cleaning+renaming
This commit is contained in:
Martin Diehl
parent
36affc93bf
commit
935b531d27
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@ -973,8 +973,7 @@ subroutine crystallite_init
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do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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call constitutive_plastic_dependentState(crystallite_partitionedF0(1:3,1:3,co,ip,el), &
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co,ip,el) ! update dependent state variables to be consistent with basic states
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call constitutive_plastic_dependentState(crystallite_partitionedF0(1:3,1:3,co,ip,el),co,ip,el) ! update dependent state variables to be consistent with basic states
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enddo
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enddo
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enddo
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@ -1035,66 +1034,63 @@ function crystallite_stress(dt,co,ip,el)
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!--------------------------------------------------------------------------------------------------
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! wind forward
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if (crystallite_converged(co,ip,el)) then
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formerSubStep = subStep
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subFrac = subFrac + subStep
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subStep = min(1.0_pReal - subFrac, num%stepIncreaseCryst * subStep)
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if (crystallite_converged(co,ip,el)) then
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formerSubStep = subStep
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subFrac = subFrac + subStep
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subStep = min(1.0_pReal - subFrac, num%stepIncreaseCryst * subStep)
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todo = subStep > 0.0_pReal ! still time left to integrate on?
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if (todo) then
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crystallite_subF0 (1:3,1:3,co,ip,el) = crystallite_subF(1:3,1:3,co,ip,el)
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subLp0 = crystallite_Lp (1:3,1:3,co,ip,el)
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subLi0 = constitutive_mech_Li(ph)%data(1:3,1:3,me)
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crystallite_subFp0(1:3,1:3,co,ip,el) = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
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crystallite_subFi0(1:3,1:3,co,ip,el) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
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plasticState( material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el)) &
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= plasticState(material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el))
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do s = 1, phase_Nsources(material_phaseAt(co,el))
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sourceState( material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el)) &
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= sourceState(material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el))
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enddo
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endif
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todo = subStep > 0.0_pReal ! still time left to integrate on?
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if (todo) then
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crystallite_subF0 (1:3,1:3,co,ip,el) = crystallite_subF(1:3,1:3,co,ip,el)
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subLp0 = crystallite_Lp (1:3,1:3,co,ip,el)
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subLi0 = constitutive_mech_Li(ph)%data(1:3,1:3,me)
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crystallite_subFp0(1:3,1:3,co,ip,el) = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
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crystallite_subFi0(1:3,1:3,co,ip,el) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
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plasticState( material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el)) &
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= plasticState(material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el))
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do s = 1, phase_Nsources(material_phaseAt(co,el))
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sourceState( material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el)) &
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= sourceState(material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el))
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enddo
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endif
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!--------------------------------------------------------------------------------------------------
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! cut back (reduced time and restore)
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else
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subStep = num%subStepSizeCryst * subStep
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constitutive_mech_Fp(ph)%data(1:3,1:3,me) = crystallite_subFp0(1:3,1:3,co,ip,el)
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constitutive_mech_Fi(ph)%data(1:3,1:3,me) = crystallite_subFi0(1:3,1:3,co,ip,el)
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crystallite_S (1:3,1:3,co,ip,el) = crystallite_S0 (1:3,1:3,co,ip,el)
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if (subStep < 1.0_pReal) then ! actual (not initial) cutback
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crystallite_Lp (1:3,1:3,co,ip,el) = subLp0
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constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0
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endif
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plasticState (material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el)) &
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= plasticState(material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el))
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do s = 1, phase_Nsources(material_phaseAt(co,el))
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sourceState( material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el)) &
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= sourceState(material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el))
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enddo
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else
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subStep = num%subStepSizeCryst * subStep
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constitutive_mech_Fp(ph)%data(1:3,1:3,me) = crystallite_subFp0(1:3,1:3,co,ip,el)
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constitutive_mech_Fi(ph)%data(1:3,1:3,me) = crystallite_subFi0(1:3,1:3,co,ip,el)
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crystallite_S (1:3,1:3,co,ip,el) = crystallite_S0 (1:3,1:3,co,ip,el)
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if (subStep < 1.0_pReal) then ! actual (not initial) cutback
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crystallite_Lp (1:3,1:3,co,ip,el) = subLp0
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constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0
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endif
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plasticState (material_phaseAt(co,el))%state( :,material_phaseMemberAt(co,ip,el)) &
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= plasticState(material_phaseAt(co,el))%subState0(:,material_phaseMemberAt(co,ip,el))
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do s = 1, phase_Nsources(material_phaseAt(co,el))
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sourceState( material_phaseAt(co,el))%p(s)%state( :,material_phaseMemberAt(co,ip,el)) &
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= sourceState(material_phaseAt(co,el))%p(s)%subState0(:,material_phaseMemberAt(co,ip,el))
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enddo
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)
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endif
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)
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endif
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!--------------------------------------------------------------------------------------------------
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! prepare for integration
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if (todo) then
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crystallite_subF(1:3,1:3,co,ip,el) = crystallite_subF0(1:3,1:3,co,ip,el) &
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+ subStep *( crystallite_partitionedF (1:3,1:3,co,ip,el) &
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-crystallite_partitionedF0(1:3,1:3,co,ip,el))
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crystallite_Fe(1:3,1:3,co,ip,el) = matmul(crystallite_subF(1:3,1:3,co,ip,el), &
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math_inv33(matmul(constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fp(ph)%data(1:3,1:3,me))))
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crystallite_subdt(co,ip,el) = subStep * dt
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crystallite_converged(co,ip,el) = .false.
