Merge branch '46-simplification-of-crystallite-f90-NEW4' into development
This commit is contained in:
Martin Diehl
commit
e112804e89
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@ -43,7 +43,6 @@ module crystallite
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crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc ToDo: Should be called S, 3x3
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crystallite_partionedTstar0_v !< 2nd Piola-Kirchhoff stress vector at start of homog inc ToDo: Should be called S, 3x3
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real(pReal), dimension(:,:,:,:), allocatable, private :: &
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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) in crystal reference frame
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@ -205,7 +204,6 @@ subroutine crystallite_init
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! ToDo (when working on homogenization): should be 3x3 tensor called S
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allocate(crystallite_Tstar0_v(6,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_partionedTstar0_v(6,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_subTstar0_v(6,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_Tstar_v(6,cMax,iMax,eMax), source=0.0_pReal)
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! ---------------------------------------------------------------------------
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@ -401,7 +399,7 @@ subroutine crystallite_init
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
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call constitutive_microstructure(crystallite_orientation, & ! pass orientation to constitutive module
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call constitutive_microstructure(crystallite_orientation, &
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crystallite_Fe(1:3,1:3,c,i,e), &
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crystallite_Fp(1:3,1:3,c,i,e), &
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c,i,e) ! update dependent state variables to be consistent with basic states
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@ -458,8 +456,8 @@ function crystallite_stress()
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use math, only: &
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math_inv33, &
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math_mul33x33, &
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math_Mandel6to33, &
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math_Mandel33to6
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math_6toSym33, &
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math_sym33to6
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use mesh, only: &
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mesh_NcpElems, &
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mesh_element, &
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@ -528,7 +526,7 @@ function crystallite_stress()
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crystallite_subFi0(1:3,1:3,c,i,e) = crystallite_partionedFi0(1:3,1:3,c,i,e)
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crystallite_subLi0(1:3,1:3,c,i,e) = crystallite_partionedLi0(1:3,1:3,c,i,e)
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crystallite_subF0(1:3,1:3,c,i,e) = crystallite_partionedF0(1:3,1:3,c,i,e)
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crystallite_subS0(1:3,1:3,c,i,e) = math_Mandel6to33(crystallite_partionedTstar0_v(1:6,c,i,e))
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crystallite_subS0(1:3,1:3,c,i,e) = math_6toSym33(crystallite_partionedTstar0_v(1:6,c,i,e))
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crystallite_subFrac(c,i,e) = 0.0_pReal
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crystallite_subStep(c,i,e) = 1.0_pReal/subStepSizeCryst
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crystallite_todo(c,i,e) = .true.
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@ -572,7 +570,7 @@ function crystallite_stress()
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crystallite_subLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e)
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crystallite_subFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e)
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crystallite_subFi0(1:3,1:3,c,i,e) = crystallite_Fi (1:3,1:3,c,i,e)
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crystallite_subS0 (1:3,1:3,c,i,e) = math_mandel6to33(crystallite_Tstar_v(1:6,c,i,e))
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crystallite_subS0 (1:3,1:3,c,i,e) = math_6toSym33(crystallite_Tstar_v(1:6,c,i,e))
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!if abbrevation, make c and p private in omp
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plasticState( phaseAt(c,i,e))%subState0(:,phasememberAt(c,i,e)) &
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= plasticState(phaseAt(c,i,e))%state( :,phasememberAt(c,i,e))
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@ -600,7 +598,7 @@ function crystallite_stress()
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crystallite_invFi(1:3,1:3,c,i,e) = math_inv33(crystallite_Fi (1:3,1:3,c,i,e))
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crystallite_Lp (1:3,1:3,c,i,e) = crystallite_subLp0(1:3,1:3,c,i,e)
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crystallite_Li (1:3,1:3,c,i,e) = crystallite_subLi0(1:3,1:3,c,i,e)
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crystallite_Tstar_v(1:6,c,i,e) = math_mandel33to6(crystallite_subS0(1:3,1:3,c,i,e))
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crystallite_Tstar_v(1:6,c,i,e) = math_sym33to6(crystallite_subS0(1:3,1:3,c,i,e))
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plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e)) &
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= plasticState(phaseAt(c,i,e))%subState0(:,phasememberAt(c,i,e))
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do s = 1_pInt, phase_Nsources(phaseAt(c,i,e))
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@ -721,10 +719,9 @@ subroutine crystallite_stressTangent()
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math_inv33, &
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math_identity2nd, &
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math_mul33x33, &
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math_Mandel6to33, &
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math_Mandel33to6, &
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math_Plain3333to99, &
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math_Plain99to3333, &
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math_6toSym33, &
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math_3333to99, &
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math_99to3333, &
