introduced a flexibility in cut-backing scheme in homogenization.f90 and in crystallite.f90:
(1) subStepSizeHomog and subStepSizeCryst := size of substep when cut-back is applied (initially was hard-coded). (2) stepIncreaseHomog and stepIncreaseCryst := step increase when calculation for substep converge (was also hardcoded). introduced a possibility to choose different finite difference scheme, i.e., forward-, backward- and central-difference, for computing grain numerical tangent. note that central-difference scheme will slow down the computation significantly. please use it only if necessary. parameters to set these new features have been included in numerics.f90 and numerics.config, whereas corresponding error messages have been introduced in the IO.f90
This commit is contained in:
Denny Tjahjanto
parent
67f87486b1
commit
cb88019aa6
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@ -1048,6 +1048,10 @@ endfunction
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case (277)
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msg = 'Non-positive relevant mismatch in RGC'
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!* Error message when selected perturbation method is not defined
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case (299)
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msg = 'Chosen prturbation method does not exist'
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case (300)
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msg = 'This material can only be used with elements with three direct stress components'
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case (500)
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@ -227,7 +227,10 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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use prec, only: pInt, &
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pReal
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use numerics, only: subStepMinCryst, &
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subStepSizeCryst, &
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stepIncreaseCryst, &
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pert_Fg, &
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pert_method, &
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nState, &
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nCryst
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use debug, only: debugger, &
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@ -293,10 +296,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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temperatureConverged, & ! flag indicating if temperature converged
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stateConverged, & ! flag indicating if state converged
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converged ! flag indicating if iteration converged
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real(pReal), dimension(9,9) :: dPdF99
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real(pReal), dimension(3,3,3,3) :: dPdF_pos,dPdF_neg
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! ------ initialize to starting condition ------
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centralDifference = .true.
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!$OMP CRITICAL (write2out)
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! write (6,*)
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@ -323,7 +327,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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crystallite_subTstar0_v(:,g,i,e) = crystallite_partionedTstar0_v(:,g,i,e) ! ...2nd PK stress
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crystallite_subFrac(g,i,e) = 0.0_pReal
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crystallite_subStep(g,i,e) = 2.0_pReal
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crystallite_subStep(g,i,e) = 1.0_pReal/subStepSizeCryst ! <<added flexibility in cutback size>>
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crystallite_onTrack(g,i,e) = .true.
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crystallite_converged(g,i,e) = .false. ! pretend failed step of twice the required size
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endif
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@ -361,7 +365,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMPEND CRITICAL (write2out)
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endif
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crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
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crystallite_subStep(g,i,e) = min(1.0_pReal-crystallite_subFrac(g,i,e), 1.0_pReal * crystallite_subStep(g,i,e)) ! keep cut back step size (no acceleration)
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crystallite_subStep(g,i,e) = min(1.0_pReal-crystallite_subFrac(g,i,e), &
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stepIncreaseCryst*crystallite_subStep(g,i,e)) ! <<introduce possibility for acceleration>>
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if (crystallite_subStep(g,i,e) > subStepMinCryst) then
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crystallite_subTemperature0(g,i,e) = crystallite_Temperature(g,i,e) ! wind forward...
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crystallite_subF0(:,:,g,i,e) = crystallite_subF(:,:,g,i,e) ! ...def grad
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@ -376,7 +381,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMPEND CRITICAL (distributionCrystallite)
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endif
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else
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crystallite_subStep(g,i,e) = 0.5_pReal * crystallite_subStep(g,i,e) ! cut step in half and restore...
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crystallite_subStep(g,i,e) = subStepSizeCryst*crystallite_subStep(g,i,e) ! cut step in half and restore...
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crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) ! ...temperature
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crystallite_Fp(:,:,g,i,e) = crystallite_subFp0(:,:,g,i,e) ! ...plastic def grad
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crystallite_invFp(:,:,g,i,e) = math_inv3x3(crystallite_Fp(:,:,g,i,e))
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@ -625,8 +630,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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write (6,'(a,/,16(6(e12.4,x)/),2(f12.4,x))') 'state of 1 1 1',myState/1e6
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!$OMPEND CRITICAL (write2out)
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endif
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! begin perturbation of components of F
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if (pert_method == 1_pInt .or. pert_method == 3_pInt) then ! <<< when forward or central difference is desired >>>
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do k = 1,3 ! perturbation...