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call integrateState(co,ip,el)
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call integrateSourceState(co,ip,el)
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endif
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if (todo) then
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crystallite_subF(1:3,1:3,co,ip,el) = crystallite_subF0(1:3,1:3,co,ip,el) &
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+ subStep *( crystallite_partitionedF (1:3,1:3,co,ip,el) &
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-crystallite_partitionedF0(1:3,1:3,co,ip,el))
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crystallite_Fe(1:3,1:3,co,ip,el) = matmul(crystallite_subF(1:3,1:3,co,ip,el), &
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math_inv33(matmul(constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fp(ph)%data(1:3,1:3,me))))
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crystallite_subdt(co,ip,el) = subStep * dt
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crystallite_converged(co,ip,el) = .false.
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call integrateState(co,ip,el)
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call integrateSourceState(co,ip,el)
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endif
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if (.not. crystallite_converged(co,ip,el) .and. subStep > num%subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
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todo = .true.
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enddo cutbackLooping
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! return whether converged or not
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@ -791,6 +791,8 @@ function integrateStress(co,ip,el,timeFraction) result(broken)
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o, &
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p, &
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m, &
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ph, &
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me, &
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jacoCounterLp, &
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jacoCounterLi ! counters to check for Jacobian update
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logical :: error,broken
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@ -808,11 +810,11 @@ function integrateStress(co,ip,el,timeFraction) result(broken)
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call constitutive_plastic_dependentState(crystallite_partitionedF(1:3,1:3,co,ip,el),co,ip,el)
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p = material_phaseAt(co,el)
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m = material_phaseMemberAt(co,ip,el)
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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Lpguess = crystallite_Lp(1:3,1:3,co,ip,el) ! take as first guess
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Liguess = constitutive_mech_Li(p)%data(1:3,1:3,m) ! take as first guess
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Liguess = constitutive_mech_Li(ph)%data(1:3,1:3,me) ! take as first guess
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call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,co,ip,el))
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if (error) return ! error
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@ -941,15 +943,12 @@ function integrateStress(co,ip,el,timeFraction) result(broken)
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call math_invert33(Fp_new,devNull,error,invFp_new)
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if (error) return ! error
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p = material_phaseAt(co,el)
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m = material_phaseMemberAt(co,ip,el)
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crystallite_P (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
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crystallite_S (1:3,1:3,co,ip,el) = S
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crystallite_Lp (1:3,1:3,co,ip,el) = Lpguess
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constitutive_mech_Li(p)%data(1:3,1:3,m) = Liguess
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constitutive_mech_Fp(p)%data(1:3,1:3,m) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
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constitutive_mech_Fi(p)%data(1:3,1:3,m) = Fi_new
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constitutive_mech_Li(ph)%data(1:3,1:3,me) = Liguess
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constitutive_mech_Fp(ph)%data(1:3,1:3,me) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
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constitutive_mech_Fi(ph)%data(1:3,1:3,me) = Fi_new
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crystallite_Fe (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),invFi_new)
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broken = .false.