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math_I3, &
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math_mul3333xx3333, &
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math_mul33xx33, &
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@ -791,13 +788,13 @@ subroutine crystallite_stressTangent()
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rhs_3333(1:3,1:3,o,p) = rhs_3333(1:3,1:3,o,p) &
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- crystallite_subdt(c,i,e)*math_mul33x33(invSubFi0,dLidS(1:3,1:3,o,p))
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enddo;enddo
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call math_invert2(temp_99,error,math_Plain3333to99(lhs_3333))
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call math_invert2(temp_99,error,math_3333to99(lhs_3333))
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if (error) then
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call IO_warning(warning_ID=600_pInt,el=e,ip=i,g=c, &
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ext_msg='inversion error in analytic tangent calculation')
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dFidS = 0.0_pReal
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else
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dFidS = math_mul3333xx3333(math_Plain99to3333(temp_99),rhs_3333)
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dFidS = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
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endif
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dLidS = math_mul3333xx3333(dLidFi,dFidS) + dLidS
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endif
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@ -817,57 +814,57 @@ subroutine crystallite_stressTangent()
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crystallite_invFp (1:3,1:3,c,i,e)), &
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math_inv33(crystallite_subFi0(1:3,1:3,c,i,e)))
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do concurrent(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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rhs_3333(p,o,1:3,1:3) = math_mul33x33(dSdFe(p,o,1:3,1:3),temp_33_1)
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temp_3333(1:3,1:3,p,o) = math_mul33x33(math_mul33x33(temp_33_2,dLpdS(1:3,1:3,p,o)), &
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crystallite_invFi(1:3,1:3,c,i,e)) &
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+ math_mul33x33(temp_33_3,dLidS(1:3,1:3,p,o))
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enddo
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end forall
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lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) + &
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math_mul3333xx3333(dSdFi,dFidS)
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call math_invert2(temp_99,error,math_identity2nd(9_pInt)+math_Plain3333to99(lhs_3333))
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call math_invert2(temp_99,error,math_identity2nd(9_pInt)+math_3333to99(lhs_3333))
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if (error) then
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call IO_warning(warning_ID=600_pInt,el=e,ip=i,g=c, &
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ext_msg='inversion error in analytic tangent calculation')
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dSdF = rhs_3333
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else
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dSdF = math_mul3333xx3333(math_Plain99to3333(temp_99),rhs_3333)
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dSdF = math_mul3333xx3333(math_99to3333(temp_99),rhs_3333)
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endif
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!--------------------------------------------------------------------------------------------------
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! calculate dFpinvdF
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temp_3333 = math_mul3333xx3333(dLpdS,dSdF)
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do concurrent(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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dFpinvdF(1:3,1:3,p,o) &
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= -crystallite_subdt(c,i,e) &
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* math_mul33x33(math_inv33(crystallite_subFp0(1:3,1:3,c,i,e)), &
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math_mul33x33(temp_3333(1:3,1:3,p,o),crystallite_invFi(1:3,1:3,c,i,e)))
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enddo
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end forall
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!--------------------------------------------------------------------------------------------------
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! assemble dPdF
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temp_33_1 = math_mul33x33(crystallite_invFp(1:3,1:3,c,i,e), &
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math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)), &
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math_mul33x33(math_6toSym33(crystallite_Tstar_v(1:6,c,i,e)), &
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transpose(crystallite_invFp(1:3,1:3,c,i,e))))
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temp_33_2 = math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)), &
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temp_33_2 = math_mul33x33(math_6toSym33(crystallite_Tstar_v(1:6,c,i,e)), &
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transpose(crystallite_invFp(1:3,1:3,c,i,e)))
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temp_33_3 = math_mul33x33(crystallite_subF(1:3,1:3,c,i,e), &
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crystallite_invFp(1:3,1:3,c,i,e))
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temp_33_4 = math_mul33x33(math_mul33x33(crystallite_subF(1:3,1:3,c,i,e), &
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crystallite_invFp(1:3,1:3,c,i,e)), &
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math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)))
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math_6toSym33(crystallite_Tstar_v(1:6,c,i,e)))
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crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.0_pReal
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do p=1_pInt, 3_pInt
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crystallite_dPdF(p,1:3,p,1:3,c,i,e) = transpose(temp_33_1)
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enddo
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do concurrent(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
