* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!)
* somewhat simplified convergence check for adaptive euler and runge-kutta
This commit is contained in:
Christoph Kords
parent
d965f14f90
commit
366d52bd71
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@ -23,7 +23,7 @@ MODULE constitutive
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constitutive_previousDotState2,&! pointer array to 2nd previous evolution of current microstructure
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constitutive_dotState_backup, & ! pointer array to backed up evolution of current microstructure
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constitutive_RK4dotState, & ! pointer array to evolution of microstructure defined by classical Runge-Kutta method
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constitutive_relevantState ! relevant state values
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constitutive_aTolState ! pointer array to absolute state tolerance
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type(p_vec), dimension(:,:,:,:), allocatable :: constitutive_RKCK45dotState ! pointer array to evolution of microstructure used by Cash-Karp Runge-Kutta method
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integer(pInt), dimension(:,:,:), allocatable :: constitutive_sizeDotState, & ! size of dotState array
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constitutive_sizeState, & ! size of state array per grain
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@ -125,7 +125,7 @@ subroutine constitutive_init()
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allocate(constitutive_state_backup(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_dotState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_dotState_backup(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_relevantState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_aTolState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_sizeDotState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_sizeDotState = 0_pInt
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allocate(constitutive_sizeState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_sizeState = 0_pInt
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allocate(constitutive_sizePostResults(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)); constitutive_sizePostResults = 0_pInt
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@ -152,7 +152,7 @@ subroutine constitutive_init()
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allocate(constitutive_subState0(g,i,e)%p(constitutive_j2_sizeState(myInstance)))
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allocate(constitutive_state(g,i,e)%p(constitutive_j2_sizeState(myInstance)))
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allocate(constitutive_state_backup(g,i,e)%p(constitutive_j2_sizeState(myInstance)))
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allocate(constitutive_relevantState(g,i,e)%p(constitutive_j2_sizeState(myInstance)))
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allocate(constitutive_aTolState(g,i,e)%p(constitutive_j2_sizeState(myInstance)))
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allocate(constitutive_dotState(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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allocate(constitutive_dotState_backup(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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if (integrator == 1 .or. integratorStiffness == 1) then
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@ -167,7 +167,7 @@ subroutine constitutive_init()
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enddo
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endif
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constitutive_state0(g,i,e)%p = constitutive_j2_stateInit(myInstance)
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constitutive_relevantState(g,i,e)%p = constitutive_j2_relevantState(myInstance)
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constitutive_aTolState(g,i,e)%p = constitutive_j2_aTolState(myInstance)
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constitutive_sizeState(g,i,e) = constitutive_j2_sizeState(myInstance)
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constitutive_sizeDotState(g,i,e) = constitutive_j2_sizeDotState(myInstance)
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constitutive_sizePostResults(g,i,e) = constitutive_j2_sizePostResults(myInstance)
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@ -178,7 +178,7 @@ subroutine constitutive_init()
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allocate(constitutive_subState0(g,i,e)%p(constitutive_phenopowerlaw_sizeState(myInstance)))
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allocate(constitutive_state(g,i,e)%p(constitutive_phenopowerlaw_sizeState(myInstance)))
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allocate(constitutive_state_backup(g,i,e)%p(constitutive_phenopowerlaw_sizeState(myInstance)))
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allocate(constitutive_relevantState(g,i,e)%p(constitutive_phenopowerlaw_sizeState(myInstance)))
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allocate(constitutive_aTolState(g,i,e)%p(constitutive_phenopowerlaw_sizeState(myInstance)))
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allocate(constitutive_dotState(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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allocate(constitutive_dotState_backup(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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if (integrator == 1 .or. integratorStiffness == 1) then
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@ -193,7 +193,7 @@ subroutine constitutive_init()
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enddo
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endif
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constitutive_state0(g,i,e)%p = constitutive_phenopowerlaw_stateInit(myInstance)
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constitutive_relevantState(g,i,e)%p = constitutive_phenopowerlaw_relevantState(myInstance)
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constitutive_aTolState(g,i,e)%p = constitutive_phenopowerlaw_aTolState(myInstance)
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constitutive_sizeState(g,i,e) = constitutive_phenopowerlaw_sizeState(myInstance)
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constitutive_sizeDotState(g,i,e) = constitutive_phenopowerlaw_sizeDotState(myInstance)
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constitutive_sizePostResults(g,i,e) = constitutive_phenopowerlaw_sizePostResults(myInstance)
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@ -204,7 +204,7 @@ subroutine constitutive_init()
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allocate(constitutive_subState0(g,i,e)%p(constitutive_titanmod_sizeState(myInstance)))
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allocate(constitutive_state(g,i,e)%p(constitutive_titanmod_sizeState(myInstance)))
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allocate(constitutive_state_backup(g,i,e)%p(constitutive_titanmod_sizeState(myInstance)))
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allocate(constitutive_relevantState(g,i,e)%p(constitutive_titanmod_sizeState(myInstance)))
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allocate(constitutive_aTolState(g,i,e)%p(constitutive_titanmod_sizeState(myInstance)))
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allocate(constitutive_dotState(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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allocate(constitutive_dotState_backup(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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if (integrator == 1 .or. integratorStiffness == 1) then
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@ -219,7 +219,7 @@ subroutine constitutive_init()
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enddo
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endif
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constitutive_state0(g,i,e)%p = constitutive_titanmod_stateInit(myInstance)
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constitutive_relevantState(g,i,e)%p = constitutive_titanmod_relevantState(myInstance)
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constitutive_aTolState(g,i,e)%p = constitutive_titanmod_aTolState(myInstance)