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@ -970,17 +969,13 @@ module subroutine integrateStateFPI(co,ip,el)
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NiterationState, & !< number of iterations in state loop
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ph, &
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me, &
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s, &
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size_pl
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integer, dimension(maxval(phase_Nsources)) :: &
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size_so
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real(pReal) :: &
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zeta
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real(pReal), dimension(max(constitutive_plasticity_maxSizeDotState,constitutive_source_maxSizeDotState)) :: &
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real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
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r ! state residuum
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real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: &
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plastic_dotState
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real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
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logical :: &
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broken
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@ -1199,10 +1194,10 @@ end subroutine integrateStateRKCK45
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!> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an
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!! embedded explicit Runge-Kutta method
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!--------------------------------------------------------------------------------------------------
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subroutine integrateStateRK(co,ip,el,A,B,CC,DB)
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subroutine integrateStateRK(co,ip,el,A,B,C,DB)
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real(pReal), dimension(:,:), intent(in) :: A
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real(pReal), dimension(:), intent(in) :: B, CC
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real(pReal), dimension(:), intent(in) :: B, C
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real(pReal), dimension(:), intent(in), optional :: DB
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integer, intent(in) :: &
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el, & !< element index in element loop
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@ -1242,10 +1237,10 @@ subroutine integrateStateRK(co,ip,el,A,B,CC,DB)
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+ plasticState(ph)%dotState (1:sizeDotState,me) &
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* crystallite_subdt(co,ip,el)
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broken = integrateStress(co,ip,el,CC(stage))
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broken = integrateStress(co,ip,el,C(stage))
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if(broken) exit
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broken = mech_collectDotState(crystallite_subdt(co,ip,el)*CC(stage), co,ip,el,ph,me)
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broken = mech_collectDotState(crystallite_subdt(co,ip,el)*C(stage), co,ip,el,ph,me)
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if(broken) exit
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enddo
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@ -1277,7 +1272,6 @@ subroutine integrateStateRK(co,ip,el,A,B,CC,DB)
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end subroutine integrateStateRK
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!--------------------------------------------------------------------------------------------------
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!> @brief writes crystallite results to HDF5 output file
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!--------------------------------------------------------------------------------------------------
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@ -1354,22 +1348,22 @@ subroutine crystallite_results(group,ph)
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!------------------------------------------------------------------------------------------------
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!> @brief select tensors for output
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!------------------------------------------------------------------------------------------------
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function select_tensors(dataset,instance)
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function select_tensors(dataset,ph)
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integer, intent(in) :: instance
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integer, intent(in) :: ph
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real(pReal), dimension(:,:,:,:,:), intent(in) :: dataset
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real(pReal), allocatable, dimension(:,:,:) :: select_tensors
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integer :: e,i,c,j
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integer :: el,ip,co,j
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allocate(select_tensors(3,3,count(material_phaseAt==instance)*discretization_nIPs))
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allocate(select_tensors(3,3,count(material_phaseAt==ph)*discretization_nIPs))
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j=0
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do e = 1, size(material_phaseAt,2)
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do i = 1, discretization_nIPs
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do c = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
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if (material_phaseAt(c,e) == instance) then
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do el = 1, size(material_phaseAt,2)
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do ip = 1, discretization_nIPs
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do co = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
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if (material_phaseAt(co,el) == ph) then
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j = j + 1
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select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
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select_tensors(1:3,1:3,j) = dataset(1:3,1:3,co,ip,el)
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endif
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enddo
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enddo
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@ -1381,22 +1375,22 @@ subroutine crystallite_results(group,ph)
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!--------------------------------------------------------------------------------------------------
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!> @brief select rotations for output
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!--------------------------------------------------------------------------------------------------
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function select_rotations(dataset,instance)
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function select_rotations(dataset,ph)
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integer, intent(in) :: instance
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integer, intent(in) :: ph
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type(rotation), dimension(:,:,:), intent(in) :: dataset
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real(pReal), allocatable, dimension(:,:) :: select_rotations
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integer :: e,i,c,j
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integer :: el,ip,co,j
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allocate(select_rotations(4,count(material_phaseAt==instance)*homogenization_maxNconstituents*discretization_nIPs))
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allocate(select_rotations(4,count(material_phaseAt==ph)*homogenization_maxNconstituents*discretization_nIPs))
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j=0
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do e = 1, size(material_phaseAt,2)
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do i = 1, discretization_nIPs
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do c = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
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if (material_phaseAt(c,e) == instance) then
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do el = 1, size(material_phaseAt,2)
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do ip = 1, discretization_nIPs
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do co = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
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if (material_phaseAt(co,el) == ph) then
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j = j + 1
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select_rotations(1:4,j) = dataset(c,i,e)%asQuaternion()
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select_rotations(1:4,j) = dataset(co,ip,el)%asQuaternion()
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endif
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enddo
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enddo
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