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math_mul33x33(math_mul33x33(crystallite_subF(1:3,1:3,c,i,e),dFpinvdF(1:3,1:3,p,o)),temp_33_2) + &
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math_mul33x33(math_mul33x33(temp_33_3,dSdF(1:3,1:3,p,o)),transpose(crystallite_invFp(1:3,1:3,c,i,e))) + &
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math_mul33x33(temp_33_4,transpose(dFpinvdF(1:3,1:3,p,o)))
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enddo
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end forall
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enddo; enddo
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enddo elementLooping
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@ -1037,22 +1034,14 @@ logical function integrateStress(&
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use math, only: math_mul33x33, &
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math_mul33xx33, &
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math_mul3333xx3333, &
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math_mul66x6, &
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math_mul99x99, &
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math_inv33, &
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math_det33, &
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math_I3, &
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math_identity2nd, &
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math_Mandel66to3333, &
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math_Mandel6to33, &
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math_Mandel33to6, &
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math_Plain3333to99, &
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math_Plain33to9, &
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math_Plain9to33, &
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math_Plain99to3333
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#ifdef DEBUG
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use mesh, only: mesh_element
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#endif
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math_sym33to6, &
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math_3333to99, &
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math_33to9, &
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math_9to33
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implicit none
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integer(pInt), intent(in):: el, & ! element index
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@ -1060,10 +1049,7 @@ logical function integrateStress(&
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ipc ! grain index
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real(pReal), optional, intent(in) :: timeFraction ! fraction of timestep
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!*** local variables ***!
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real(pReal), dimension(3,3):: Fg_new, & ! deformation gradient at end of timestep
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Fp_current, & ! plastic deformation gradient at start of timestep
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Fi_current, & ! intermediate deformation gradient at start of timestep
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Fp_new, & ! plastic deformation gradient at end of timestep
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Fe_new, & ! elastic deformation gradient at end of timestep
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invFp_new, & ! inverse of Fp_new
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@ -1083,17 +1069,16 @@ logical function integrateStress(&
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residuumLi, & ! current residuum of intermediate velocity gradient
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residuumLi_old, & ! last residuum of intermediate velocity gradient
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deltaLi, & ! direction of next guess
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Tstar, & ! 2nd Piola-Kirchhoff Stress in plastic (lattice) configuration
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S, & ! 2nd Piola-Kirchhoff Stress in plastic (lattice) configuration
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A, &
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B, &
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Fe, & ! elastic deformation gradient
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temp_33
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real(pReal), dimension(6):: Tstar_v ! 2nd Piola-Kirchhoff Stress in Mandel-Notation
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real(pReal), dimension(9):: work ! needed for matrix inversion by LAPACK
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integer(pInt), dimension(9) :: ipiv ! needed for matrix inversion by LAPACK
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real(pReal), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for NEwton-Raphson scheme)
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integer(pInt), dimension(9) :: devNull ! needed for matrix inversion by LAPACK
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real(pReal), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for Newton-Raphson scheme)
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dRLp_dLp2, & ! working copy of dRdLp
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dRLi_dLi ! partial derivative of residuumI (Jacobian for NEwton-Raphson scheme)
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dRLi_dLi ! partial derivative of residuumI (Jacobian for Newton-Raphson scheme)
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real(pReal), dimension(3,3,3,3):: dS_dFe, & ! partial derivative of 2nd Piola-Kirchhoff stress
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dS_dFi, &
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dFe_dLp, & ! partial derivative of elastic deformation gradient
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@ -1128,8 +1113,6 @@ logical function integrateStress(&
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress at el ip ipc ',el,ip,ipc
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#endif
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!* only integrate over fraction of timestep?
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if (present(timeFraction)) then
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dt = crystallite_subdt(ipc,ip,el) * timeFraction
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Fg_new = crystallite_subF0(1:3,1:3,ipc,ip,el) &
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@ -1141,47 +1124,36 @@ logical function integrateStress(&
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!* feed local variables
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Fp_current = crystallite_subFp0(1:3,1:3,ipc,ip,el) ! "Fp_current" is only used as temp var here...
