new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip.
The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
This commit is contained in:
Christoph Kords
parent
3ab5cdc770
commit
1f7aebfa4d
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@ -363,7 +363,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip
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endsubroutine
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subroutine constitutive_collectDotState(Tstar_v, subTstar0_v, Fe, Fp, Temperature, subdt, ipc, ip, el)
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subroutine constitutive_collectDotState(Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, subdt, ipc, ip, el)
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!*********************************************************************
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!* This subroutine contains the constitutive equation for *
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!* calculating the rate of change of microstructure *
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@ -380,7 +380,8 @@ use prec, only: pReal, pInt
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use debug, only: debug_cumDotStateCalls, &
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debug_cumDotStateTicks
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use mesh, only: mesh_NcpElems, &
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mesh_maxNips
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mesh_maxNips, &
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mesh_maxNipNeighbors
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use material, only: phase_constitution, &
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material_phase, &
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homogenization_maxNgrains
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@ -395,6 +396,8 @@ implicit none
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integer(pInt), intent(in) :: ipc, ip, el
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real(pReal), intent(in) :: Temperature, &
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subdt
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real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: &
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misorientation
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real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
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Fe, &
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Fp
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@ -421,7 +424,7 @@ select case (phase_constitution(material_phase(ipc,ip,el)))
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constitutive_dotState(ipc,ip,el)%p = constitutive_dislotwin_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el)
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case (constitutive_nonlocal_label)
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call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, subTstar0_v, Fe, Fp, Temperature, subdt, &
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call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, subdt, &
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constitutive_state, constitutive_subState0, subdt, ipc, ip, el)
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end select
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@ -481,7 +484,7 @@ function constitutive_dotTemperature(Tstar_v,Temperature,ipc,ip,el)
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endfunction
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function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, dt, subdt, ipc, ip, el)
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function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, dt, subdt, ipc, ip, el)
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!*********************************************************************
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!* return array of constitutive results *
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!* INPUT: *
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@ -493,7 +496,8 @@ function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, dt,
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!*********************************************************************
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use prec, only: pReal,pInt
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use mesh, only: mesh_NcpElems, &
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mesh_maxNips
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mesh_maxNips, &
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mesh_maxNipNeighbors
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use material, only: phase_constitution, &
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material_phase, &
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homogenization_maxNgrains
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@ -507,6 +511,7 @@ function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, dt,
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integer(pInt), intent(in) :: ipc,ip,el
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real(pReal), intent(in) :: dt, Temperature, subdt
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real(pReal), dimension(6), intent(in) :: Tstar_v, subTstar0_v
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real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: misorientation
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real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: Fe, Fp
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real(pReal), dimension(constitutive_sizePostResults(ipc,ip,el)) :: constitutive_postResults
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@ -523,8 +528,8 @@ function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, dt,
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constitutive_postResults = constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el)
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case (constitutive_nonlocal_label)
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constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, dt, subdt, &
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constitutive_state, constitutive_subState0, &
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constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, &
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dt, subdt, constitutive_state, constitutive_subState0, &
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constitutive_dotstate, ipc, ip, el)
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end select
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@ -1071,7 +1071,7 @@ endsubroutine
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!*********************************************************************
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!* rate of change of microstructure *
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!*********************************************************************
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subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, previousTstar_v, Fe, Fp, Temperature, dt_previous, &
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subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, previousTstar_v, Fe, Fp, Temperature, misorientation, dt_previous, &
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state, previousState, timestep, g,ip,el)
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use prec, only: pReal, &
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@ -1089,6 +1089,7 @@ use math, only: math_norm3, &
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pi
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use mesh, only: mesh_NcpElems, &
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mesh_maxNips, &
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mesh_maxNipNeighbors, &
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mesh_element, &
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FE_NipNeighbors, &
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mesh_ipNeighborhood, &
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@ -1116,6 +1117,8 @@ real(pReal), intent(in) :: Temperature, & ! temperat
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dt_previous ! time increment between previous and current state
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real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation
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previousTstar_v ! previous 2nd Piola-Kirchhoff stress in Mandel notation
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real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: &
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misorientation ! crystal misorientation between me and my neighbor (axis, angle pair)
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real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
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Fe, & ! elastic deformation gradient
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Fp ! plastic deformation gradient
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@ -1331,7 +1334,7 @@ do n = 1,FE_NipNeighbors(mesh_element(2,el))
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lineLength(s,t) = gdot(s,t) / constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) &
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* math_mul3x3(m(:,s,t), surfaceNormal) * area &
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* constitutive_nonlocal_transmissivity(Fe, ip, el, neighboring_ip, neighboring_el) ! dislocation line length that leaves this interface per second; weighted by a transmissivity factor
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* constitutive_nonlocal_transmissivity(misorientation(4,n), misorientation(1:3,n)) ! dislocation line length that leaves this interface per second; weighted by a transmissivity factor
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thisRhoDot(s,t) = thisRhoDot(s,t) - lineLength(s,t) / mesh_ipVolume(ip,el) ! subtract dislocation density rate (= line length over volume) that leaves through an interface from my dotState ...
