12 @@ submodule(phase) mechanical
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dLp_dFi !< derivative of Lp with respect to Fi
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end subroutine plastic_LpAndItsTangents
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module subroutine plastic_KinematicJump(ph, en, Jump_occurr,deltaFp)
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module subroutine plastic_KinematicJump(ph, en, twinJump,deltaFp)
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integer, intent(in) :: &
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ph, &
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en
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logical , intent(out) :: &
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Jump_occurr
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twinJump
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real(pReal), dimension(3,3), intent(out) :: &
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deltaFp
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end subroutine plastic_KinematicJump
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@ -1019,7 +1019,7 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(status)
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formerStep
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integer :: &
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ph, en, sizeDotState, o, sd
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logical :: todo, FpJumped
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logical :: todo, twinJump
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real(pREAL) :: stepFrac,step
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real(pREAL), dimension(3,3) :: &
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Fp0, &
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@ -1052,24 +1052,25 @@ module function phase_mechanical_constitutive(Delta_t,co,ce) result(status)
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! achal calling Kinematic DeltaFp here
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!** Starting to implement changes for accommodating large shear and reorientation caused by twinning**
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!if(.not. FpJumped .and. NiterationStressLp>1) then !Achal: Reason for this if statement?
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call plastic_KinematicJump(ph, en, FpJumped,deltaFp)
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!if(FpJumped) write(6,*) 'element jumped', en
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!if(FpJumped) then
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!Fp0 = matmul(deltaFp,phase_mechanical_Fp0(ph)%data(1:3,1:3,en))
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call plastic_KinematicJump(ph, en, twinJump, deltaFp)
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if(twinJump) then
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write(6,*) 'element jumped', deltaFp
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write(6,*)'element',en
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Fp0 = matmul(deltaFp,phase_mechanical_Fp0(ph)%data(1:3,1:3,en))
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o = plasticState(ph)%offsetDeltaState
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sd = plasticState(ph)%sizeDeltaState
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!update current state by jump
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!plasticState(ph)%state(o+1:o+sd,en) = plasticState(ph)%state(o+1:o+sd,en) &
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!+ plasticState(ph)%deltaState(o+1:o+sd,en)
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plasticState(ph)%state(o+1:o+sd,en) = plasticState(ph)%state(o+1:o+sd,en) &
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+ plasticState(ph)%deltaState(o+1:o+sd,en)
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!store jumped state as initial value for next iteration
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!plasticState(ph)%state0(o+1:o+sd,en) = plasticState(ph)%state(o+1:o+sd,en)
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!store jumped state as initial value for for substate, partitioned state as well
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!endif
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endif
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if (status == STATUS_OK) then
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formerStep = step
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@ -473,20 +473,20 @@ end function plastic_active
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!3) -(last sampled volume fraction) to restart sampling
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!4) logical true if twinning possible/needed, false if not occurring/not needed
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_KinematicJump(ph, en, Jump_occurr,deltaFp)
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subroutine plastic_KinematicJump(ph, en, twinJump,deltaFp)
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integer, intent(in) :: &
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ph, &
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en
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logical , intent(out) :: &
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Jump_occurr
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twinJump
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real(pReal), dimension(3,3), intent(out) :: &
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deltaFp
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plasticType: select case (mechanical_plasticity_type(ph))
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case (MECHANICAL_PLASTICITY_PHENOPOWERLAW) plasticType
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call plastic_kinematic_deltaFp(ph,en, Jump_occurr,deltaFp)
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call plastic_kinematic_deltaFp(ph,en, twinJump,deltaFp)
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end select plasticType
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@ -5,6 +5,22 @@
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!> @brief phenomenological crystal plasticity formulation using a powerlaw fitting
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!--------------------------------------------------------------------------------------------------
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submodule(phase:plastic) phenopowerlaw
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use geometry_plastic_nonlocal, only: &
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nCellNeighbors => geometry_plastic_nonlocal_nIPneighbors, &
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IPneighborhood => geometry_plastic_nonlocal_IPneighborhood, &
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IPvolume0 => geometry_plastic_nonlocal_IPvolume0, &
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IParea0 => geometry_plastic_nonlocal_IParea0, &
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IPareaNormal0 => geometry_plastic_nonlocal_IPareaNormal0, &
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geometry_plastic_nonlocal_disable
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type :: tGeometry
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real(pREAL), dimension(:), allocatable :: v_0
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real(pREAL), dimension(:,:), allocatable :: a_0, x_0
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real(pREAL), dimension(:,:,:), allocatable :: n_0
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integer, dimension(:,:,:), allocatable :: IPneighborhood
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end type tGeometry
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type(tGeometry), dimension(:), allocatable :: geom
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type :: tParameters
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real(pREAL), allocatable, dimension(:) :: &
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@ -114,6 +130,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
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phases => config_material%get_dict('phase')
