nucleation at boundary
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achalhp
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872228dd47
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b26e60b28f
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@ -287,6 +287,7 @@ do ph = 1, phases%length
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allocate(geom(ph)%IPareaNormal(3,nIPneighbors,Nmembers))
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allocate(geom(ph)%IParea(nIPneighbors,Nmembers))
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allocate(geom(ph)%IPcoordinates(3,Nmembers))
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call storeGeometry(ph)
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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@ -500,16 +501,16 @@ real(pReal), dimension(3,3), intent(out) :: &
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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_e, neighbor_e1, & ! 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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real(pReal) :: &
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random, &
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random, random1, &
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nRealNeighbors !Achal number of really existing neighbors
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integer :: &
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twin_var
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twin_var, var_growth
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
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fdot_twin
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
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@ -520,19 +521,10 @@ deltaFp = math_I3
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!* loop through my neighborhood and get the connection vectors (in lattice frame) and the excess densities !Achal
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associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dlt => deltastate(ph))
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associate(prm => param(ph), stt => state(ph), dlt => deltastate(ph))
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nRealNeighbors = 0.0_pReal !Achal
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neighbors: do n = 1,nIPneighbors
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neighbor_e = geom(ph)%IPneighborhood(1,n,en)
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!write(6,*) 'neighbor_e', neighbor_e
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neighbor_i = geom(ph)%IPneighborhood(2,n,en)
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neighbor_me = material_phaseEntry(1,(neighbor_e-1)*discretization_nIPs + neighbor_i) !Neighbour offset
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neighbor_phase = material_phaseID(1,(neighbor_e-1)*discretization_nIPs + neighbor_i)
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enddo neighbors
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!tau_tw = [(math_tensordot(Mp,prm%P_tw(1:3,1:3,i)),i=1,prm%sum_N_tw)]
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!twin_var = maxloc((0.05_pReal*(abs(tau_tw)/stt%xi_tw(:,en))**prm%n_tw)/prm%gamma_char,dim=1) ! This prints values from 1 to 6, fdot0_twin is taken as 0.05
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twin_var = maxloc(stt%f_twin(:,en),dim=1)
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@ -544,23 +536,55 @@ associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dlt => deltas
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call RANDOM_NUMBER(random)
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call RANDOM_NUMBER(random1)
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!write(6,*)'random',random !delete this
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!if (en==1) write(6,*)'f_twin', stt%f_twin(:,en)
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Ability_Nucleation: if(stt%f_twin(twin_var,en)>(stt%fmc_twin(twin_var,en)+prm%checkstep)) then
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stt%fmc_twin(twin_var,en) = stt%fmc_twin(twin_var,en)+prm%checkstep
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neighbors: do n = 1,nIPneighbors
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neighbor_e = geom(ph)%IPneighborhood(1,n,en)
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Success_Nucleation: if (random <= stt%f_twin(twin_var,en)) then ! Instead of sum take max
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twinJump = .true.
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deltaFp = prm%CorrespondanceMatrix(:,:,twin_var)
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write(6,*)'deltaFp',deltaFp,'element',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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dlt%variant_twin(en) = twin_var - stt%variant_twin(en) ! Achal LHS is real, RHS integer ! why this equation?
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end if Success_Nucleation
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if (any(dNeq(phase_O_0(ph)%data(en)%asQuaternion(), &
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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)) then
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stt%fmc_twin(twin_var,en) = stt%fmc_twin(twin_var,en)+prm%checkstep
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Success_Nucleation: if (random <= stt%f_twin(twin_var,en)) then ! Instead of sum take max
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twinJump = .true.
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deltaFp = prm%CorrespondanceMatrix(:,:,twin_var)
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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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dlt%variant_twin(en) = twin_var !- stt%variant_twin(en) ! Achal LHS is real, RHS integer ! why this equation?
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!write(6,*)'variant_twin',stt%variant_twin(en),'element',en,'frozen',stt%frozen(en)
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end if Success_Nucleation
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endif Ability_Nucleation
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endif
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enddo neighbors
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NeighborLoop: do n = 1,nIPneighbors
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neighbor_e1 = geom(ph)%IPneighborhood(1,n,en)
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if(stt%variant_twin(neighbor_e1)>0) then !< Check if neighbor is twinned
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var_growth = stt%variant_twin(neighbor_e1)
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exit NeighborLoop
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endif
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enddo NeighborLoop
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Growth_Criteria: if(var_growth>0) then !< If neighbor twinned,
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!Ability_Growth: if(stt%f_twin(twin_var,en)>(stt%fmc_twin(twin_var,en)+prm%checkstep(twin_var))) then !< Frequency control
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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_Growth: if (random1 <= stt%f_twin(twin_var,en)) then !< Random sampling
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twinJump = .true. !< Output flag
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deltaFp = prm%CorrespondanceMatrix(:,:,twin_var) !< Correspondence Matrix
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endif Success_Growth
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!endif Ability_Growth
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endif Growth_Criteria
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endif Ability_Nucleation
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end associate
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@ -577,12 +601,14 @@ integer, intent(in)::&
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ph, &
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en
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! These are updated at every strain increment. What should these initilizations be?
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associate(dlt => deltastate(ph))
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dlt%f_twin(:,en) = 0.0_pReal
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dlt%fmc_twin(:,en) = 0.0_pReal
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!dlt%variant_twin(en) = 1.0_pReal
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!dlt%frozen(en) = 1.0_pReal
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!dlt%variant_twin(en) = 0.0_pReal
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!dlt%frozen(en) = 0.0_pReal
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end associate
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@ -746,6 +772,7 @@ associate(prm => param(ph), stt => state(ph))
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fdot_twin = (0.05_pReal*(abs(tau_tw)/stt%xi_tw(:,en))**prm%n_tw)/prm%gamma_char !Achal 0.05 is constant
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else where
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dot_gamma_tw = 0.0_pReal
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fdot_twin = 0.0_pReal
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end where
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if (present(ddot_gamma_dtau_tw)) then
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@ -760,4 +787,36 @@ end associate
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end subroutine kinetics_tw
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subroutine storeGeometry(ph)
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integer, intent(in) :: ph
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integer :: ce, co, nCell
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real(pReal), dimension(:), allocatable :: V
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integer, dimension(:,:,:), allocatable :: neighborhood
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real(pReal), dimension(:,:), allocatable :: area, coords
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real(pReal), dimension(:,:,:), allocatable :: areaNormal
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nCell = product(shape(IPvolume))
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V = reshape(IPvolume,[nCell])
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neighborhood = reshape(IPneighborhood,[3,nIPneighbors,nCell])
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area = reshape(IParea,[nIPneighbors,nCell])
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areaNormal = reshape(IPareaNormal,[3,nIPneighbors,nCell])
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coords = reshape(discretization_IPcoords,[3,nCell])
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do ce = 1, size(material_homogenizationEntry,1)
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do co = 1, homogenization_maxNconstituents
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if (material_phaseID(co,ce) == ph) then
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geom(ph)%V_0(material_phaseEntry(co,ce)) = V(ce)
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geom(ph)%IPneighborhood(:,:,material_phaseEntry(co,ce)) = neighborhood(:,:,ce)
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geom(ph)%IParea(:,material_phaseEntry(co,ce)) = area(:,ce)
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geom(ph)%IPareaNormal(:,:,material_phaseEntry(co,ce)) = areaNormal(:,:,ce)
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geom(ph)%IPcoordinates(:,material_phaseEntry(co,ce)) = coords(:,ce)
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end if
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end do
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end do
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end subroutine
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end submodule phenopowerlaw
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