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constitutive_sizeState(g,i,e) = constitutive_titanmod_sizeState(myInstance)
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constitutive_sizeDotState(g,i,e) = constitutive_titanmod_sizeDotState(myInstance)
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constitutive_sizePostResults(g,i,e) = constitutive_titanmod_sizePostResults(myInstance)
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@ -230,7 +230,7 @@ subroutine constitutive_init()
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allocate(constitutive_subState0(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance)))
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allocate(constitutive_state(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance)))
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allocate(constitutive_state_backup(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance)))
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allocate(constitutive_relevantState(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance)))
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allocate(constitutive_aTolState(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance)))
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allocate(constitutive_dotState(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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allocate(constitutive_dotState_backup(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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if (integrator == 1 .or. integratorStiffness == 1) then
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@ -245,7 +245,7 @@ subroutine constitutive_init()
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enddo
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endif
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constitutive_state0(g,i,e)%p = constitutive_dislotwin_stateInit(myInstance)
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constitutive_relevantState(g,i,e)%p = constitutive_dislotwin_relevantState(myInstance)
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constitutive_aTolState(g,i,e)%p = constitutive_dislotwin_aTolState(myInstance)
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constitutive_sizeState(g,i,e) = constitutive_dislotwin_sizeState(myInstance)
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constitutive_sizeDotState(g,i,e) = constitutive_dislotwin_sizeDotState(myInstance)
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constitutive_sizePostResults(g,i,e) = constitutive_dislotwin_sizePostResults(myInstance)
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@ -256,7 +256,7 @@ subroutine constitutive_init()
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allocate(constitutive_subState0(g,i,e)%p(constitutive_nonlocal_sizeState(myInstance)))
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allocate(constitutive_state(g,i,e)%p(constitutive_nonlocal_sizeState(myInstance)))
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allocate(constitutive_state_backup(g,i,e)%p(constitutive_nonlocal_sizeState(myInstance)))
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allocate(constitutive_relevantState(g,i,e)%p(constitutive_nonlocal_sizeState(myInstance)))
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allocate(constitutive_aTolState(g,i,e)%p(constitutive_nonlocal_sizeState(myInstance)))
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allocate(constitutive_dotState(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
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allocate(constitutive_dotState_backup(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
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if (integrator == 1 .or. integratorStiffness == 1) then
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@ -271,7 +271,7 @@ subroutine constitutive_init()
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enddo
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endif
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constitutive_state0(g,i,e)%p = constitutive_nonlocal_stateInit(myInstance)
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constitutive_relevantState(g,i,e)%p = constitutive_nonlocal_relevantState(myInstance)
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constitutive_aTolState(g,i,e)%p = constitutive_nonlocal_aTolState(myInstance)
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constitutive_sizeState(g,i,e) = constitutive_nonlocal_sizeState(myInstance)
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constitutive_sizeDotState(g,i,e) = constitutive_nonlocal_sizeDotState(myInstance)
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constitutive_sizePostResults(g,i,e) = constitutive_nonlocal_sizePostResults(myInstance)
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@ -298,7 +298,7 @@ subroutine constitutive_init()
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write(6,'(a32,x,7(i5,x))') 'constitutive_partionedState0: ', shape(constitutive_partionedState0)
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write(6,'(a32,x,7(i5,x))') 'constitutive_subState0: ', shape(constitutive_subState0)
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write(6,'(a32,x,7(i5,x))') 'constitutive_state: ', shape(constitutive_state)
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write(6,'(a32,x,7(i5,x))') 'constitutive_relevantState: ', shape(constitutive_relevantState)
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write(6,'(a32,x,7(i5,x))') 'constitutive_aTolState: ', shape(constitutive_aTolState)
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write(6,'(a32,x,7(i5,x))') 'constitutive_dotState: ', shape(constitutive_dotState)
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write(6,'(a32,x,7(i5,x))') 'constitutive_sizeState: ', shape(constitutive_sizeState)
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write(6,'(a32,x,7(i5,x))') 'constitutive_sizeDotState: ', shape(constitutive_sizeDotState)
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@ -499,8 +499,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip
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call constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el)
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case (constitutive_nonlocal_label)
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call constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, constitutive_state, &
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constitutive_relevantState, ipc, ip, el)
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call constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, constitutive_state, ipc, ip, el)
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end select
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@ -579,7 +578,7 @@ select case (phase_constitution(material_phase(ipc,ip,el)))
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case (constitutive_nonlocal_label)
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call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, subTstar0_v, Fe, Fp, Temperature, subdt, &
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constitutive_state, constitutive_subState0, constitutive_relevantState, subdt, &
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constitutive_state, constitutive_subState0, constitutive_aTolState, subdt, &
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orientation, ipc, ip, el)
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end select
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@ -712,7 +711,7 @@ function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, mis
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case (constitutive_nonlocal_label)
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constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, &
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dt, subdt, constitutive_state, constitutive_subState0, &
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constitutive_relevantState, constitutive_dotstate, ipc, ip, el)
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constitutive_dotstate, ipc, ip, el)
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end select
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return
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@ -60,7 +60,7 @@ real(pReal), dimension(:), allocatable :: constitutive_dislotwin
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constitutive_dislotwin_Cthresholdtwin, & !