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Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! ... and take it as first guess
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Fi_current = crystallite_subFi0(1:3,1:3,ipc,ip,el) ! intermediate configuration, assume decomposition as F = Fe Fi Fp
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Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! ... and take it as first guess
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Liguess_old = Liguess
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!* inversion of Fp_current...
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invFp_current = math_inv33(Fp_current)
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invFp_current = math_inv33(crystallite_subFp0(1:3,1:3,ipc,ip,el))
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failedInversionFp: if (all(dEq0(invFp_current))) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fp_current at el (elFE) ip ipc ',&
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el,'(',mesh_element(1,el),')',ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of current Fp at el ip ipc ',&
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el,ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) &
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',transpose(Fp_current(1:3,1:3))
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endif
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> current Fp ',transpose(crystallite_subFp0(1:3,1:3,ipc,ip,el))
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#endif
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return
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endif failedInversionFp
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A = math_mul33x33(Fg_new,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
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!* inversion of Fi_current...
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invFi_current = math_inv33(Fi_current)
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invFi_current = math_inv33(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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failedInversionFi: if (all(dEq0(invFi_current))) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fi_current at el (elFE) ip ipc ',&
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el,'(',mesh_element(1,el),')',ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of current Fi at el ip ipc ',&
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el,ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) &
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',transpose(Fi_current(1:3,1:3))
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endif
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write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> current Fi ',transpose(crystallite_subFi0(1:3,1:3,ipc,ip,el))
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#endif
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return
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endif failedInversionFi
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!* start LpLoop with normal step length
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!* start Li loop with normal step length
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NiterationStressLi = 0_pInt
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jacoCounterLi = 0_pInt
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steplengthLi = 1.0_pReal
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@ -1189,45 +1161,47 @@ logical function integrateStress(&
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LiLoop: do
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NiterationStressLi = NiterationStressLi + 1_pInt
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IloopsExeced: if (NiterationStressLi > nStress) then
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LiLoopLimit: if (NiterationStressLi > nStress) then
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#ifdef DEBUG
|
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
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write(6,'(a,i3,a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached inelastic loop limit',nStress, &
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' at el (elFE) ip ipc ', el,'(',mesh_element(1,el),')',ip,ipc
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached Li loop limit',nStress, &
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' at el ip ipc ', el,ip,ipc
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#endif
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return
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endif IloopsExeced
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endif LiLoopLimit
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invFi_new = math_mul33x33(invFi_current,math_I3 - dt*Liguess)
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Fi_new = math_inv33(invFi_new)
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detInvFi = math_det33(invFi_new)
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!* start Lp loop with normal step length
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NiterationStressLp = 0_pInt
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jacoCounterLp = 0_pInt
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steplengthLp = 1.0_pReal
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residuumLp_old = 0.0_pReal
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Lpguess_old = Lpguess
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LpLoop: do ! inner stress integration loop for consistency with Fi
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LpLoop: do
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NiterationStressLp = NiterationStressLp + 1_pInt
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loopsExeced: if (NiterationStressLp > nStress) then
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LpLoopLimit: if (NiterationStressLp > nStress) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
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write(6,'(a,i3,a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached loop limit',nStress, &
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' at el (elFE) ip ipc ', el,'(',mesh_element(1,el),')',ip,ipc
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached Lp loop limit',nStress, &
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' at el ip ipc ', el,ip,ipc
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#endif
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return
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endif loopsExeced
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endif LpLoopLimit
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!* calculate (elastic) 2nd Piola--Kirchhoff stress tensor and its tangent from constitutive law
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B = math_I3 - dt*Lpguess
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Fe = math_mul33x33(math_mul33x33(A,B), invFi_new) ! current elastic deformation tensor
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call constitutive_SandItsTangents(Tstar, dS_dFe, dS_dFi, &
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Fe = math_mul33x33(math_mul33x33(A,B), invFi_new)
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call constitutive_SandItsTangents(S, dS_dFe, dS_dFi, &
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Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration
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Tstar_v = math_Mandel33to6(Tstar)
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!* calculate plastic velocity gradient and its tangent from constitutive law
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call constitutive_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
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math_sym33to6(S), Fi_new, ipc, ip, el)
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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@ -1237,32 +1211,21 @@ logical function integrateStress(&
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lpguess', transpose(Lpguess)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fi', transpose(Fi_new)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fe', transpose(Fe)
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write(6,'(a,/,6(e20.10,1x))') '<< CRYST >> Tstar', Tstar_v
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endif
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#endif
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call constitutive_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
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Tstar_v, Fi_new, ipc, ip, el)
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> S', transpose(S)
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write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lp_constitutive', transpose(Lp_constitutive)
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endif
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#endif
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!* update current residuum and check for convergence of loop
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aTolLp = max(rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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aTol_crystalliteStress) ! minimum lower cutoff
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residuumLp = Lpguess - Lp_constitutive
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if (any(IEEE_is_NaN(residuumLp))) then ! NaN in residuum...