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do l = 1,3 ! ...components
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do l = 1,3 ! ...components to the positive direction
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crystallite_subF(:,:,g,i,e) = myF ! initialize perturbed F to match converged
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crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + pert_Fg ! perturb single component
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if (debugger) then
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@ -663,8 +671,10 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMPEND CRITICAL (write2out)
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endif
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enddo
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if (converged) & ! converged state warrants stiffness update
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crystallite_dPdF(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - myP)/pert_Fg ! tangent dP_ij/dFg_kl
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if (converged) then ! converged state warrants stiffness update
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dPdF_pos(:,:,k,l) = (crystallite_P(:,:,g,i,e) - myP)/pert_Fg ! tangent dP_ij/dFg_kl
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if (pert_method == 1_pInt) crystallite_dPdF(:,:,k,l,g,i,e) = dPdF_pos(:,:,k,l)
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endif
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constitutive_state(g,i,e)%p = myState ! restore unperturbed, converged state, ...
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constitutive_dotState(g,i,e)%p = myDotState ! ... dotState, ...
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crystallite_Temperature(g,i,e) = myTemperature ! ... temperature, ...
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@ -680,6 +690,67 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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!$OMPEND CRITICAL (out)
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enddo
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enddo
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endif
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if (pert_method == 2_pInt .or. pert_method == 3_pInt) then ! <<< when backward or central difference is desired >>>
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do k = 1,3 ! perturbation...
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do l = 1,3 ! ...components to the negative direction
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crystallite_subF(:,:,g,i,e) = myF ! initialize perturbed F to match converged
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crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) - pert_Fg ! perturb single component
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) '============='
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write (6,'(i1,x,i1)') k,l
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write (6,*) '============='
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write (6,'(a,/,3(3(f12.6,x)/))') 'pertF of 1 1 1',crystallite_subF(1:3,:,g,i,e)
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!$OMPEND CRITICAL (write2out)
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endif
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onTrack = .true.
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converged = .false.
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NiterationState = 0_pInt
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do while(.not. converged .and. onTrack .and. NiterationState < nState) ! keep cycling until done (potentially non-converged)
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NiterationState = NiterationState + 1_pInt
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onTrack = crystallite_integrateStress(g,i,e) ! stress of perturbed situation (overwrites _P,_Tstar_v,_Fp,_Lp,_Fe)
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if (onTrack) then
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call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
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crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
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crystallite_subdt(g,i,e), g, i, e)
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stateConverged = crystallite_updateState(g,i,e) ! update state
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temperatureConverged = crystallite_updateTemperature(g,i,e) ! update temperature
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converged = stateConverged .and. temperatureConverged
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endif
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if (debugger) then
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!$OMP CRITICAL (write2out)
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write (6,*) '-------------'
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write (6,'(a,x,l,x,l)') 'ontrack + converged:',onTrack,converged
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write (6,'(a,/,3(3(f12.4,x)/))') 'pertP of 1 1 1',crystallite_P(1:3,:,g,i,e)/1e6
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write (6,'(a,/,3(3(f12.4,x)/))') 'DP of 1 1 1',(crystallite_P(1:3,:,g,i,e)-myP(1:3,:))/1e6
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write (6,'(a,/,16(6(e12.4,x)/),/,2(f12.4,x))') 'state of 1 1 1',constitutive_state(g,i,e)%p/1e6
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write (6,'(a,/,16(6(e12.4,x)/),/,2(f12.4,x))') 'Dstate of 1 1 1',(constitutive_state(g,i,e)%p-myState)/1e6
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!$OMPEND CRITICAL (write2out)
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endif
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enddo
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if (converged) then ! converged state warrants stiffness update
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dPdF_neg(:,:,k,l) = (myP - crystallite_P(:,:,g,i,e))/pert_Fg ! tangent dP_ij/dFg_kl
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if (pert_method == 2_pInt) crystallite_dPdF(:,:,k,l,g,i,e) = dPdF_neg(:,:,k,l)
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endif
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constitutive_state(g,i,e)%p = myState ! restore unperturbed, converged state, ...
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constitutive_dotState(g,i,e)%p = myDotState ! ... dotState, ...