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@ -1463,92 +1466,32 @@ endsubroutine
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!*********************************************************************
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!* transmissivity of IP interface *
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!*********************************************************************
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function constitutive_nonlocal_transmissivity(Fe, ip,el, neighboring_ip,neighboring_el)
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function constitutive_nonlocal_transmissivity(misorientationAngle, misorientationAxis)
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use prec, only: pReal, &
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pInt, &
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p_vec
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use mesh, only: mesh_NcpElems, &
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mesh_maxNips
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use material, only: homogenization_maxNgrains, &
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material_phase, &
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phase_constitutionInstance
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use math, only: math_inv3x3, &
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math_mul33x33, &
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math_pDecomposition, &
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math_misorientation
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use IO, only: IO_warning
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pInt
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implicit none
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!* input variables
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real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
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Fe ! elastic deformation gradient
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integer(pInt), intent(in) :: ip, & ! my IP
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el, & ! my element number
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neighboring_ip, & ! neighboring IP
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neighboring_el ! neighboring elment number
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real(pReal), dimension(3), intent(in) :: misorientationAxis ! misorientation axis
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real(pReal), intent(in) :: misorientationAngle ! misorientation angle
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!* output variables
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real(pReal) constitutive_nonlocal_transmissivity ! factor determining the transmissivity of an IP interface for dislocations
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real(pReal) constitutive_nonlocal_transmissivity ! transmissivity of an IP interface for dislocations
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!* local variables
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real(pReal), dimension(3,3) :: U, R, & ! polar decomposition of my Fe
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neighboring_U, neighboring_R, & ! polar decomposition of my neighbor's Fe
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dR ! net misorientation
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real(pReal), dimension(3) :: axis ! rotation axis
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real(pReal) angle ! misorientation angle
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integer(pInt) myInstance, & ! current instance of this constitution
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symmetryType
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logical error
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! initialize with perfect transmissivity
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constitutive_nonlocal_transmissivity = 1.0_pReal
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! only change transmissivity when we have a valid neighbor
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if ((neighboring_el > 0) .and. (neighboring_ip > 0)) then
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! calculate orientations from elastic deformation gradients
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! write(6,'(a,/,3(3(f12.8),/))') 'my Fe', Fe(:,:,1,ip,el)
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! write(6,'(a,/,3(3(f12.8),/))') 'neighboring Fe', Fe(:,:,1,neighboring_ip,neighboring_el)
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call math_pDecomposition(Fe(:,:,1,ip,el), U, R, error) ! polar decomposition of Fe
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if (.not. error) &
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call math_pDecomposition(Fe(:,:,1,neighboring_ip,neighboring_el), neighboring_U, neighboring_R, error) ! polar decomposition of my neighbors Fe
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if (error) then ! polar decomposition failed?
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call IO_warning(650, el, ip, 1)
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! transmissivity depends on misorientation angle
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if (misorientationAngle < 3.0_pReal) then
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constitutive_nonlocal_transmissivity = 1.0_pReal
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elseif (misorientationAngle < 10.0_pReal) then
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constitutive_nonlocal_transmissivity = 0.5_pReal
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else
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constitutive_nonlocal_transmissivity = 0.1_pReal
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endif
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else
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! choose symmetry type of my crystal structure
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myInstance = phase_constitutionInstance(material_phase(1,ip,el))
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select case (constitutive_nonlocal_structureName(myInstance))
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case ('fcc','bcc')
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symmetryType = 1_pInt
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case ('hex')
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symmetryType = 2_pInt
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case default
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symmetryType = 0_pInt
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end select
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! calculate misorientation
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R = transpose(R) ! transpose defines orientation (rotation from current into lattice conf)
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neighboring_R = transpose(neighboring_R)
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call math_misorientation(axis, angle, dR, R, neighboring_R, symmetryType)
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! write(6,'(a,2(x,i3),/,3(3(f12.8),/))') 'my R at',ip,el, R
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! write(6,'(a,2(x,i3),/,3(3(f12.8),/))') 'neighboring R at',neighboring_ip, neighboring_el, neighboring_R
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! write(6,'(a,x,i3,x,i3,x,f10.3,x,3(f8.5,x),/)') 'constitutive_nonlocal_transmissivity', ip,el, angle, axis
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! transmissivity depends on misorientation angle
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if (angle < 3.0_pReal) then
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constitutive_nonlocal_transmissivity = 1.0_pReal
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elseif (angle < 10.0_pReal) then
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constitutive_nonlocal_transmissivity = 0.5_pReal
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else
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constitutive_nonlocal_transmissivity = 0.1_pReal
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endif
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endif
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endif
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endfunction
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@ -1589,7 +1532,7 @@ endfunction
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!*********************************************************************
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!* return array of constitutive results *
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!*********************************************************************
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function constitutive_nonlocal_postResults(Tstar_v, previousTstar_v, Fe, Fp, Temperature, dt, dt_previous, &
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function constitutive_nonlocal_postResults(Tstar_v, previousTstar_v, Fe, Fp, Temperature, misorientation, dt, dt_previous, &
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state, previousState, dotState, g,ip,el)
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use prec, only: pReal, &
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@ -1606,6 +1549,7 @@ use math, only: math_norm3, &
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pi
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use mesh, only: mesh_NcpElems, &
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mesh_maxNips, &
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mesh_maxNipNeighbors, &
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mesh_element, &
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FE_NipNeighbors, &
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mesh_ipNeighborhood, &
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@ -1634,6 +1578,8 @@ real(pReal), intent(in) :: Temperature, & ! temperat
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dt_previous ! time increment between previous and current state
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real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation
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previousTstar_v ! previous 2nd Piola-Kirchhoff stress in Mandel notation
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real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: &
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misorientation ! crystal misorientation between me and my neighbor (axis, angle pair)
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real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
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Fe, & ! elastic deformation gradient
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Fp ! plastic deformation gradient
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@ -1644,7 +1590,7 @@ type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), in