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constitutive_dislotwin_SolidSolutionStrength, & ! Strength due to elements in solid solution
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constitutive_dislotwin_L0, & ! Length of twin nuclei in Burgers vectors
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constitutive_dislotwin_relevantRho ! dislocation density considered relevant
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constitutive_dislotwin_aTolRho ! absolute tolerance for integration of dislocation density
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real(pReal), dimension(:,:,:), allocatable :: constitutive_dislotwin_Cslip_66 ! elasticity matrix in Mandel notation for each instance
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real(pReal), dimension(:,:,:,:), allocatable :: constitutive_dislotwin_Ctwin_66 ! twin elasticity matrix in Mandel notation for each instance
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real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_dislotwin_Cslip_3333 ! elasticity matrix for each instance
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@ -182,32 +182,32 @@ allocate(constitutive_dislotwin_Cmfptwin(maxNinstance))
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allocate(constitutive_dislotwin_Cthresholdtwin(maxNinstance))
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allocate(constitutive_dislotwin_SolidSolutionStrength(maxNinstance))
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allocate(constitutive_dislotwin_L0(maxNinstance))
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allocate(constitutive_dislotwin_relevantRho(maxNinstance))
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allocate(constitutive_dislotwin_aTolRho(maxNinstance))
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allocate(constitutive_dislotwin_Cslip_66(6,6,maxNinstance))
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allocate(constitutive_dislotwin_Cslip_3333(3,3,3,3,maxNinstance))
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constitutive_dislotwin_CoverA = 0.0_pReal
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constitutive_dislotwin_C11 = 0.0_pReal
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constitutive_dislotwin_C12 = 0.0_pReal
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constitutive_dislotwin_C13 = 0.0_pReal
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constitutive_dislotwin_C33 = 0.0_pReal
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constitutive_dislotwin_C44 = 0.0_pReal
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constitutive_dislotwin_Gmod = 0.0_pReal
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constitutive_dislotwin_CAtomicVolume = 0.0_pReal
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constitutive_dislotwin_D0 = 0.0_pReal
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constitutive_dislotwin_Qsd = 0.0_pReal
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constitutive_dislotwin_GrainSize = 0.0_pReal
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constitutive_dislotwin_p = 0.0_pReal
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constitutive_dislotwin_q = 0.0_pReal
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constitutive_dislotwin_MaxTwinFraction = 0.0_pReal
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constitutive_dislotwin_r = 0.0_pReal
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constitutive_dislotwin_CEdgeDipMinDistance = 0.0_pReal
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constitutive_dislotwin_Cmfptwin = 0.0_pReal
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constitutive_dislotwin_Cthresholdtwin = 0.0_pReal
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constitutive_dislotwin_SolidSolutionStrength = 0.0_pReal
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constitutive_dislotwin_L0 = 0.0_pReal
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constitutive_dislotwin_relevantRho = 0.0_pReal
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constitutive_dislotwin_Cslip_66 = 0.0_pReal
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constitutive_dislotwin_Cslip_3333 = 0.0_pReal
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constitutive_dislotwin_CoverA = 0.0_pReal
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constitutive_dislotwin_C11 = 0.0_pReal
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constitutive_dislotwin_C12 = 0.0_pReal
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constitutive_dislotwin_C13 = 0.0_pReal
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constitutive_dislotwin_C33 = 0.0_pReal
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constitutive_dislotwin_C44 = 0.0_pReal
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constitutive_dislotwin_Gmod = 0.0_pReal
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constitutive_dislotwin_CAtomicVolume = 0.0_pReal
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constitutive_dislotwin_D0 = 0.0_pReal
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constitutive_dislotwin_Qsd = 0.0_pReal
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constitutive_dislotwin_GrainSize = 0.0_pReal
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constitutive_dislotwin_p = 0.0_pReal
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constitutive_dislotwin_q = 0.0_pReal
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constitutive_dislotwin_MaxTwinFraction = 0.0_pReal
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constitutive_dislotwin_r = 0.0_pReal
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constitutive_dislotwin_CEdgeDipMinDistance = 0.0_pReal
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constitutive_dislotwin_Cmfptwin = 0.0_pReal
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constitutive_dislotwin_Cthresholdtwin = 0.0_pReal
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constitutive_dislotwin_SolidSolutionStrength= 0.0_pReal
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constitutive_dislotwin_L0 = 0.0_pReal
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constitutive_dislotwin_aTolRho = 0.0_pReal
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constitutive_dislotwin_Cslip_66 = 0.0_pReal
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constitutive_dislotwin_Cslip_3333 = 0.0_pReal