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crystallite_Temperature(g,i,e) = myTemperature ! ... temperature, ...
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crystallite_Fp(:,:,g,i,e) = myFp ! ... and kinematics
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crystallite_invFp(:,:,g,i,e) = myInvFp
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crystallite_Fe(:,:,g,i,e) = myFe
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crystallite_Lp(:,:,g,i,e) = myLp
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crystallite_Tstar_v(:,g,i,e) = myTstar_v
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crystallite_P(:,:,g,i,e) = myP
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!$OMP CRITICAL (out)
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debug_StiffnessStateLoopDistribution(NiterationState) = &
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debug_StiffnessstateLoopDistribution(NiterationState) + 1
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!$OMPEND CRITICAL (out)
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enddo
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enddo
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endif
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if (pert_method == 3_pInt) crystallite_dPdF(:,:,:,:,g,i,e) = 0.5_pReal*(dPdF_neg + dPdF_pos)
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else ! grain did not converged
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crystallite_dPdF(:,:,:,:,g,i,e) = crystallite_fallbackdPdF(:,:,:,:,g,i,e) ! use (elastic) fallback
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endif ! grain convergence
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@ -188,6 +188,8 @@ subroutine materialpoint_stressAndItsTangent(&
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use prec, only: pInt, &
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pReal
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use numerics, only: subStepMinHomog, &
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subStepSizeHomog, &
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stepIncreaseHomog, &
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nHomog, &
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nMPstate
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use FEsolving, only: FEsolving_execElem, &
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@ -256,7 +258,7 @@ subroutine materialpoint_stressAndItsTangent(&
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materialpoint_subF0(:,:,i,e) = materialpoint_F0(:,:,i,e) ! ...def grad
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materialpoint_subFrac(i,e) = 0.0_pReal
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materialpoint_subStep(i,e) = 8.0_pReal
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materialpoint_subStep(i,e) = 1.0_pReal/subStepSizeHomog ! <<added to adopt flexibility in cutback size>>
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materialpoint_converged(i,e) = .false. ! pretend failed step of twice the required size
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materialpoint_requested(i,e) = .true. ! everybody requires calculation
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enddo
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@ -289,7 +291,8 @@ subroutine materialpoint_stressAndItsTangent(&
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! calculate new subStep and new subFrac
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materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e)
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materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), 1.0_pReal * materialpoint_subStep(i,e)) ! keep cut back time step (no acceleration)
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materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), &
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stepIncreaseHomog*materialpoint_subStep(i,e)) ! <<introduce flexibility for step increase/acceleration>>
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! still stepping needed
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if (materialpoint_subStep(i,e) > subStepMinHomog) then
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@ -314,7 +317,8 @@ subroutine materialpoint_stressAndItsTangent(&
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! materialpoint didn't converge, so we need a cutback here
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else
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materialpoint_subStep(i,e) = 0.125_pReal * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
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materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
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! <<modified to add more flexibility in cutback>>
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if (debugger) then
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!$OMP CRITICAL (write2out)
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@ -436,6 +440,7 @@ elementLoop: do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate
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call homogenization_averageTemperature(i,e)
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else
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terminallyIll = .true.
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write(6,'(a48,i4,i4,/)') 'homogenization terminally-ill ',i,e
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exit elementLoop
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endif
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enddo
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@ -4,22 +4,33 @@
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relevantStrain 1.0e-9 # strain increment considered significant
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iJacoStiffness 1 # frequency of stiffness update
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iJacoLpresiduum 1 # frequency of Jacobian update of residuum in Lp
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pert_Fg 1.0e-7 # strain perturbation for FEM Jacobi
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nHomog 25 # homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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subStepMinHomog 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
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nMPstate 10 # materialpoint state loop limit
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pert_Fg 1.0e-7 # deformation gradient perturbation for grain tangent
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pert_method 1 # perturbation method (1 = forward, 2 = backward or 3 = central)
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## crystallite numerical parameters ##
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nCryst 20 # crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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subStepMinCryst 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepSizeCryst 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
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stepIncreaseCryst 1.5 # increase of next substep size when previous substep converged in crystallite (value higher than 1)
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nState 50 # state loop limit
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nStress 200 # stress loop limit
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rTol_crystalliteState 1.0e-6 # relative tolerance in crystallite state loop (abs tol provided by constitutive law)
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rTol_crystalliteStress 1.0e-6 # relative tolerance in crystallite stress loop (Lp residuum)
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aTol_crystalliteStress 1.0e-8 # absolute tolerance in crystallite stress loop (Lp residuum!)