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allocate(geom(phases%length))
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allocate(param(phases%length))
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allocate(indexDotState(phases%length))
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allocate(state(phases%length))
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@ -271,6 +288,13 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
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call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState)
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deallocate(plasticState(ph)%dotState) ! ToDo: remove dotState completely
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allocate(geom(ph)%v_0(Nmembers))
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allocate(geom(ph)%a_0(nCellNeighbors,Nmembers))
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allocate(geom(ph)%x_0(3,Nmembers))
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allocate(geom(ph)%n_0(3,nCellNeighbors,Nmembers))
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allocate(geom(ph)%IPneighborhood(3,nCellNeighbors,Nmembers))
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call storeGeometry(ph)
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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startIndex = 1
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@ -382,13 +406,13 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
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+ ddot_gamma_dtau_sl(i) * prm%P_sl(k,l,i) * P_nS(m,n,i)
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end do slipSystems
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call kinetics_tw(Mp,ph,en,dot_gamma_tw,fdot_twin, ddot_gamma_dtau_tw)
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twinSystems: do i = 1, prm%sum_N_tw
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Lp = Lp + dot_gamma_tw(i)*prm%P_tw(1:3,1:3,i)
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
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+ ddot_gamma_dtau_tw(i)*prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
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end do twinSystems
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!call kinetics_tw(Mp,ph,en,dot_gamma_tw,fdot_twin, ddot_gamma_dtau_tw)
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!twinSystems: do i = 1, prm%sum_N_tw
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! Lp = Lp + dot_gamma_tw(i)*prm%P_tw(1:3,1:3,i)
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! forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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! dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
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! + ddot_gamma_dtau_tw(i)*prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
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!end do twinSystems
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end associate
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@ -471,16 +495,12 @@ module subroutine plastic_phenopowerlaw_deltaState(ph,en)
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twin_var = maxloc(stt%f_twin(:,en),dim=1)
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!write(6,*)'twin_var',twin_var
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call plastic_kinematic_deltaFp(ph,en,twinJump,deltaFp)
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!write(6,*)'twinJump',twinJump
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if(twinJump) then
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!write(6,*)'el',en
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!write(6,*)'twinJump',en
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dlt%f_twin(:,en) = 0.0_pReal - stt%f_twin(:,en)
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dlt%fmc_twin(:,en) = 0.0_pReal - stt%fmc_twin(:,en)
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dlt%frozen(en) = 1.0_pReal - stt%frozen(en)
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write(6,*)'frozen',en,dlt%frozen(en),stt%frozen(en)
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dlt%variant_twin(en) = twin_var !- stt%variant_twin(en)
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endif
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@ -505,9 +525,9 @@ module subroutine plastic_kinematic_deltaFp(ph,en,twinJump,deltaFp)
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integer :: &
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n, & ! neighbor index
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neighbor_e, & ! element index of my neighbor
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neighbor_i, & ! integration point index of my neighbor
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neighbor_me, &
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neighbor_phase
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neighbor_ip, & ! integration point index of my neighbor
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neighbor_en, &
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neighbor_ph
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real(pREAL) :: &
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random, &
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@ -525,25 +545,48 @@ module subroutine plastic_kinematic_deltaFp(ph,en,twinJump,deltaFp)
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associate(prm => param(ph), stt => state(ph), dlt => deltastate(ph))
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twin_var = maxloc(stt%f_twin(:,en),dim=1)
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!write(6,*) 'neighbor_el', geom(ph)%IPneighborhood(1,1,512)
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!write(6,*) 'neighbor_el', geom(ph)%IPneighborhood(1,2,512)
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!write(6,*) 'neighbor_el', geom(ph)%IPneighborhood(1,3,512)
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!write(6,*) 'neighbor_el', geom(ph)%IPneighborhood(1,4,512)
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!write(6,*) 'neighbor_el', geom(ph)%IPneighborhood(1,5,512)
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!write(6,*) 'neighbor_el', geom(ph)%IPneighborhood(1,6,512)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,321)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,69)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,247)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,142)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,426)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,358)
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!write(6,*) 'material_ID_phase', material_entry_phase(1,214)
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!neighborloop1: do n = 1, ncellneighbors
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! neighbor_e = geom(ph)%IPneighborhood(1,n,en)
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! neighbor_ip = geom(ph)%IPneighborhood(1,n,en)
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! neighbor_ph = material_ID_phase(1,(neighbor_e-1)*discretization_nIPs + neighbor_ip)
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! neighbor_en = material_entry_phase(1,(neighbor_e-1)*discretization_nIPs + neighbor_ip)
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!write(6,*)'twinned neighbors', stt%variant_twin(neighbor_e)
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!end do neighborloop1
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call random_number(random)
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Ability_Nucleation: if(stt%f_twin(twin_var,en)>(stt%fmc_twin(twin_var,en)+prm%checkstep(twin_var))) then
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stt%fmc_twin(twin_var,en) = stt%fmc_twin(twin_var,en)+prm%checkstep(twin_var)
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Success_Nucleation: if (random <= stt%f_twin(twin_var,en)) then ! Instead of sum take max
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write(6,*)'element twinned',en,'random',random,'variant',twin_var,'volume fraction', stt%f_twin(twin_var,en)
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twinJump = .true.