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allocate(constitutive_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance))
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allocate(constitutive_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance))
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allocate(constitutive_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance))
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@ -230,10 +230,10 @@ allocate(constitutive_dislotwin_interactionSlipSlip(lattice_maxNinteraction,maxN
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allocate(constitutive_dislotwin_interactionSlipTwin(lattice_maxNinteraction,maxNinstance))
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allocate(constitutive_dislotwin_interactionTwinSlip(lattice_maxNinteraction,maxNinstance))
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allocate(constitutive_dislotwin_interactionTwinTwin(lattice_maxNinteraction,maxNinstance))
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constitutive_dislotwin_interactionSlipSlip = 0.0_pReal
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constitutive_dislotwin_interactionSlipTwin = 0.0_pReal
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constitutive_dislotwin_interactionTwinSlip = 0.0_pReal
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constitutive_dislotwin_interactionTwinTwin = 0.0_pReal
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constitutive_dislotwin_interactionSlipSlip = 0.0_pReal
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constitutive_dislotwin_interactionSlipTwin = 0.0_pReal
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constitutive_dislotwin_interactionTwinSlip = 0.0_pReal
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constitutive_dislotwin_interactionTwinTwin = 0.0_pReal
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!* Readout data from material.config file
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rewind(file)
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@ -321,15 +321,15 @@ do ! read thru sections of
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constitutive_dislotwin_D0(i) = IO_floatValue(line,positions,2)
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case ('qsd')
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constitutive_dislotwin_Qsd(i) = IO_floatValue(line,positions,2)
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case ('relevantrho')
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constitutive_dislotwin_relevantRho(i) = IO_floatValue(line,positions,2)
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case ('atol_rho')
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constitutive_dislotwin_aTolRho(i) = IO_floatValue(line,positions,2)
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case ('cmfptwin')
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constitutive_dislotwin_Cmfptwin(i) = IO_floatValue(line,positions,2)
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case ('cthresholdtwin')
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constitutive_dislotwin_Cthresholdtwin(i) = IO_floatValue(line,positions,2)
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case ('solidsolutionstrength')
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constitutive_dislotwin_SolidSolutionStrength(i) = IO_floatValue(line,positions,2)
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case ('L0')
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case ('l0')
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constitutive_dislotwin_L0(i) = IO_floatValue(line,positions,2)
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case ('cedgedipmindistance')
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constitutive_dislotwin_CEdgeDipMinDistance(i) = IO_floatValue(line,positions,2)
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@ -378,7 +378,7 @@ enddo
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if (constitutive_dislotwin_CAtomicVolume(i) <= 0.0_pReal) call IO_error(230)
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if (constitutive_dislotwin_D0(i) <= 0.0_pReal) call IO_error(231)
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if (constitutive_dislotwin_Qsd(i) <= 0.0_pReal) call IO_error(232)
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if (constitutive_dislotwin_relevantRho(i) <= 0.0_pReal) call IO_error(233)
|
||||
if (constitutive_dislotwin_aTolRho(i) <= 0.0_pReal) call IO_error(233)
|
||||
|
||||
!* Determine total number of active slip or twin systems
|
||||
constitutive_dislotwin_Nslip(:,i) = min(lattice_NslipSystem(:,myStructure),constitutive_dislotwin_Nslip(:,i))
|
||||
|
|
@ -670,18 +670,18 @@ return
|
|||
end function
|
||||
|
||||
|
||||
pure function constitutive_dislotwin_relevantState(myInstance)
|
||||
pure function constitutive_dislotwin_aTolState(myInstance)
|
||||
!*********************************************************************
|
||||
!* relevant microstructural state *
|
||||
!* absolute state tolerance *
|
||||
!*********************************************************************
|
||||
use prec, only: pReal, pInt
|
||||
implicit none
|
||||
|
||||
!* Input-Output variables
|
||||
integer(pInt), intent(in) :: myInstance
|
||||
real(pReal), dimension(constitutive_dislotwin_sizeState(myInstance)) :: constitutive_dislotwin_relevantState
|
||||
real(pReal), dimension(constitutive_dislotwin_sizeState(myInstance)) :: constitutive_dislotwin_aTolState
|
||||
|
||||
constitutive_dislotwin_relevantState = constitutive_dislotwin_relevantRho(myInstance)
|
||||
constitutive_dislotwin_aTolState = constitutive_dislotwin_aTolRho(myInstance)
|
||||
|
||||
return
|
||||
endfunction
|
||||
|
|
|
|||
|
|
@ -1,25 +1,25 @@
|
|||
!* $Id$
|
||||
!*****************************************************
|
||||
!* Module: CONSTITUTIVE_J2 *
|
||||
!* Module: CONSTITUTIVE_J2 *
|
||||
!*****************************************************
|
||||
!* contains: *
|
||||
!* - constitutive equations *
|
||||
!* - parameters definition *
|
||||
!*****************************************************
|
||||
|
||||
! [Alu]
|
||||
! constitution j2
|
||||
! (output) flowstress
|
||||
! (output) strainrate
|
||||
! c11 110.9e9 # (3 C11 + 2 C12 + 2 C44) / 5 ... with C44 = C11-C12 !!