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if (any(IEEE_is_NaN(residuumLp))) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
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write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN at el (elFE) ip ipc ', &
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el,'(',mesh_element(1,el),')',ip,ipc, &
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write(6,'(a,i8,1x,i2,1x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN for Lp-residuum at el ip ipc ', &
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el,ip,ipc, &
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' ; iteration ', NiterationStressLp,&
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' >> returning..!'
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#endif
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@ -1289,40 +1252,38 @@ logical function integrateStress(&
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!* calculate Jacobian for correction term
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||||
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if (mod(jacoCounterLp, iJacoLpresiduum) == 0_pInt) then
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dFe_dLp = 0.0_pReal
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forall(o=1_pInt:3_pInt,p=1_pInt:3_pInt) &
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dFe_dLp(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
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dFe_dLp = - dt * dFe_dLp
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dRLp_dLp = math_identity2nd(9_pInt) &
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- math_Plain3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
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- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dLp_dS', math_Plain3333to99(dLp_dS)
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write(6,'(a,1x,e20.10)') '<< CRYST >> dLp_dS norm', norm2(math_Plain3333to99(dLp_dS))
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write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dLp_dS', math_3333to99(dLp_dS)
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write(6,'(a,1x,e20.10)') '<< CRYST >> dLp_dS norm', norm2(math_3333to99(dLp_dS))
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write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dRLp_dLp', dRLp_dLp - math_identity2nd(9_pInt)
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write(6,'(a,1x,e20.10)') '<< CRYST >> dRLp_dLp norm', norm2(dRLp_dLp - math_identity2nd(9_pInt))
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||||
endif
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||||
#endif
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||||
dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine
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work = math_plain33to9(residuumLp)
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call dgesv(9,1,dRLp_dLp2,9,ipiv,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
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work = math_33to9(residuumLp)
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call dgesv(9,1,dRLp_dLp2,9,devNull,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
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if (ierr /= 0_pInt) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on dR/dLp inversion at el (elFE) ip ipc ', &
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el,'(',mesh_element(1,el),')',ip,ipc
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on dR/dLp inversion at el ip ipc ', &
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el,ip,ipc
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g)&
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.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,*)
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dR_dLp',transpose(dRLp_dLp)
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLp',transpose(math_Plain3333to99(dFe_dLp))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dS_dFe_constitutive',transpose(math_Plain3333to99(dS_dFe))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLp_dS_constitutive',transpose(math_Plain3333to99(dLp_dS))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLp',transpose(math_3333to99(dFe_dLp))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dS_dFe_constitutive',transpose(math_3333to99(dS_dFe))
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write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLp_dS_constitutive',transpose(math_3333to99(dLp_dS))
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> A',transpose(A)
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> B',transpose(B)
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive',transpose(Lp_constitutive)
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@ -1332,18 +1293,17 @@ logical function integrateStress(&
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#endif
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return
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endif
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deltaLp = - math_plain9to33(work)
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deltaLp = - math_9to33(work)
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||||
endif
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||||
jacoCounterLp = jacoCounterLp + 1_pInt ! increase counter for jaco update
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||||
jacoCounterLp = jacoCounterLp + 1_pInt
|
||||
|
||||
Lpguess = Lpguess + steplengthLp * deltaLp
|
||||
|
||||
enddo LpLoop
|
||||
|
||||
!* calculate intermediate velocity gradient and its tangent from constitutive law
|
||||
|
||||
call constitutive_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
|
||||
Tstar_v, Fi_new, ipc, ip, el)
|
||||
math_sym33to6(S), Fi_new, ipc, ip, el)
|
||||
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
|
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@ -1353,12 +1313,19 @@ logical function integrateStress(&
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write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Liguess', transpose(Liguess)
|
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endif
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||||
#endif
|
||||
!* update current residuum and check for convergence of loop
|
||||
|
||||
!* update current residuum and check for convergence of loop
|
||||
aTolLi = max(rTol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
|
||||
aTol_crystalliteStress) ! minimum lower cutoff
|
||||
residuumLi = Liguess - Li_constitutive
|
||||
if (any(IEEE_is_NaN(residuumLi))) then ! NaN in residuum...
