new crystallite output "grainrotationX", "grainrotationY", "grainrotationZ" that gives the deviation of the initial orientation in degrees around the sample reference x/y/z axis, while "grainrotation" still gives the same as axis angle pair in crystal coordinates
This commit is contained in:
Christoph Kords
parent
7ac7d1a657
commit
8a45a90775
|
|
@ -75,7 +75,10 @@ crystallite 2
|
|||
(output) volume
|
||||
(output) orientation # quaternion
|
||||
(output) eulerangles # orientation as Bunge triple
|
||||
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
|
||||
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) in crystal reference coordinates
|
||||
(output) grainrotationx # deviation from initial orientation as angle in degrees around sample reference x axis
|
||||
(output) grainrotationy # deviation from initial orientation as angle in degrees around sample reference y axis
|
||||
(output) grainrotationz # deviation from initial orientation as angle in degrees around sample reference z axis
|
||||
(output) f # deformation gradient tensor; synonyms: "defgrad"
|
||||
(output) fe # elastic deformation gradient tensor
|
||||
(output) fp # plastic deformation gradient tensor
|
||||
|
|
|
|||
|
|
@ -69,7 +69,7 @@ module crystallite
|
|||
crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
|
||||
crystallite_orientation, & !< orientation as quaternion
|
||||
crystallite_orientation0, & !< initial orientation as quaternion
|
||||
crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees)
|
||||
crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees) in crystal reference frame
|
||||
real(pReal), dimension (:,:,:,:,:), allocatable :: &
|
||||
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
|
||||
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
|
||||
|
|
@ -280,7 +280,7 @@ subroutine crystallite_init(Temperature)
|
|||
do i = 1_pInt,material_Ncrystallite
|
||||
do j = 1_pInt,crystallite_Noutput(i)
|
||||
select case(crystallite_output(j,i))
|
||||
case('phase','texture','volume')
|
||||
case('phase','texture','volume','grainrotationx','grainrotationy','grainrotationz')
|
||||
mySize = 1_pInt
|
||||
case('orientation','grainrotation') ! orientation as quaternion, or deviation from initial grain orientation in axis-angle form (angle in degrees)
|
||||
mySize = 4_pInt
|
||||
|
|
@ -3497,7 +3497,9 @@ function crystallite_postResults(&
|
|||
math_det33, &
|
||||
math_I3, &
|
||||
inDeg, &
|
||||
math_Mandel6to33
|
||||
math_Mandel6to33, &
|
||||
math_qMul, &
|
||||
math_qConj
|
||||
use mesh, only: mesh_element, &
|
||||
mesh_ipVolume
|
||||
use material, only: microstructure_crystallite, &
|
||||
|
|
@ -3523,6 +3525,7 @@ function crystallite_postResults(&
|
|||
|
||||
!*** local variables ***!
|
||||
real(pReal), dimension(3,3) :: Ee
|
||||
real(pReal), dimension(4) :: rotation
|
||||
real(pReal) detF
|
||||
integer(pInt) o,c,crystID,mySize
|
||||
|
||||
|
|
@ -3530,7 +3533,7 @@ function crystallite_postResults(&
|
|||
|
||||
crystallite_postResults = 0.0_pReal
|
||||
c = 0_pInt
|
||||
crystallite_postResults(c+1) = real(crystallite_sizePostResults(crystID),pReal) ! size of results from cryst
|
||||
crystallite_postResults(c+1) = real(crystallite_sizePostResults(crystID),pReal) ! size of results from cryst
|
||||
c = c + 1_pInt
|
||||
|
||||
do o = 1_pInt,crystallite_Noutput(crystID)
|
||||
|
|
@ -3538,24 +3541,42 @@ function crystallite_postResults(&
|
|||
select case(crystallite_output(o,crystID))
|
||||
case ('phase')
|
||||
mySize = 1_pInt
|
||||
crystallite_postResults(c+1) = real(material_phase(g,i,e),pReal) ! phaseID of grain
|
||||
crystallite_postResults(c+1) = real(material_phase(g,i,e),pReal) ! phaseID of grain
|
||||
case ('texture')
|
||||
mySize = 1_pInt
|
||||
crystallite_postResults(c+1) = real(material_texture(g,i,e),pReal) ! textureID of grain
|
||||
crystallite_postResults(c+1) = real(material_texture(g,i,e),pReal) ! textureID of grain
|
||||
case ('volume')
|
||||
mySize = 1_pInt
|
||||
detF = math_det33(crystallite_partionedF(1:3,1:3,g,i,e)) ! V_current = det(F) * V_reference
|
||||
crystallite_postResults(c+1) = detF * mesh_ipVolume(i,e) / homogenization_Ngrains(mesh_element(3,e)) ! grain volume (not fraction but absolute)
|
||||
detF = math_det33(crystallite_partionedF(1:3,1:3,g,i,e)) ! V_current = det(F) * V_reference
|
||||
crystallite_postResults(c+1) = detF * mesh_ipVolume(i,e) / homogenization_Ngrains(mesh_element(3,e)) ! grain volume (not fraction but absolute)
|
||||
case ('orientation')
|
||||
mySize = 4_pInt
|
||||
crystallite_postResults(c+1:c+mySize) = crystallite_orientation(1:4,g,i,e) ! grain orientation as quaternion
|
||||
crystallite_postResults(c+1:c+mySize) = crystallite_orientation(1:4,g,i,e) ! grain orientation as quaternion
|
||||
case ('eulerangles')
|
||||
mySize = 3_pInt
|
||||
crystallite_postResults(c+1:c+mySize) = inDeg * math_QuaternionToEuler(crystallite_orientation(1:4,g,i,e)) ! grain orientation as Euler angles in degree
|
||||
case ('grainrotation')
|
||||
mySize = 4_pInt
|
||||
crystallite_postResults(c+1:c+mySize) = math_QuaternionToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle
|
||||
crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
|
||||
crystallite_postResults(c+1:c+mySize) = math_QuaternionToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle in crystal reference coordinates
|
||||
crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
|
||||
case ('grainrotationx')
|
||||
mySize = 1_pInt
|
||||
rotation = math_QuaternionToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
|
||||
crystallite_rotation(1:4,g,i,e)), &
|
||||
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
|
||||
crystallite_postResults(c+1) = inDeg * rotation(1) * rotation(4) ! angle in degree
|
||||
case ('grainrotationy')
|
||||
mySize = 1_pInt
|
||||
rotation = math_QuaternionToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
|
||||
crystallite_rotation(1:4,g,i,e)), &
|
||||
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
|
||||
crystallite_postResults(c+1) = inDeg * rotation(2) * rotation(4) ! angle in degree
|
||||
case ('grainrotationz')
|
||||
mySize = 1_pInt
|
||||
rotation = math_QuaternionToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
|
||||
crystallite_rotation(1:4,g,i,e)), &
|
||||
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
|
||||
crystallite_postResults(c+1) = inDeg * rotation(3) * rotation(4) ! angle in degree
|
||||
|
||||
! remark: tensor output is of the form 11,12,13, 21,22,23, 31,32,33
|
||||
! thus row index i is slow, while column index j is fast. reminder: "row is slow"
|
||||
|
|
|
|||
Loading…
Reference in New Issue