|
||||
! c12 58.34e9 # (1 C11 + 4 C12 - 1 C44) / 5
|
||||
! taylorfactor 3
|
||||
! tau0 31e6
|
||||
! gdot0 0.001
|
||||
! n 20
|
||||
! h0 75e6
|
||||
! tausat 63e6
|
||||
! w0 2.25
|
||||
! [Alu]
|
||||
! constitution j2
|
||||
! (output) flowstress
|
||||
! (output) strainrate
|
||||
! c11 110.9e9 # (3 C11 + 2 C12 + 2 C44) / 5 ... with C44 = C11-C12 !!
|
||||
! c12 58.34e9 # (1 C11 + 4 C12 - 1 C44) / 5
|
||||
! taylorfactor 3
|
||||
! tau0 31e6
|
||||
! gdot0 0.001
|
||||
! n 20
|
||||
! h0 75e6
|
||||
! tausat 63e6
|
||||
! w0 2.25
|
||||
|
||||
MODULE constitutive_j2
|
||||
|
||||
|
|
@ -45,7 +45,7 @@ MODULE constitutive_j2
|
|||
real(pReal), dimension(:), allocatable :: constitutive_j2_h0
|
||||
real(pReal), dimension(:), allocatable :: constitutive_j2_tausat
|
||||
real(pReal), dimension(:), allocatable :: constitutive_j2_w0
|
||||
real(pReal), dimension(:), allocatable :: constitutive_j2_relevantResistance
|
||||
real(pReal), dimension(:), allocatable :: constitutive_j2_aTolResistance
|
||||
|
||||
|
||||
CONTAINS
|
||||
|
|
@ -101,7 +101,7 @@ subroutine constitutive_j2_init(file)
|
|||
allocate(constitutive_j2_h0(maxNinstance)) ; constitutive_j2_h0 = 0.0_pReal
|
||||
allocate(constitutive_j2_tausat(maxNinstance)) ; constitutive_j2_tausat = 0.0_pReal
|
||||
allocate(constitutive_j2_w0(maxNinstance)) ; constitutive_j2_w0 = 0.0_pReal
|
||||
allocate(constitutive_j2_relevantResistance(maxNinstance)) ; constitutive_j2_relevantResistance = 0.0_pReal
|
||||
allocate(constitutive_j2_aTolResistance(maxNinstance)) ; constitutive_j2_aTolResistance = 0.0_pReal
|
||||
|
||||
rewind(file)
|
||||
line = ''
|
||||
|
|
@ -145,8 +145,8 @@ subroutine constitutive_j2_init(file)
|
|||
constitutive_j2_w0(i) = IO_floatValue(line,positions,2)
|
||||
case ('taylorfactor')
|
||||
constitutive_j2_fTaylor(i) = IO_floatValue(line,positions,2)
|
||||
case ('relevantresistance')
|
||||
constitutive_j2_relevantResistance(i) = IO_floatValue(line,positions,2)
|
||||
case ('atol_resistance')
|
||||
constitutive_j2_aTolResistance(i) = IO_floatValue(line,positions,2)
|
||||
end select
|
||||
endif
|
||||
enddo
|
||||
|
|
@ -158,25 +158,25 @@ subroutine constitutive_j2_init(file)
|
|||
if (constitutive_j2_tausat(i) <= 0.0_pReal) call IO_error(213)
|
||||
if (constitutive_j2_w0(i) <= 0.0_pReal) call IO_error(241)
|
||||
if (constitutive_j2_fTaylor(i) <= 0.0_pReal) call IO_error(240)
|
||||
if (constitutive_j2_relevantResistance(i) <= 0.0_pReal) call IO_error(242)
|
||||
if (constitutive_j2_aTolResistance(i) <= 0.0_pReal) call IO_error(242)
|
||||
enddo
|
||||
|
||||
do i = 1,maxNinstance
|
||||
do j = 1,maxval(phase_Noutput)
|
||||
select case(constitutive_j2_output(j,i))
|
||||
case('flowstress')
|
||||
mySize = 1_pInt
|
||||
case('strainrate')
|
||||
mySize = 1_pInt
|
||||
case default
|
||||
mySize = 0_pInt
|
||||
end select
|
||||
|
||||
if (mySize > 0_pInt) then ! any meaningful output found
|
||||
constitutive_j2_sizePostResult(j,i) = mySize
|
||||
constitutive_j2_sizePostResults(i) = &
|
||||
constitutive_j2_sizePostResults(i) + mySize
|
||||
endif
|
||||
select case(constitutive_j2_output(j,i))
|
||||
case('flowstress')
|
||||
mySize = 1_pInt
|
||||
case('strainrate')
|
||||
mySize = 1_pInt
|
||||
case default
|
||||
mySize = 0_pInt
|
||||
end select
|
||||
|
||||
if (mySize > 0_pInt) then ! any meaningful output found
|
||||
constitutive_j2_sizePostResult(j,i) = mySize
|
||||
constitutive_j2_sizePostResults(i) = &
|
||||
constitutive_j2_sizePostResults(i) + mySize
|
||||
endif
|
||||
enddo
|
||||
|
||||
constitutive_j2_sizeDotState(i) = 1
|
||||
|
|
@ -218,7 +218,7 @@ endfunction
|
|||
!*********************************************************************
|
||||
!* relevant microstructural state *
|
||||
!*********************************************************************
|
||||
pure function constitutive_j2_relevantState(myInstance)
|
||||
