223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

disorientation was never use 

not even for nonlocal, but it slows down calculation a lot
This commit is contained in:
Martin Diehl 2019-01-14 07:44:36 +01:00
parent ec75ea3ec4
commit 3f40eeacf9
1 changed files with 12 additions and 55 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

67
src/crystallite.f90
View File

@ -65,8 +65,7 @@ module crystallite
crystallite_subF, & !< def grad to be reached at end of crystallite inc crystallite_subF, & !< def grad to be reached at end of crystallite inc
crystallite_subF0, & !< def grad at start of crystallite inc crystallite_subF0, & !< def grad at start of crystallite inc
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc crystallite_subLi0 !< intermediate velocity grad at start of crystallite inc
crystallite_disorientation !< disorientation between two neighboring ips (only calculated for single grain IPs)
real(pReal), dimension(:,:,:,:,:,:,:), allocatable, public :: & real(pReal), dimension(:,:,:,:,:,:,:), allocatable, public :: &
crystallite_dPdF, & !< current individual dPdF per grain (end of converged time step) crystallite_dPdF, & !< current individual dPdF per grain (end of converged time step)
crystallite_dPdF0, & !< individual dPdF per grain at start of FE inc crystallite_dPdF0, & !< individual dPdF per grain at start of FE inc
@ -244,8 +243,6 @@ subroutine crystallite_init
allocate(crystallite_orientation(4,cMax,iMax,eMax), source=0.0_pReal) allocate(crystallite_orientation(4,cMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_orientation0(4,cMax,iMax,eMax), source=0.0_pReal) allocate(crystallite_orientation0(4,cMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_rotation(4,cMax,iMax,eMax), source=0.0_pReal) allocate(crystallite_rotation(4,cMax,iMax,eMax), source=0.0_pReal)
if (any(plasticState%nonLocal)) &
allocate(crystallite_disorientation(4,nMax,cMax,iMax,eMax),source=0.0_pReal)
allocate(crystallite_localPlasticity(cMax,iMax,eMax), source=.true.) allocate(crystallite_localPlasticity(cMax,iMax,eMax), source=.true.)
allocate(crystallite_requested(cMax,iMax,eMax), source=.false.) allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
allocate(crystallite_todo(cMax,iMax,eMax), source=.false.) allocate(crystallite_todo(cMax,iMax,eMax), source=.false.)
@ -3534,29 +3531,23 @@ end function integrateStress
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates orientations and disorientations (in case of single grain ips) !> @brief calculates orientations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_orientations subroutine crystallite_orientations
use math, only: & use math, only: &
math_rotationalPart33, & math_rotationalPart33, &
math_RtoQ, & math_RtoQ
math_qConj
use FEsolving, only: & use FEsolving, only: &
FEsolving_execElem, & FEsolving_execElem, &
FEsolving_execIP FEsolving_execIP
use material, only: & use material, only: &
plasticState, &
material_phase, & material_phase, &
homogenization_Ngrains, & homogenization_Ngrains
plasticState
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element
mesh_ipNeighborhood, &
FE_NipNeighbors, &
FE_geomtype, &
FE_celltype
use lattice, only: & use lattice, only: &
lattice_qDisorientation, & lattice_qDisorientation
lattice_structure
use plastic_nonlocal, only: & use plastic_nonlocal, only: &
plastic_nonlocal_updateCompatibility plastic_nonlocal_updateCompatibility
@ -3565,27 +3556,20 @@ subroutine crystallite_orientations
c, & !< counter in integration point component loop c, & !< counter in integration point component loop
i, & !< counter in integration point loop i, & !< counter in integration point loop
e, & !< counter in element loop e, & !< counter in element loop
n, & !< counter in neighbor loop myPhase ! phase
neighboring_e, & !< neighbor element
neighboring_i, & !< neighbor integration point
myPhase, & ! phase
neighboringPhase
real(pReal), dimension(4) :: &
orientation
! --- CALCULATE ORIENTATION AND LATTICE ROTATION --- ! --- CALCULATE ORIENTATION AND LATTICE ROTATION ---
!$OMP PARALLEL DO PRIVATE(orientation) !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e)) do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
! somehow this subroutine is not threadsafe, so need critical statement here; not clear, what exactly the problem is ! somehow this subroutine is not threadsafe, so need critical statement here; not clear, what exactly the problem is
!$OMP CRITICAL (polarDecomp) !$OMP CRITICAL (polarDecomp)
orientation = math_RtoQ(transpose(math_rotationalPart33(crystallite_Fe(1:3,1:3,c,i,e)))) crystallite_orientation(1:4,c,i,e) = math_RtoQ(transpose(math_rotationalPart33(crystallite_Fe(1:3,1:3,c,i,e))))
!$OMP END CRITICAL (polarDecomp) !$OMP END CRITICAL (polarDecomp)
crystallite_rotation(1:4,c,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,c,i,e), &! active rotation from initial crystallite_rotation(1:4,c,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,c,i,e), &! active rotation from initial
orientation) ! to current orientation (with no symmetry) crystallite_orientation(1:4,c,i,e)) ! to current orientation (with no symmetry)
crystallite_orientation(1:4,c,i,e) = orientation
enddo; enddo; enddo enddo; enddo; enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
@ -3594,40 +3578,13 @@ subroutine crystallite_orientations
! --- we use crystallite_orientation from above, so need a separate loop ! --- we use crystallite_orientation from above, so need a separate loop
nonlocalPresent: if (any(plasticState%nonLocal)) then nonlocalPresent: if (any(plasticState%nonLocal)) then
!$OMP PARALLEL DO PRIVATE(myPhase,neighboring_e,neighboring_i,neighboringPhase) !$OMP PARALLEL DO PRIVATE(myPhase)
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
myPhase = material_phase(1,i,e) ! get my phase (non-local models make no sense with more than one grain per material point) myPhase = material_phase(1,i,e) ! get my phase (non-local models make no sense with more than one grain per material point)
if (plasticState(myPhase)%nonLocal) then ! if nonlocal model if (plasticState(myPhase)%nonLocal) then ! if nonlocal model
! --- calculate disorientation between me and my neighbor ---
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(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 phase
if (plasticState(neighboringPhase)%nonLocal) then ! neighbor got also nonlocal plasticity
if (lattice_structure(myPhase) == lattice_structure(neighboringPhase)) then ! if my neighbor has same crystal structure like me
crystallite_disorientation(:,n,1,i,e) = &
lattice_qDisorientation( crystallite_orientation(1:4,1,i,e), &
crystallite_orientation(1:4,1,neighboring_i,neighboring_e), &
lattice_structure(myPhase)) ! calculate disorientation for given symmetry
else ! for neighbor with different phase
crystallite_disorientation(:,n,1,i,e) = [0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal]! 180 degree rotation about 100 axis
endif
else ! for neighbor with local plasticity
crystallite_disorientation(:,n,1,i,e) = [-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal]! homomorphic identity
endif
else ! no existing neighbor
crystallite_disorientation(:,n,1,i,e) = [-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! homomorphic identity
endif
enddo
! --- calculate compatibility and transmissivity between me and my neighbor --- ! --- calculate compatibility and transmissivity between me and my neighbor ---
call plastic_nonlocal_updateCompatibility(crystallite_orientation,i,e) call plastic_nonlocal_updateCompatibility(crystallite_orientation,i,e)
endif endif
enddo; enddo enddo; enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO