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added crystallite output "neighboringelement" and "neighboringip" 

some polishing in crystallite_postResults
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Christoph Kords 2013-05-08 12:02:30 +00:00
parent b2a3c9235b
commit 3b788720e5
1 changed files with 84 additions and 68 deletions
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code/crystallite.f90
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@ -309,6 +309,8 @@ use math, only: &
mySize = 9_pInt mySize = 9_pInt
case('elasmatrix') case('elasmatrix')
mySize = 36_pInt mySize = 36_pInt
case('neighboringip','neighboringelement')
mySize = mesh_maxNipNeighbors
case default case default
mySize = 0_pInt mySize = 0_pInt
end select end select
@ -3426,49 +3428,53 @@ end subroutine crystallite_orientations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return results of particular grain !> @brief return results of particular grain
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function crystallite_postResults(& function crystallite_postResults(dt, gr, ip, el)
dt,& ! time increment use math, only: &
g,& ! grain number math_qToEuler, &
i,& ! integration point number math_qToAxisAngle, &
e & ! element number math_mul33x33, &
) math_transpose33, &
use math, only: math_qToEuler, & math_det33, &
math_qToAxisAngle, & math_I3, &
math_mul33x33, & inDeg, &
math_transpose33, & math_Mandel6to33, &
math_det33, & math_qMul, &
math_I3, & math_qConj
inDeg, & use mesh, only: &
math_Mandel6to33, & mesh_element, &
math_qMul, & mesh_ipVolume, &
math_qConj mesh_ipCoordinates, &
use mesh, only: mesh_element, & mesh_maxNipNeighbors, &
mesh_ipVolume, & mesh_ipNeighborhood, &
mesh_ipCoordinates FE_NipNeighbors, &
use material, only: microstructure_crystallite, & FE_geomtype, &
crystallite_Noutput, & FE_celltype
material_phase, & use material, only: &
material_texture, & microstructure_crystallite, &
homogenization_Ngrains crystallite_Noutput, &
use constitutive, only: constitutive_sizePostResults, & material_phase, &
constitutive_postResults, & material_texture, &
constitutive_homogenizedC homogenization_Ngrains
use constitutive, only: &
constitutive_sizePostResults, &
constitutive_postResults, &
constitutive_homogenizedC
implicit none implicit none
integer(pInt), intent(in):: e, & ! element index integer(pInt), intent(in):: el, & !< element index
i, & ! integration point index ip, & !< integration point index
g ! grain index gr !< grain index
real(pReal), intent(in):: dt ! time increment real(pReal), intent(in):: dt !< time increment
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,e)))+ & real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,el)))+ &
1+constitutive_sizePostResults(g,i,e)) :: crystallite_postResults 1+constitutive_sizePostResults(gr,ip,el)) :: crystallite_postResults
real(pReal), dimension(3,3) :: Ee real(pReal), dimension(3,3) :: Ee
real(pReal), dimension(4) :: rotation real(pReal), dimension(4) :: rotation
real(pReal) detF real(pReal) detF
integer(pInt) o,c,crystID,mySize integer(pInt) o,c,crystID,mySize,n
crystID = microstructure_crystallite(mesh_element(4,e)) crystID = microstructure_crystallite(mesh_element(4,el))
crystallite_postResults = 0.0_pReal crystallite_postResults = 0.0_pReal
c = 0_pInt c = 0_pInt
@ -3480,91 +3486,101 @@ function crystallite_postResults(&
select case(crystallite_output(o,crystID)) select case(crystallite_output(o,crystID))
case ('phase') case ('phase')
mySize = 1_pInt mySize = 1_pInt
crystallite_postResults(c+1) = real(material_phase(g,i,e),pReal) ! phaseID of grain crystallite_postResults(c+1) = real(material_phase(gr,ip,el),pReal) ! phaseID of grain
case ('texture') case ('texture')
mySize = 1_pInt mySize = 1_pInt