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!*** output variables
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real(pReal), dimension(constitutive_nonlocal_sizePostResults(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
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constitutive_nonlocal_postResults
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constitutive_nonlocal_postResults
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!*** local variables
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integer(pInt) myInstance, & ! current instance of this constitution
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@ -1789,7 +1735,7 @@ do n = 1,FE_NipNeighbors(mesh_element(2,el))
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if ( sign(1.0_pReal,math_mul3x3(m(:,s,t),surfaceNormal)) == sign(1.0_pReal,gdot(s,t)) ) &
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fluxes(s,n,t) = gdot(s,t) / constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) &
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* math_mul3x3(m(:,s,t), surfaceNormal) * area &
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* constitutive_nonlocal_transmissivity(Fe, ip, el, neighboring_ip, neighboring_el) &
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* constitutive_nonlocal_transmissivity(misorientation(4,n), misorientation(1:3,n)) &
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/ mesh_ipVolume(ip,el)
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enddo
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enddo
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@ -31,7 +31,8 @@ real(pReal), dimension (:,:,:), allocatable :: crystallite_dt, &
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real(pReal), dimension (:,:,:,:), allocatable :: crystallite_Tstar_v, & ! current 2nd Piola-Kirchhoff stress vector (end of converged time step)
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crystallite_Tstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_partionedTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of homog inc
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crystallite_subTstar0_v ! 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_subTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_eulerangles ! euler angles phi1 Phi phi2
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real(pReal), dimension (:,:,:,:,:), allocatable :: crystallite_Fe, & ! current "elastic" def grad (end of converged time step)
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crystallite_Fp, & ! current plastic def grad (end of converged time step)
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crystallite_invFp, & ! inverse of current plastic def grad (end of converged time step)
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@ -47,7 +48,9 @@ real(pReal), dimension (:,:,:,:,:), allocatable :: crystallite_Fe, &
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crystallite_Lp0, & ! plastic velocitiy grad at start of FE inc
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crystallite_partionedLp0,& ! plastic velocity grad at start of homog inc
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crystallite_subLp0,& ! plastic velocity grad at start of crystallite inc
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crystallite_P ! 1st Piola-Kirchhoff stress per grain
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crystallite_P, & ! 1st Piola-Kirchhoff stress per grain
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crystallite_R, & ! crystal orientation (rotation matrix current -> lattice conf)
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crystallite_misorientation ! misorientation between two neighboring ips (only calculated for single grain IPs)
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real(pReal), dimension (:,:,:,:,:,:,:), allocatable :: crystallite_dPdF, & ! individual dPdF per grain
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crystallite_fallbackdPdF ! dPdF fallback for non-converged grains (elastic prediction)
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real(pReal) crystallite_statedamper ! damping for state update
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@ -78,7 +81,8 @@ subroutine crystallite_init(Temperature)
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FEsolving_execIP
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use mesh, only: mesh_element, &
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mesh_NcpElems, &
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mesh_maxNips
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mesh_maxNips, &
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mesh_maxNipNeighbors
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use material, only: homogenization_Ngrains, &
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homogenization_maxNgrains, &
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material_EulerAngles, &
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@ -98,11 +102,13 @@ subroutine crystallite_init(Temperature)
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gMax, & ! maximum number of grains
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iMax, & ! maximum number of integration points
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eMax, & ! maximum number of elements
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nMax, & ! maximum number of ip neighbors
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myNgrains
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gMax = homogenization_maxNgrains
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iMax = mesh_maxNips
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eMax = mesh_NcpElems
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nMax = mesh_maxNipNeighbors
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allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature
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allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal
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@ -126,6 +132,9 @@ subroutine crystallite_init(Temperature)
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allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
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allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
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allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
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allocate(crystallite_R(3,3,gMax,iMax,eMax)); crystallite_R = 0.0_pReal
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allocate(crystallite_eulerangles(3,gMax,iMax,eMax)); crystallite_eulerangles = 0.0_pReal
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allocate(crystallite_misorientation(4,nMax,gMax,iMax,eMax)); crystallite_misorientation = 0.0_pReal
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allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
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allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
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allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal
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@ -148,6 +157,7 @@ subroutine crystallite_init(Temperature)
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do g = 1,myNgrains
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crystallite_partionedTemperature0(g,i,e) = Temperature ! isothermal assumption
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crystallite_Fp0(:,:,g,i,e) = math_EulerToR(material_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation
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crystallite_Fe(:,:,g,i,e) = transpose(crystallite_Fp0(:,:,g,i,e))
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crystallite_F0(:,:,g,i,e) = math_I3
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crystallite_partionedFp0(:,:,g,i,e) = crystallite_Fp0(:,:,g,i,e)
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crystallite_partionedF0(:,:,g,i,e) = crystallite_F0(:,:,g,i,e)
|
||||
|
|
@ -159,6 +169,7 @@ subroutine crystallite_init(Temperature)
|
|||
enddo
|
||||
!$OMPEND PARALLEL DO
|
||||
|
||||
call crystallite_orientations()
|
||||
call crystallite_stressAndItsTangent(.true.) ! request elastic answers
|
||||
crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
|
||||
|
||||
|
|
@ -194,6 +205,9 @@ subroutine crystallite_init(Temperature)
|
|||
write(6,'(a35,x,7(i5,x))') 'crystallite_subTstar0_v: ', shape(crystallite_subTstar0_v)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_dPdF: ', shape(crystallite_dPdF)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_fallbackdPdF: ', shape(crystallite_fallbackdPdF)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_R: ', shape(crystallite_R)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_eulerangles: ', shape(crystallite_eulerangles)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_misorientation: ', shape(crystallite_misorientation)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_dt: ', shape(crystallite_dt)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_subdt: ', shape(crystallite_subdt)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_subFrac: ', shape(crystallite_subFrac)
|
||||
|
|
@ -204,7 +218,7 @@ subroutine crystallite_init(Temperature)
|
|||
write(6,'(a35,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_stateConverged: ', shape(crystallite_stateConverged)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_temperatureConverged: ', shape(crystallite_temperatureConverged)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_todo: ', shape(crystallite_todo)
|
||||
write(6,'(a35,x,7(i5,x))') 'crystallite_todo: ', shape(crystallite_todo)
|
||||
write(6,*)
|
||||
write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localConstitution)
|
||||
call flush(6)
|
||||
|
|
@ -316,7 +330,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
storedTemperature
|
||||
real(pReal), dimension(constitutive_maxSizeState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
storedState, &
|
||||
storedState
|
||||
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
storedDotState
|
||||
logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
storedConvergenceFlag
|
||||
|
|
@ -371,7 +386,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
||||
do g = 1,myNgrains
|
||||
! debugger = (e == 1 .and. i == 1 .and. g == 1)
|
||||
debugger = (e == 1 .and. i == 1 .and. g == 1)
|
||||
if (crystallite_converged(g,i,e)) then
|
||||
if (debugger) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
|
|
@ -464,7 +479,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
if (crystallite_todo(g,i,e)) then ! all undone crystallites
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
|
||||
crystallite_subdt(g,i,e), g, i, e)
|
||||
crystallite_misorientation(:,:,g,i,e), crystallite_subdt(g,i,e), g, i, e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMPEND PARALLEL DO
|
||||
|
|
@ -557,7 +572,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
if (crystallite_todo(g,i,e)) then ! all undone crystallites
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
|
||||
crystallite_subdt(g,i,e), g, i, e)
|
||||
crystallite_misorientation(:,:,g,i,e), crystallite_subdt(g,i,e), g, i, e)
|
||||
delta_dotState1 = constitutive_dotState(g,i,e)%p - constitutive_previousDotState(g,i,e)%p
|
||||
delta_dotState2 = constitutive_previousDotState(g,i,e)%p - constitutive_previousDotState2(g,i,e)%p
|
||||
dot_prod12 = dot_product(delta_dotState1, delta_dotState2)
|
||||
|
|
@ -595,6 +610,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
if (debugger) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*) count(crystallite_converged(:,:,:)),'grains converged after state integration no.', NiterationState
|
||||
write(6,*)
|
||||
!write(6,'(8(L,x))') crystallite_converged(:,:,:)
|
||||
!$OMPEND CRITICAL (write2out)
|
||||
endif
|
||||
if (any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) & ! any non-local not yet converged?
|
||||
|
|
@ -705,7 +722,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
constitutive_dotState(g,i,e)%p = 0.0_pReal
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
|
||||
crystallite_subdt(g,i,e), g, i, e)
|
||||
crystallite_misorientation(:,:,g,i,e), crystallite_subdt(g,i,e), &
|
||||
g, i, e)
|
||||
stateConverged = crystallite_updateState(g,i,e) ! update state
|
||||
temperatureConverged = crystallite_updateTemperature(g,i,e) ! update temperature
|
||||
converged = stateConverged .and. temperatureConverged
|
||||
|
|
@ -768,7 +786,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
constitutive_dotState(g,i,e)%p = 0.0_pReal
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
|
||||
crystallite_subdt(g,i,e), g, i, e)
|
||||
crystallite_misorientation(:,:,g,i,e), crystallite_subdt(g,i,e), &
|
||||
g, i, e)
|
||||
stateConverged = crystallite_updateState(g,i,e) ! update state
|
||||
temperatureConverged = crystallite_updateTemperature(g,i,e) ! update temperature
|
||||
converged = stateConverged .and. temperatureConverged
|
||||
|
|
@ -873,7 +892,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
if (crystallite_todo(gg,ii,ee)) &
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,gg,ii,ee), crystallite_subTstar0_v(:,gg,ii,ee), &
|
||||
crystallite_Fe, crystallite_Fp, crystallite_Temperature(gg,ii,ee), &
|
||||
crystallite_subdt(gg,ii,ee), gg, ii, ee) ! collect dot state
|
||||
crystallite_misorientation(:,:,g,i,e), crystallite_subdt(gg,ii,ee), &
|
||||
gg, ii, ee) ! collect dot state
|
||||
enddo; enddo; enddo
|
||||
|
||||
do ee = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
|
|
@ -921,16 +941,12 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
|
|||
crystallite_P(:,:,gg,ii,ee) = storedP(:,:,gg,ii,ee)
|
||||
enddo; enddo; enddo
|
||||
|
||||
!$OMP CRITICAL (out)
|
||||
debug_StiffnessStateLoopDistribution(NiterationState) = debug_StiffnessstateLoopDistribution(NiterationState) + 1
|
||||
!$OMPEND CRITICAL (out)
|
||||
!$OMP CRITICAL (out)
|
||||
debug_StiffnessStateLoopDistribution(NiterationState) = debug_StiffnessstateLoopDistribution(NiterationState) + 1
|
||||
!$OMPEND CRITICAL (out)
|
||||
|
||||
enddo; enddo; enddo ! element,ip,grain loop (e,i,g)
|
||||
crystallite_converged = storedConvergenceFlag
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
endif
|
||||
|
||||
|
|
@ -1396,6 +1412,147 @@ LpLoop: do
|
|||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
! calculates orientations and misorientations (in case of single grain ips)
|
||||
!********************************************************************
|
||||
subroutine crystallite_orientations()
|
||||
|
||||
!*** variables and functions from other modules ***!
|
||||
use prec, only: pInt, &
|
||||
pReal
|
||||
use math, only: math_pDecomposition, &
|
||||
math_RtoEuler, &
|
||||
math_misorientation, &
|
||||
inDeg
|
||||
use FEsolving, only: FEsolving_execElem, &
|
||||
FEsolving_execIP
|
||||
use IO, only: IO_warning
|
||||
use material, only: material_phase, &
|
||||
homogenization_Ngrains, &
|
||||
phase_constitution, &
|
||||
phase_constitutionInstance
|
||||
use mesh, only: mesh_element, &
|
||||
mesh_ipNeighborhood, &
|
||||
FE_NipNeighbors
|
||||
use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
|
||||
constitutive_phenopowerlaw_structure
|
||||
use constitutive_dislotwin, only: constitutive_dislotwin_label, &
|
||||
constitutive_dislotwin_structure
|
||||
use constitutive_nonlocal, only: constitutive_nonlocal_label, &
|
||||
constitutive_nonlocal_structure
|
||||
|
||||
implicit none
|
||||
|
||||
!*** input variables ***!
|
||||
|
||||
!*** output variables ***!
|
||||
|
||||
!*** local variables ***!