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## homogenization numerical parameters ##
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nHomog 25 # homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
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subStepMinHomog 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeHomog 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
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stepIncreaseHomog 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
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nMPstate 10 # materialpoint state loop limit
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## RGC scheme numerical parameters ##
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aTol_RGC 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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rTol_RGC 1.0e-3 # relative ...
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aMax_RGC 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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rMax_RGC 1.0e+2 # relative ...
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rMax_RGC 1.0e+3 # relative ...
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perturbPenalty_RGC 1.0e-7 # perturbation for computing penalty tangent
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relevantMismatch_RGC 1.0e-5 # minimum threshold of mismatch
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fixed_seed 1234 # put any number larger than zero, integer, if you want to have a pseudo random distribution
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@ -13,11 +13,16 @@ integer(pInt) iJacoStiffness, & ! freque
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nMPstate, & ! materialpoint state loop limit
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nCryst, & ! crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
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nState, & ! state loop limit
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nStress ! stress loop limit
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nStress, & ! stress loop limit
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pert_method ! method used in perturbation technique for tangent
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real(pReal) relevantStrain, & ! strain increment considered significant
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pert_Fg, & ! strain perturbation for FEM Jacobi
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subStepMinCryst, & ! minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepMinHomog, & ! minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSizeCryst, & ! size of first substep when cutback in crystallite
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subStepSizeHomog, & ! size of first substep when cutback in homogenization
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stepIncreaseCryst, & ! increase of next substep size when previous substep converged in crystallite
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stepIncreaseHomog, & ! increase of next substep size when previous substep converged in homogenization
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rTol_crystalliteState, & ! relative tolerance in crystallite state loop
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rTol_crystalliteTemperature, & ! relative tolerance in crystallite temperature loop
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rTol_crystalliteStress, & ! relative tolerance in crystallite stress loop
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@ -75,12 +80,17 @@ subroutine numerics_init()
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relevantStrain = 1.0e-7_pReal
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iJacoStiffness = 1_pInt
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iJacoLpresiduum = 1_pInt
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pert_Fg = 1.0e-6_pReal
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pert_Fg = 1.0e-7_pReal
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pert_method = 1
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nHomog = 20_pInt
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subStepMinHomog = 1.0e-3_pReal
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subStepSizeHomog = 0.25
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stepIncreaseHomog = 1.5
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nMPstate = 10_pInt
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nCryst = 20_pInt
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subStepMinCryst = 1.0e-3_pReal
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subStepsizeCryst = 0.25
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stepIncreaseCryst = 1.5
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nState = 10_pInt
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nStress = 40_pInt
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rTol_crystalliteState = 1.0e-6_pReal
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@ -121,6 +131,8 @@ subroutine numerics_init()
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iJacoLpresiduum = IO_intValue(line,positions,2)
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case ('pert_fg')