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deltaFp = prm%CorrespondenceMatrix(:,:,twin_var)
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!write(6,*) twinJump
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!dlt%f_twin(:,en) = 0.0_pReal - stt%f_twin(:,en)
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!dlt%fmc_twin(:,en) = 0.0_pReal - stt%fmc_twin(:,en)
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!dlt%frozen(en) = 1.0_pReal - stt%frozen(en)
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!write(6,*)'frozen',en,dlt%frozen(en),stt%frozen(en)
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!dlt%variant_twin(en) = twin_var !- stt%variant_twin(en) ! Achal LHS is real, RHS integer ! why this equation?
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endif Success_Nucleation
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do n = 1, ncellneighbors
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neighbor_e = geom(ph)%IPneighborhood(1,n,en)
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endif Ability_Nucleation
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if (any(dNeq(phase_O_0(ph)%data(en)%asQuaternion(),phase_O_0(ph)%data(neighbor_e)%asQuaternion()))) then
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Ability_Nucleation: if(stt%f_twin(twin_var,en)>(stt%fmc_twin(twin_var,en)+prm%checkstep(twin_var))) then
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stt%fmc_twin(twin_var,en) = stt%fmc_twin(twin_var,en)+prm%checkstep(twin_var)
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Success_Nucleation: if (random <= stt%f_twin(twin_var,en)) then
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twinJump = .true.
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deltaFp = prm%CorrespondenceMatrix(:,:,twin_var)
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!write(6,*)'en',en
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!write(6,*)twinJump
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endif Success_Nucleation
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endif Ability_Nucleation
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endif
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end do
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end associate
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@ -700,4 +743,37 @@ pure subroutine kinetics_tw(Mp,ph,en,&
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end subroutine kinetics_tw
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine storeGeometry(ph)
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integer, intent(in) :: ph
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integer :: ce, nCell
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real(pREAL), dimension(:), allocatable :: v_0
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real(pREAL), dimension(:,:), allocatable :: a_0, x_0
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real(pREAL), dimension(:,:,:), allocatable :: n_0
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integer, dimension(:,:,:), allocatable :: neighborhood
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nCell = product(shape(IPVolume0))
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v_0 = reshape(IPVolume0,[nCell])
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a_0 = reshape(IPArea0,[nCellNeighbors,nCell])
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x_0 = reshape(discretization_IPcoords,[3,nCell])
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n_0 = reshape(IPAreaNormal0,[3,nCellNeighbors,nCell])
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neighborhood = reshape(IPneighborhood,[3,nCellNeighbors,nCell])
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do ce = 1, size(material_entry_homogenization,1)
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if (material_ID_phase(1,ce) == ph) then
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geom(ph)%v_0(material_entry_phase(1,ce)) = v_0(ce)
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geom(ph)%a_0(:,material_entry_phase(1,ce)) = a_0(:,ce)
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geom(ph)%x_0(:,material_entry_phase(1,ce)) = x_0(:,ce)
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geom(ph)%n_0(:,:,material_entry_phase(1,ce)) = n_0(:,:,ce)
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geom(ph)%IPneighborhood(:,:,material_entry_phase(1,ce)) = neighborhood(:,:,ce)
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end if
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end do
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end subroutine storeGeometry
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end submodule phenopowerlaw
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