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a,i8,1x,i2,1x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN for Li-residuum at el ip ipc ', &
|
||||
el,ip,ipc, &
|
||||
' ; iteration ', NiterationStressLi,&
|
||||
' >> returning..!'
|
||||
#endif
|
||||
return ! ...me = .false. to inform integrator about problem
|
||||
elseif (norm2(residuumLi) < aTolLi) then ! converged if below absolute tolerance
|
||||
exit LiLoop ! ...leave iteration loop
|
||||
|
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@ -1374,11 +1341,8 @@ logical function integrateStress(&
|
|||
endif
|
||||
|
||||
!* calculate Jacobian for correction term
|
||||
|
||||
if (mod(jacoCounterLi, iJacoLpresiduum) == 0_pInt) then
|
||||
temp_33 = math_mul33x33(math_mul33x33(A,B),invFi_current)
|
||||
dFe_dLi = 0.0_pReal
|
||||
dFi_dLi = 0.0_pReal
|
||||
forall(o=1_pInt:3_pInt,p=1_pInt:3_pInt)
|
||||
dFe_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*temp_33 ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
|
||||
dFi_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*invFi_current
|
||||
|
|
@ -1387,24 +1351,24 @@ logical function integrateStress(&
|
|||
dFi_dLi(1:3,1:3,o,p) = math_mul33x33(math_mul33x33(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
|
||||
|
||||
dRLi_dLi = math_identity2nd(9_pInt) &
|
||||
- math_Plain3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) + &
|
||||
- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) + &
|
||||
math_mul3333xx3333(dS_dFi, dFi_dLi))) &
|
||||
- math_Plain3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
|
||||
work = math_plain33to9(residuumLi)
|
||||
call dgesv(9,1,dRLi_dLi,9,ipiv,work,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
|
||||
- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
|
||||
work = math_33to9(residuumLi)
|
||||
call dgesv(9,1,dRLi_dLi,9,devNull,work,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
|
||||
if (ierr /= 0_pInt) then
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on dR/dLi inversion at el (elFE) ip ipc ', &
|
||||
el,'(',mesh_element(1,el),')',ip,ipc
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on dR/dLi inversion at el ip ipc ', &
|
||||
el,ip,ipc
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g)&
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,*)
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dR_dLi',transpose(dRLi_dLi)
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLi',transpose(math_Plain3333to99(dFe_dLi))
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dS_dFi_constitutive',transpose(math_Plain3333to99(dS_dFi))
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLi_dS_constitutive',transpose(math_Plain3333to99(dLi_dS))
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLi',transpose(math_3333to99(dFe_dLi))
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dS_dFi_constitutive',transpose(math_3333to99(dS_dFi))
|
||||
write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLi_dS_constitutive',transpose(math_3333to99(dLi_dS))
|
||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Li_constitutive',transpose(Li_constitutive)
|
||||
write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Liguess',transpose(Liguess)
|
||||
endif
|
||||
|
|
@ -1413,23 +1377,22 @@ logical function integrateStress(&
|
|||
return
|
||||
endif
|
||||
|
||||
deltaLi = - math_plain9to33(work)
|
||||
deltaLi = - math_9to33(work)
|
||||
endif
|
||||
jacoCounterLi = jacoCounterLi + 1_pInt ! increase counter for jaco update
|
||||
jacoCounterLi = jacoCounterLi + 1_pInt
|
||||
|
||||
Liguess = Liguess + steplengthLi * deltaLi
|
||||
enddo LiLoop
|
||||
|
||||
!* calculate new plastic and elastic deformation gradient
|
||||
|
||||
invFp_new = math_mul33x33(invFp_current,B)
|
||||
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
|
||||
invFp_new = invFp_new / math_det33(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize
|
||||
Fp_new = math_inv33(invFp_new)
|
||||
failedInversionInvFp: if (all(dEq0(Fp_new))) then
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el (elFE) ip ipc ',&
|
||||
el,'(',mesh_element(1,el),')',ip,ipc, ' ; iteration ', NiterationStressLp
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip ipc ', &
|
||||
el,ip,ipc
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) &
|
||||
|
|
@ -1438,28 +1401,22 @@ logical function integrateStress(&
|
|||
#endif
|
||||
return
|
||||
endif failedInversionInvFp
|
||||
Fe_new = math_mul33x33(math_mul33x33(Fg_new,invFp_new),invFi_new) ! calc resulting Fe
|
||||
|
||||
!* calculate 1st Piola-Kirchhoff stress
|
||||
Fe_new = math_mul33x33(math_mul33x33(Fg_new,invFp_new),invFi_new)
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!--------------------------------------------------------------------------------------------------
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! stress integration was successful
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integrateStress = .true.