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pert_Fg = IO_floatValue(line,positions,2)
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case ('pert_method')
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pert_method = IO_intValue(line,positions,2)
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case ('nhomog')
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nHomog = IO_intValue(line,positions,2)
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case ('nmpstate')
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@ -133,8 +145,16 @@ subroutine numerics_init()
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nStress = IO_intValue(line,positions,2)
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case ('substepmincryst')
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subStepMinCryst = IO_floatValue(line,positions,2)
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case ('substepsizecryst')
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subStepSizeCryst = IO_floatValue(line,positions,2)
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case ('stepincreasecryst')
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stepIncreaseCryst = IO_floatValue(line,positions,2)
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case ('substepminhomog')
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subStepMinHomog = IO_floatValue(line,positions,2)
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case ('substepsizehomog')
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subStepSizeHomog = IO_floatValue(line,positions,2)
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case ('stepincreasehomog')
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stepIncreaseHomog = IO_floatValue(line,positions,2)
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case ('rtol_crystallitestate')
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rTol_crystalliteState = IO_floatValue(line,positions,2)
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case ('rtol_crystallitetemperature')
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||||
|
|
@ -178,17 +198,25 @@ subroutine numerics_init()
|
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write(6,'(a24,x,i8)') 'iJacoStiffness: ',iJacoStiffness
|
||||
write(6,'(a24,x,i8)') 'iJacoLpresiduum: ',iJacoLpresiduum
|
||||
write(6,'(a24,x,e8.1)') 'pert_Fg: ',pert_Fg
|
||||
write(6,'(a24,x,i8)') 'nHomog: ',nHomog
|
||||
write(6,'(a24,x,e8.1)') 'subStepMinHomog: ',subStepMinHomog
|
||||
write(6,'(a24,x,i8)') 'nMPstate: ',nMPstate
|
||||
write(6,'(a24,x,i8)') 'pert_method: ',pert_method
|
||||
write(6,'(a24,x,i8)') 'nCryst: ',nCryst
|
||||
write(6,'(a24,x,e8.1)') 'subStepMinCryst: ',subStepMinCryst
|
||||
write(6,'(a24,x,e8.1)') 'subStepSizeCryst: ',subStepSizeCryst
|
||||
write(6,'(a24,x,e8.1)') 'stepIncreaseCryst: ',stepIncreaseCryst
|
||||
write(6,'(a24,x,i8)') 'nState: ',nState
|
||||
write(6,'(a24,x,i8)') 'nStress: ',nStress
|
||||
write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState
|
||||
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature
|
||||
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
|
||||
write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
|
||||
write(6,*)
|
||||
|
||||
write(6,'(a24,x,i8)') 'nHomog: ',nHomog
|
||||
write(6,'(a24,x,e8.1)') 'subStepMinHomog: ',subStepMinHomog
|
||||
write(6,'(a24,x,e8.1)') 'subStepSizeHomog: ',subStepSizeHomog
|
||||
write(6,'(a24,x,e8.1)') 'stepIncreaseHomog: ',stepIncreaseHomog
|
||||
write(6,'(a24,x,i8)') 'nMPstate: ',nMPstate
|
||||
write(6,*)
|
||||
|
||||
!* RGC parameters: added <<<updated 31.07.2009>>>
|
||||
write(6,'(a24,x,e8.1)') 'aTol_RGC: ',absTol_RGC
|
||||
|
|
@ -197,6 +225,7 @@ subroutine numerics_init()
|
|||
write(6,'(a24,x,e8.1)') 'rMax_RGC: ',relMax_RGC
|
||||
write(6,'(a24,x,e8.1)') 'perturbPenalty_RGC: ',pPert_RGC
|
||||
write(6,'(a24,x,e8.1)') 'relevantMismatch_RGC: ',xSmoo_RGC
|
||||
write(6,*)
|
||||
|
||||
!* Random seeding parameters: added <<<updated 27.08.2009>>>
|
||||
write(6,'(a24,x,i8)') 'fixed_seed: ',fixedSeed
|
||||
|
|
@ -207,13 +236,19 @@ subroutine numerics_init()
|
|||
if (iJacoStiffness < 1_pInt) call IO_error(261)
|
||||
if (iJacoLpresiduum < 1_pInt) call IO_error(262)
|
||||
if (pert_Fg <= 0.0_pReal) call IO_error(263)
|
||||
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
|
||||
call IO_error(299)
|
||||
if (nHomog < 1_pInt) call IO_error(264)
|
||||
if (nMPstate < 1_pInt) call IO_error(279) !! missing in IO !!
|
||||
if (nCryst < 1_pInt) call IO_error(265)
|
||||
if (nState < 1_pInt) call IO_error(266)
|
||||
if (nStress < 1_pInt) call IO_error(267)
|
||||
if (subStepMinCryst <= 0.0_pReal) call IO_error(268)
|
||||
if (subStepSizeCryst <= 0.0_pReal) call IO_error(268)
|
||||
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(268)
|
||||
if (subStepMinHomog <= 0.0_pReal) call IO_error(268)
|
||||
if (subStepSizeHomog <= 0.0_pReal) call IO_error(268)
|
||||
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(268)
|
||||
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(269)
|
||||
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(276) !! oops !!
|
||||
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(270)
|
||||
|
|
|
|||
Loading…
Reference in New Issue