pure function constitutive_j2_aTolState(myInstance)
|
||||
|
||||
use prec, only: pReal, &
|
||||
pInt
|
||||
|
|
@ -229,11 +229,11 @@ integer(pInt), intent(in) :: myInstance ! number specifyin
|
|||
|
||||
!*** output variables
|
||||
real(pReal), dimension(constitutive_j2_sizeState(myInstance)) :: &
|
||||
constitutive_j2_relevantState ! relevant state values for the current instance of this constitution
|
||||
constitutive_j2_aTolState ! relevant state values for the current instance of this constitution
|
||||
|
||||
!*** local variables
|
||||
|
||||
constitutive_j2_relevantState = constitutive_j2_relevantResistance(myInstance)
|
||||
constitutive_j2_aTolState = constitutive_j2_aTolResistance(myInstance)
|
||||
|
||||
endfunction
|
||||
|
||||
|
|
|
|||
|
|
@ -58,7 +58,7 @@ real(pReal), dimension(:), allocatable :: constitutive_nonlocal_
|
|||
constitutive_nonlocal_atomicVolume, & ! atomic volume
|
||||
constitutive_nonlocal_D0, & ! prefactor for self-diffusion coefficient
|
||||
constitutive_nonlocal_Qsd, & ! activation enthalpy for diffusion
|
||||
constitutive_nonlocal_relevantRho, & ! dislocation density considered relevant
|
||||
constitutive_nonlocal_aTolRho, & ! absolute tolerance for dislocation density in state integration
|
||||
constitutive_nonlocal_R ! cutoff radius for dislocation stress
|
||||
real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_Cslip_66 ! elasticity matrix in Mandel notation for each instance
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_nonlocal_Cslip_3333 ! elasticity matrix for each instance
|
||||
|
|
@ -213,7 +213,7 @@ allocate(constitutive_nonlocal_Q0(maxNinstance))
|
|||
allocate(constitutive_nonlocal_atomicVolume(maxNinstance))
|
||||
allocate(constitutive_nonlocal_D0(maxNinstance))
|
||||
allocate(constitutive_nonlocal_Qsd(maxNinstance))
|
||||
allocate(constitutive_nonlocal_relevantRho(maxNinstance))
|
||||
allocate(constitutive_nonlocal_aTolRho(maxNinstance))
|
||||
allocate(constitutive_nonlocal_Cslip_66(6,6,maxNinstance))
|
||||
allocate(constitutive_nonlocal_Cslip_3333(3,3,3,3,maxNinstance))
|
||||
allocate(constitutive_nonlocal_R(maxNinstance))
|
||||
|
|
@ -228,7 +228,7 @@ constitutive_nonlocal_Q0 = 0.0_pReal
|
|||
constitutive_nonlocal_atomicVolume = 0.0_pReal
|
||||
constitutive_nonlocal_D0 = 0.0_pReal
|
||||
constitutive_nonlocal_Qsd = 0.0_pReal
|
||||
constitutive_nonlocal_relevantRho = 0.0_pReal
|
||||
constitutive_nonlocal_aTolRho = 0.0_pReal
|
||||
constitutive_nonlocal_nu = 0.0_pReal
|
||||
constitutive_nonlocal_Cslip_66 = 0.0_pReal
|
||||
constitutive_nonlocal_Cslip_3333 = 0.0_pReal
|
||||
|
|
@ -335,8 +335,8 @@ do
|
|||
constitutive_nonlocal_D0(i) = IO_floatValue(line,positions,2)
|
||||
case('qsd')
|
||||
constitutive_nonlocal_Qsd(i) = IO_floatValue(line,positions,2)
|
||||
case('relevantrho')
|
||||
constitutive_nonlocal_relevantRho(i) = IO_floatValue(line,positions,2)
|
||||
case('atol_rho')
|
||||
constitutive_nonlocal_aTolRho(i) = IO_floatValue(line,positions,2)
|
||||
case ('interaction_slipslip')
|
||||
forall (it = 1:lattice_maxNinteraction) constitutive_nonlocal_interactionSlipSlip(it,i) = IO_floatValue(line,positions,1+it)
|
||||
end select
|
||||
|
|
@ -379,7 +379,7 @@ enddo
|
|||
if (constitutive_nonlocal_atomicVolume(i) <= 0.0_pReal) call IO_error(230)
|
||||
if (constitutive_nonlocal_D0(i) <= 0.0_pReal) call IO_error(231)
|
||||
if (constitutive_nonlocal_Qsd(i) <= 0.0_pReal) call IO_error(232)
|
||||
if (constitutive_nonlocal_relevantRho(i) <= 0.0_pReal) call IO_error(233)
|
||||
if (constitutive_nonlocal_aTolRho(i) <= 0.0_pReal) call IO_error(233)
|
||||
|
||||
|
||||
!*** determine total number of active slip systems
|
||||
|
|
@ -686,9 +686,9 @@ endfunction
|
|||
|
||||
|
||||
!*********************************************************************
|
||||
!* relevant microstructural state *
|
||||
!* absolute state tolerance *
|
||||
!*********************************************************************