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crystallite_P (1:3,1:3,ipc,ip,el) = math_mul33x33(math_mul33x33(Fg_new,invFp_new), &
|
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math_mul33x33(math_Mandel6to33(Tstar_v), &
|
||||
transpose(invFp_new)))
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||||
|
||||
!* store local values in global variables
|
||||
|
||||
math_mul33x33(S,transpose(invFp_new)))
|
||||
crystallite_Tstar_v (1:6,ipc,ip,el) = math_sym33to6(S)
|
||||
crystallite_Lp (1:3,1:3,ipc,ip,el) = Lpguess
|
||||
crystallite_Li (1:3,1:3,ipc,ip,el) = Liguess
|
||||
crystallite_Tstar_v(1:6,ipc,ip,el) = Tstar_v
|
||||
crystallite_Fp (1:3,1:3,ipc,ip,el) = Fp_new
|
||||
crystallite_Fi (1:3,1:3,ipc,ip,el) = Fi_new
|
||||
crystallite_Fe (1:3,1:3,ipc,ip,el) = Fe_new
|
||||
crystallite_invFp(1:3,1:3,ipc,ip,el) = invFp_new
|
||||
crystallite_invFi(1:3,1:3,ipc,ip,el) = invFi_new
|
||||
|
||||
!* set return flag to true
|
||||
|
||||
integrateStress = .true.
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
|
||||
|
|
@ -1468,7 +1425,7 @@ logical function integrateStress(&
|
|||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Cauchy / MPa', &
|
||||
math_mul33x33(crystallite_P(1:3,1:3,ipc,ip,el), transpose(Fg_new)) * 1.0e-6_pReal / math_det33(Fg_new)
|
||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fe Lp Fe^-1', &
|
||||
transpose(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,ipc,ip,el), math_inv33(Fe_new)))) ! transpose to get correct print out order
|
||||
transpose(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,ipc,ip,el), math_inv33(Fe_new))))
|
||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp',transpose(crystallite_Fp(1:3,1:3,ipc,ip,el))
|
||||
write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fi',transpose(crystallite_Fi(1:3,1:3,ipc,ip,el))
|
||||
endif
|
||||
|
|
@ -1550,7 +1507,7 @@ function crystallite_postResults(ipc, ip, el)
|
|||
math_det33, &
|
||||
math_I3, &
|
||||
inDeg, &
|
||||
math_Mandel6to33
|
||||
math_6toSym33
|
||||
use mesh, only: &
|
||||
mesh_element, &
|
||||
mesh_ipVolume, &
|
||||
|
|
@ -1659,7 +1616,7 @@ function crystallite_postResults(ipc, ip, el)
|
|||
case (s_ID)
|
||||
mySize = 9_pInt
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(math_Mandel6to33(crystallite_Tstar_v(1:6,ipc,ip,el)),[mySize])
|
||||
reshape(math_6toSym33(crystallite_Tstar_v(1:6,ipc,ip,el)),[mySize])
|
||||
case (elasmatrix_ID)
|
||||
mySize = 36_pInt
|
||||
crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(ipc,ip,el),[mySize])
|
||||
|
|
|
|||
Loading…
Reference in New Issue