crystallite_postResults(c+1) = real(material_texture(g,i,e),pReal) ! textureID of grain crystallite_postResults(c+1) = real(material_texture(gr,ip,el),pReal) ! textureID of grain
case ('volume') case ('volume')
mySize = 1_pInt mySize = 1_pInt
detF = math_det33(crystallite_partionedF(1:3,1:3,g,i,e)) ! V_current = det(F) * V_reference detF = math_det33(crystallite_partionedF(1:3,1:3,gr,ip,el)) ! 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) crystallite_postResults(c+1) = detF * mesh_ipVolume(ip,el) / homogenization_Ngrains(mesh_element(3,el)) ! grain volume (not fraction but absolute)
case ('orientation') case ('orientation')
mySize = 4_pInt 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,gr,ip,el) ! grain orientation as quaternion
case ('eulerangles') case ('eulerangles')
mySize = 3_pInt mySize = 3_pInt
crystallite_postResults(c+1:c+mySize) = inDeg * math_qToEuler(crystallite_orientation(1:4,g,i,e)) ! grain orientation as Euler angles in degree crystallite_postResults(c+1:c+mySize) = inDeg * math_qToEuler(crystallite_orientation(1:4,gr,ip,el)) ! grain orientation as Euler angles in degree
case ('grainrotation') case ('grainrotation')
mySize = 4_pInt mySize = 4_pInt
crystallite_postResults(c+1:c+mySize) = math_qToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle in crystal reference coordinates crystallite_postResults(c+1:c+mySize) = math_qToAxisAngle(crystallite_rotation(1:4,gr,ip,el)) ! 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 crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
case ('grainrotationx') case ('grainrotationx')
mySize = 1_pInt mySize = 1_pInt
rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), & rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,gr,ip,el), &
crystallite_rotation(1:4,g,i,e)), & crystallite_rotation(1:4,gr,ip,el)), &
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates math_qConj(crystallite_orientation(1:4,gr,ip,el)))) ! 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 crystallite_postResults(c+1) = inDeg * rotation(1) * rotation(4) ! angle in degree
case ('grainrotationy') case ('grainrotationy')
mySize = 1_pInt mySize = 1_pInt
rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), & rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,gr,ip,el), &
crystallite_rotation(1:4,g,i,e)), & crystallite_rotation(1:4,gr,ip,el)), &
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates math_qConj(crystallite_orientation(1:4,gr,ip,el)))) ! 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 crystallite_postResults(c+1) = inDeg * rotation(2) * rotation(4) ! angle in degree
case ('grainrotationz') case ('grainrotationz')
mySize = 1_pInt mySize = 1_pInt
rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,g,i,e), & rotation = math_qToAxisAngle(math_qMul(math_qMul(crystallite_orientation(1:4,gr,ip,el), &
crystallite_rotation(1:4,g,i,e)), & crystallite_rotation(1:4,gr,ip,el)), &
math_qConj(crystallite_orientation(1:4,g,i,e)))) ! grain rotation away from initial orientation as axis-angle in sample reference coordinates math_qConj(crystallite_orientation(1:4,gr,ip,el)))) ! 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 crystallite_postResults(c+1) = inDeg * rotation(3) * rotation(4) ! angle in degree
case ('ipcoords') case ('ipcoords')
mySize = 3_pInt mySize = 3_pInt
crystallite_postResults(c+1:c+mySize) = mesh_ipCoordinates(1:3,i,e) ! current ip coordinates crystallite_postResults(c+1:c+mySize) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates
! remark: tensor output is of the form 11,12,13, 21,22,23, 31,32,33 ! 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" ! thus row index i is slow, while column index j is fast. reminder: "row is slow"
case ('defgrad','f') case ('defgrad','f')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_partionedF(1:3,1:3,g,i,e)),[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_partionedF(1:3,1:3,gr,ip,el)),[mySize])