|
||||
pure function constitutive_nonlocal_relevantState(myInstance)
|
||||
pure function constitutive_nonlocal_aTolState(myInstance)
|
||||
|
||||
use prec, only: pReal, &
|
||||
pInt
|
||||
|
|
@ -699,11 +699,11 @@ integer(pInt), intent(in) :: myInstance ! number specifyin
|
|||
|
||||
!*** output variables
|
||||
real(pReal), dimension(constitutive_nonlocal_sizeState(myInstance)) :: &
|
||||
constitutive_nonlocal_relevantState ! relevant state values for the current instance of this constitution
|
||||
constitutive_nonlocal_aTolState ! absolute state tolerance for the current instance of this constitution
|
||||
|
||||
!*** local variables
|
||||
|
||||
constitutive_nonlocal_relevantState = constitutive_nonlocal_relevantRho(myInstance)
|
||||
constitutive_nonlocal_aTolState = constitutive_nonlocal_aTolRho(myInstance)
|
||||
|
||||
endfunction
|
||||
|
||||
|
|
@ -1097,7 +1097,7 @@ endsubroutine
|
|||
!*********************************************************************
|
||||
!* calculates plastic velocity gradient and its tangent *
|
||||
!*********************************************************************
|
||||
subroutine constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar99, Tstar_v, Temperature, state, relevantState, g, ip, el)
|
||||
subroutine constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar99, Tstar_v, Temperature, state, g, ip, el)
|
||||
|
||||
use prec, only: pReal, &
|
||||
pInt, &
|
||||
|
|
@ -1124,8 +1124,7 @@ integer(pInt), intent(in) :: g, & ! curren
|
|||
el ! current element number
|
||||
real(pReal), intent(in) :: Temperature ! temperature
|
||||
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
||||
state, & ! microstructural state
|
||||
relevantState ! relevant microstructural state
|
||||
state ! microstructural state
|
||||
real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
|
||||
|
||||
!*** output variables
|
||||
|
|
@ -1180,8 +1179,8 @@ call constitutive_nonlocal_kinetics(Tstar_v, Temperature, state, g, ip, el, dv_d
|
|||
|
||||
!*** Calculation of gdot and its tangent
|
||||
|
||||
forall (s = 1:ns, t = 1:4, rhoSgl(s,t) > relevantState(g,ip,el)%p((t-1)*ns+s)) & ! no shear rate contribution for densities below relevant state
|
||||
gdot(s,t) = rhoSgl(s,t) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) * constitutive_nonlocal_v(s,t,g,ip,el)
|
||||
forall (t = 1:4) &
|
||||
gdot(:,t) = rhoSgl(:,t) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * constitutive_nonlocal_v(:,t,g,ip,el)
|
||||
gdotTotal = sum(gdot,2)
|
||||
|
||||
dgdotTotal_dtau = sum(rhoSgl,2) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * dv_dtau
|
||||
|
|
@ -1220,7 +1219,7 @@ endsubroutine
|
|||
!* rate of change of microstructure *
|
||||
!*********************************************************************
|
||||
subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, previousTstar_v, Fe, Fp, Temperature, dt_previous, &
|
||||
state, previousState, relevantState, timestep, orientation, g,ip,el)
|
||||
state, previousState, aTolState, timestep, orientation, g,ip,el)
|
||||
|
||||
use prec, only: pReal, &
|
||||
pInt, &
|
||||
|
|
@ -1282,7 +1281,7 @@ real(pReal), dimension(4,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),
|
|||
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
||||
state, & ! current microstructural state
|
||||
previousState, & ! previous microstructural state
|
||||
relevantState ! relevant microstructural state
|
||||
aTolState ! absolute state tolerance
|
||||
|
||||
!*** input/output variables
|
||||
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(inout) :: &
|
||||
|
|
@ -1708,7 +1707,7 @@ do i = 1,10*ns
|
|||
if (i > 4*ns .and. i <= 8*ns) & ! skip immobile densities
|
||||
continue
|
||||
if (previousState(g,ip,el)%p(i) + dotState(g,ip,el)%p(i)*timestep < 0.0_pReal) then ! if single mobile densities become negative...
