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
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Christoph Kords
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7ac7d1a657
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8a45a90775
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@ -75,7 +75,10 @@ crystallite 2
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(output) volume
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(output) orientation # quaternion
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(output) eulerangles # orientation as Bunge triple
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(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
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(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) in crystal reference coordinates
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(output) grainrotationx # deviation from initial orientation as angle in degrees around sample reference x axis
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(output) grainrotationy # deviation from initial orientation as angle in degrees around sample reference y axis
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(output) grainrotationz # deviation from initial orientation as angle in degrees around sample reference z axis
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(output) f # deformation gradient tensor; synonyms: "defgrad"
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(output) fe # elastic deformation gradient tensor
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(output) fp # plastic deformation gradient tensor
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@ -69,7 +69,7 @@ module crystallite
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crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_orientation, & !< orientation as quaternion
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crystallite_orientation0, & !< initial orientation as quaternion
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crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees)
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crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees) in crystal reference frame
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real(pReal), dimension (:,:,:,:,:), allocatable :: &
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crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
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crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
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@ -280,7 +280,7 @@ subroutine crystallite_init(Temperature)
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do i = 1_pInt,material_Ncrystallite
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do j = 1_pInt,crystallite_Noutput(i)
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select case(crystallite_output(j,i))
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case('phase','texture','volume')
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case('phase','texture','volume','grainrotationx','grainrotationy','grainrotationz')
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mySize = 1_pInt
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case('orientation','grainrotation') ! orientation as quaternion, or deviation from initial grain orientation in axis-angle form (angle in degrees)
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mySize = 4_pInt
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@ -3497,7 +3497,9 @@ function crystallite_postResults(&
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math_det33, &
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math_I3, &
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inDeg, &
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math_Mandel6to33
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math_Mandel6to33, &
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math_qMul, &
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math_qConj
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use mesh, only: mesh_element, &
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mesh_ipVolume
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use material, only: microstructure_crystallite, &
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@ -3523,6 +3525,7 @@ function crystallite_postResults(&
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!*** local variables ***!
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real(pReal), dimension(3,3) :: Ee
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real(pReal), dimension(4) :: rotation
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real(pReal) detF
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integer(pInt) o,c,crystID,mySize
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@ -3554,8 +3557,26 @@ function crystallite_postResults(&
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crystallite_postResults(c+1:c+mySize) = inDeg * math_QuaternionToEuler(crystallite_orientation(1:4,g,i,e)) ! grain orientation as Euler angles in degree
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case ('grainrotation')
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mySize = 4_pInt
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crystallite_postResults(c+1:c+mySize) = math_QuaternionToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle
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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
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crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
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case ('grainrotationx')
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mySize = 1_pInt
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rotation = math_QuaternionToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
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crystallite_rotation(1:4,g,i,e)), &
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math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
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crystallite_postResults(c+1) = inDeg * rotation(1) * rotation(4) ! angle in degree
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case ('grainrotationy')
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mySize = 1_pInt
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rotation = math_QuaternionToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
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crystallite_rotation(1:4,g,i,e)), &
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math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
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crystallite_postResults(c+1) = inDeg * rotation(2) * rotation(4) ! angle in degree
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case ('grainrotationz')
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mySize = 1_pInt
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rotation = math_QuaternionToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), &
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crystallite_rotation(1:4,g,i,e)), &
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math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates
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crystallite_postResults(c+1) = inDeg * rotation(3) * rotation(4) ! angle in degree
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! remark: tensor output is of the form 11,12,13, 21,22,23, 31,32,33
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! thus row index i is slow, while column index j is fast. reminder: "row is slow"
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