case ('e') case ('e')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = 0.5_pReal * reshape((math_mul33x33( & crystallite_postResults(c+1:c+mySize) = 0.5_pReal * reshape((math_mul33x33( &
math_transpose33(crystallite_partionedF(1:3,1:3,g,i,e)), & math_transpose33(crystallite_partionedF(1:3,1:3,gr,ip,el)), &
crystallite_partionedF(1:3,1:3,g,i,e)) - math_I3),[mySize]) crystallite_partionedF(1:3,1:3,gr,ip,el)) - math_I3),[mySize])
case ('fe') case ('fe')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Fe(1:3,1:3,g,i,e)),[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Fe(1:3,1:3,gr,ip,el)),[mySize])
case ('ee') case ('ee')
Ee = 0.5_pReal * (math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,g,i,e)), crystallite_Fe(1:3,1:3,g,i,e)) - math_I3) Ee = 0.5_pReal * (math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,gr,ip,el)), crystallite_Fe(1:3,1:3,gr,ip,el)) - math_I3)
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(Ee,[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(Ee,[mySize])
case ('fp') case ('fp')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Fp(1:3,1:3,g,i,e)),[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Fp(1:3,1:3,gr,ip,el)),[mySize])
case ('lp') case ('lp')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Lp(1:3,1:3,g,i,e)),[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_Lp(1:3,1:3,gr,ip,el)),[mySize])
case ('p','firstpiola','1stpiola') case ('p','firstpiola','1stpiola')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_P(1:3,1:3,g,i,e)),[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(math_transpose33(crystallite_P(1:3,1:3,gr,ip,el)),[mySize])
case ('s','tstar','secondpiola','2ndpiola') case ('s','tstar','secondpiola','2ndpiola')
mySize = 9_pInt mySize = 9_pInt
crystallite_postResults(c+1:c+mySize) = reshape(math_Mandel6to33(crystallite_Tstar_v(1:6,g,i,e)),[mySize]) crystallite_postResults(c+1:c+mySize) = reshape(math_Mandel6to33(crystallite_Tstar_v(1:6,gr,ip,el)),[mySize])
case ('elasmatrix') case ('elasmatrix')
mySize = 36_pInt mySize = 36_pInt
crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(g,i,e),(/mySize/)) crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(gr,ip,el),[mySize])
case('neighboringelement')
mySize = mesh_maxNipNeighbors
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
forall (n = 1_pInt:FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))) &
crystallite_postResults(c+n) = real(mesh_ipNeighborhood(1,n,ip,el),pReal)
case('neighboringip')
mySize = mesh_maxNipNeighbors
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
forall (n = 1_pInt:FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))) &
crystallite_postResults(c+n) = real(mesh_ipNeighborhood(2,n,ip,el),pReal)
end select end select
c = c + mySize c = c + mySize
enddo enddo
crystallite_postResults(c+1) = real(constitutive_sizePostResults(g,i,e),pReal) ! size of constitutive results crystallite_postResults(c+1) = real(constitutive_sizePostResults(gr,ip,el),pReal) ! size of constitutive results
c = c + 1_pInt c = c + 1_pInt
if (constitutive_sizePostResults(g,i,e) > 0_pInt) & if (constitutive_sizePostResults(gr,ip,el) > 0_pInt) &
crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = constitutive_postResults(crystallite_Tstar_v(1:6,g,i,e), & crystallite_postResults(c+1:c+constitutive_sizePostResults(gr,ip,el)) = constitutive_postResults(crystallite_Tstar_v(1:6,gr,ip,el), &
crystallite_Fe, & crystallite_Fe, &
crystallite_Temperature(g,i,e), & crystallite_Temperature(gr,ip,el), &
dt, g, i, e) dt, gr, ip, el)
c = c + constitutive_sizePostResults(g,i,e) c = c + constitutive_sizePostResults(gr,ip,el)
end function crystallite_postResults end function crystallite_postResults