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DAMASK_EICMD
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using new orientation class 

not sure if transpose is needed for initialization
This commit is contained in:
Martin Diehl 2019-02-01 10:11:46 +01:00
parent 53a95ea84f
commit 9d25d677e6
1 changed files with 13 additions and 4 deletions
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17
src/crystallite.f90
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@ -9,6 +9,11 @@
!--------------------------------------------------------------------------------------------------
module crystallite
use prec, only: &
pReal, &
pInt
use orientations, only: &
orientation
use FEsolving, only: &
FEsolving_execElem, &
FEsolving_execIP
@ -16,9 +21,7 @@ module crystallite
mesh_element
use material, only: &
homogenization_Ngrains
use prec, only: &
pReal, &
pInt
implicit none
@ -42,6 +45,9 @@ module crystallite
crystallite_Tstar_v, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step) ToDo: Should be called S, 3x3
crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc ToDo: Should be called S, 3x3
crystallite_partionedTstar0_v !< 2nd Piola-Kirchhoff stress vector at start of homog inc ToDo: Should be called S, 3x3
type(orientation), dimension(:,:,:), allocatable, private :: &
crystallite_ori, & !< orientation as quaternion
crystallite_ori0 !< initial orientation as quaternion
real(pReal), dimension(:,:,:,:), allocatable, private :: &
crystallite_orientation, & !< orientation as quaternion
crystallite_orientation0, & !< initial orientation as quaternion
@ -239,6 +245,8 @@ subroutine crystallite_init
allocate(crystallite_subStep(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_ori(cMax,iMax,eMax))
!allocate(crystallite_ori0(cMax,iMax,eMax))
allocate(crystallite_rotation(4,cMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_localPlasticity(cMax,iMax,eMax), source=.true.)
allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
@ -900,6 +908,7 @@ subroutine crystallite_orientations
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
call crystallite_ori(c,i,e)%fromRotationMatrix(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))))
crystallite_rotation(1:4,c,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,c,i,e), &! active rotation from initial
crystallite_orientation(1:4,c,i,e)) ! to current orientation (with no symmetry)
@ -1020,7 +1029,7 @@ function crystallite_postResults(ipc, ip, el)
/ real(homogenization_Ngrains(mesh_element(3,el)),pReal) ! grain volume (not fraction but absolute)
case (orientation_ID)
mySize = 4_pInt
crystallite_postResults(c+1:c+mySize) = crystallite_orientation(1:4,ipc,ip,el) ! grain orientation as quaternion
crystallite_postResults(c+1:c+mySize) = crystallite_ori(ipc,ip,el)%asQuaternion()
case (eulerangles_ID)
mySize = 3_pInt
crystallite_postResults(c+1:c+mySize) = inDeg &