|
||||
integer(pInt) e, & ! element index
|
||||
i, & ! integration point index
|
||||
g, & ! grain index
|
||||
n, & ! neighbor index
|
||||
myPhase, & ! phase
|
||||
myStructure, & ! lattice structure
|
||||
neighboring_e, & ! element index of my neighbor
|
||||
neighboring_i, & ! integration point index of my neighbor
|
||||
neighboringPhase, & ! phase of my neighbor
|
||||
neighboringStructure, & ! lattice structure of my neighbor
|
||||
symmetryType ! type of crystal symmetry
|
||||
real(pReal), dimension(3,3) :: U, R, & ! polar decomposition of Fe
|
||||
netRotation ! net rotation between two orientations
|
||||
logical error
|
||||
|
||||
|
||||
!$OMP PARALLEL DO
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||
do g = 1,homogenization_Ngrains(mesh_element(3,e))
|
||||
|
||||
! calculate orientation in terms of rotation matrix and euler angles
|
||||
call math_pDecomposition(crystallite_Fe(:,:,g,i,e), U, R, error) ! polar decomposition of Fe
|
||||
if (error) then
|
||||
call IO_warning(650, e, i, g)
|
||||
crystallite_R(:,:,g,i,e) = 0.0_pReal
|
||||
crystallite_eulerangles(:,g,i,e) = (/400.0, 400.0, 400.0/) ! fake orientation
|
||||
else
|
||||
crystallite_R(:,:,g,i,e) = transpose(R)
|
||||
crystallite_eulerangles(:,g,i,e) = math_RtoEuler(crystallite_R(:,:,g,i,e)) * inDeg
|
||||
endif
|
||||
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
!$OMPEND PARALLEL DO
|
||||
|
||||
!$OMP PARALLEL DO
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||
if (homogenization_Ngrains(mesh_element(3,e)) == 1_pInt) then ! if single grain ip
|
||||
|
||||
myPhase = material_phase(1,i,e) ! get my crystal structure
|
||||
select case (phase_constitution(myPhase))
|
||||
case (constitutive_phenopowerlaw_label)
|
||||
myStructure = constitutive_phenopowerlaw_structure(phase_constitutionInstance(myPhase))
|
||||
case (constitutive_dislotwin_label)
|
||||
myStructure = constitutive_dislotwin_structure(phase_constitutionInstance(myPhase))
|
||||
case (constitutive_nonlocal_label)
|
||||
myStructure = constitutive_nonlocal_structure(phase_constitutionInstance(myPhase))
|
||||
case default
|
||||
myStructure = ''
|
||||
end select
|
||||
|
||||
do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
|
||||
|
||||
neighboring_e = mesh_ipNeighborhood(1,n,i,e)
|
||||
neighboring_i = mesh_ipNeighborhood(2,n,i,e)
|
||||
|
||||
if ((neighboring_e > 0) .and. (neighboring_i > 0)) then ! if neighbor exists
|
||||
|
||||
neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's crystal structure
|
||||
select case (phase_constitution(neighboringPhase))
|
||||
case (constitutive_phenopowerlaw_label)
|
||||
neighboringStructure = constitutive_phenopowerlaw_structure(phase_constitutionInstance(neighboringPhase))
|
||||
case (constitutive_dislotwin_label)
|
||||
neighboringStructure = constitutive_dislotwin_structure(phase_constitutionInstance(neighboringPhase))
|
||||
case (constitutive_nonlocal_label)
|
||||
neighboringStructure = constitutive_nonlocal_structure(phase_constitutionInstance(neighboringPhase))
|
||||
case default
|
||||
neighboringStructure = ''
|
||||
end select
|
||||
|
||||
if (myStructure == neighboringStructure) then ! if my neighbor has same crystal structure as me
|
||||
|
||||
select case (myStructure) ! get type of symmetry
|
||||
case (1_pInt, 2_pInt) ! fcc and bcc:
|
||||
symmetryType = 1_pInt ! -> cubic symmetry
|
||||
case (3_pInt) ! hex:
|
||||
symmetryType = 2_pInt ! -> hexagonal symmetry
|
||||
case default
|
||||
symmetryType = 0_pInt
|
||||
end select
|
||||
|
||||
call math_misorientation( crystallite_misorientation(1:3,n,1,i,e), &
|
||||
crystallite_misorientation(4,n,1,i,e), &
|
||||
netRotation, &
|
||||
crystallite_R(:,:,1,i,e), &
|
||||
crystallite_R(:,:,1,neighboring_i,neighboring_e), &
|
||||
symmetryType) ! calculate misorientation
|
||||
|
||||
else
|
||||
call IO_warning(-1, e, i, g, 'couldnt calculate misorientation because of two different lattice structures')
|
||||
|
||||
endif
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
enddo
|
||||
!$OMPEND PARALLEL DO
|
||||
|
||||
endsubroutine
|
||||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
! return results of particular grain
|
||||
|
|
@ -1410,10 +1567,6 @@ function crystallite_postResults(&
|
|||
!*** variables and functions from other modules ***!
|
||||
use prec, only: pInt, &
|
||||
pReal
|
||||
use math, only: math_pDecomposition, &
|
||||
math_RtoEuler, &
|
||||
inDeg
|
||||
use IO, only: IO_warning
|
||||
use material, only: material_phase, &
|
||||
material_volume
|
||||
use constitutive, only: constitutive_sizePostResults, &
|
||||
|
|
@ -1443,13 +1596,7 @@ function crystallite_postResults(&
|
|||
c = c+2_pInt
|
||||
endif
|
||||
if (crystallite_Nresults >= 5) then
|
||||
call math_pDecomposition(crystallite_Fe(:,:,g,i,e),U,R,error) ! polar decomposition of Fe
|
||||
if (error) then
|
||||
call IO_warning(650,e,i,g)
|
||||
crystallite_postResults(c+1:c+3) = (/400.0,400.0,400.0/) ! fake orientation
|
||||
else
|
||||
crystallite_postResults(c+1:c+3) = math_RtoEuler(transpose(R))*inDeg ! orientation
|
||||
endif
|
||||
crystallite_postResults(c+1:c+3) = crystallite_eulerangles(:,i,e,g) ! fake orientation
|
||||
c = c+3_pInt
|
||||
endif
|
||||
if (crystallite_Nresults >= 14) then ! deformation gradient
|
||||
|
|
@ -1460,7 +1607,8 @@ function crystallite_postResults(&
|
|||
crystallite_postResults(c+1) = constitutive_sizePostResults(g,i,e); c = c+1_pInt ! size of constitutive results
|
||||
crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = &
|
||||
constitutive_postResults(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), dt, crystallite_subdt(g,i,e), g, i, e)
|
||||
crystallite_Temperature(g,i,e), crystallite_misorientation(:,:,g,i,e), dt, &
|
||||
crystallite_subdt(g,i,e), g, i, e)
|
||||
c = c + constitutive_sizePostResults(g,i,e)
|
||||
|
||||
return
|
||||
|
|
|
|||
|
|
@ -217,7 +217,8 @@ subroutine materialpoint_stressAndItsTangent(&
|
|||
crystallite_dt, &
|
||||
crystallite_requested, &
|
||||
crystallite_converged, &
|
||||
crystallite_stressAndItsTangent
|
||||
crystallite_stressAndItsTangent, &
|
||||
crystallite_orientations
|
||||
use debug, only: debugger, &
|
||||
debug_MaterialpointLoopDistribution, &
|
||||
debug_MaterialpointStateLoopDistribution
|
||||
|
|
@ -429,6 +430,9 @@ subroutine materialpoint_stressAndItsTangent(&
|
|||
|
||||
enddo ! cutback loop
|
||||
|
||||
! calculate crystal orientations
|
||||
call crystallite_orientations()
|
||||
|
||||
! check for non-performer: any(.not. converged)
|
||||
! replace everybody with odd response ?
|
||||
|
||||
|
|
@ -437,7 +441,7 @@ elementLoop: do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate
|
|||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
||||
if (materialpoint_converged(i,e)) then
|
||||
call homogenization_averageStressAndItsTangent(i,e)
|
||||
call homogenization_averageTemperature(i,e)
|
||||
call homogenization_averageTemperature(i,e)
|
||||
else
|
||||
terminallyIll = .true.
|
||||
write(6,'(a48,i4,i4,/)') 'homogenization terminally-ill ',i,e
|
||||
|
|
|
|||
Loading…
Reference in New Issue