|
||||
if (previousState(g,ip,el)%p(i) < relevantState(g,ip,el)%p(i)) then ! ... and density is already below relevance...
|
||||
if (previousState(g,ip,el)%p(i) < aTolState(g,ip,el)%p(i)) then ! ... and density is already below absolute tolerance...
|
||||
dotState(g,ip,el)%p(i) = - previousState(g,ip,el)%p(i) / timestep ! ... set dotState to zero
|
||||
else ! ... otherwise...
|
||||
if (verboseDebugger) then
|
||||
|
|
@ -1869,8 +1868,8 @@ do n = 1,FE_NipNeighbors(mesh_element(2,e))
|
|||
compatibilityMax = maxval(abs(constitutive_nonlocal_compatibility(1,:,s1,n,i,e)), compatibilityMask)
|
||||
compatibilityMaxCount = dble(count(abs(constitutive_nonlocal_compatibility(1,:,s1,n,i,e)) == compatibilityMax))
|
||||
where (abs(constitutive_nonlocal_compatibility(1,:,s1,n,i,e)) >= compatibilityMax) compatibilityMask = .false.
|
||||
if (compatibilitySum + compatibilityMax * compatibilityMaxCount > 1.0_pReal) &
|
||||
where (abs(constitutive_nonlocal_compatibility(:,:,s1,n,i,e)) == compatibilityMax) &
|
||||
if (compatibilitySum + compatibilityMax * compatibilityMaxCount > 1.0_pReal) & ! if compatibility sum exceeds 1...
|
||||
where (abs(constitutive_nonlocal_compatibility(:,:,s1,n,i,e)) == compatibilityMax) & ! ... equally distribute what is left
|
||||
constitutive_nonlocal_compatibility(:,:,s1,n,i,e) = sign((1.0_pReal - compatibilitySum) / compatibilityMaxCount, &
|
||||
constitutive_nonlocal_compatibility(:,:,s1,n,i,e))
|
||||
compatibilitySum = compatibilitySum + compatibilityMaxCount * compatibilityMax
|
||||
|
|
@ -1935,7 +1934,7 @@ endfunction
|
|||
!* return array of constitutive results *
|
||||
!*********************************************************************
|
||||
function constitutive_nonlocal_postResults(Tstar_v, previousTstar_v, Fe, Fp, Temperature, disorientation, dt, dt_previous, &
|
||||
state, previousState, relevantState, dotState, g,ip,el)
|
||||
state, previousState, dotState, g,ip,el)
|
||||
|
||||
use prec, only: pReal, &
|
||||
pInt, &
|
||||
|
|
@ -1988,7 +1987,6 @@ real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)
|
|||
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
|
||||
state, & ! current microstructural state
|
||||
previousState, & ! previous microstructural state
|
||||
relevantState, &
|
||||
dotState ! evolution rate of microstructural state
|
||||
|
||||
!*** output variables
|
||||
|
|
@ -2080,8 +2078,8 @@ do t = 1,4
|
|||
enddo
|
||||
enddo
|
||||
|
||||
forall (s = 1:ns, t = 1:4, rhoSgl(s,t) > relevantState(g,ip,el)%p((t-1)*ns+s)) & ! no shear rate contribution for densities below relevant state
|
||||
gdot(s,t) = rhoSgl(s,t) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) * constitutive_nonlocal_v(s,t,g,ip,el)
|
||||
forall (t = 1:4) &
|
||||
gdot(:,t) = rhoSgl(:,t) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * constitutive_nonlocal_v(:,t,g,ip,el)
|
||||
|
||||
!* calculate limits for stable dipole height and its rate of change
|
||||
|
||||
|
|
|
|||
|
|
@ -111,7 +111,7 @@ MODULE constitutive_phenopowerlaw
|
|||
|
||||
real(pReal), dimension(:), allocatable :: constitutive_phenopowerlaw_w0_slip
|
||||
|
||||
real(pReal), dimension(:), allocatable :: constitutive_phenopowerlaw_relevantResistance
|
||||
real(pReal), dimension(:), allocatable :: constitutive_phenopowerlaw_aTolResistance
|
||||
|
||||
CONTAINS
|
||||
!****************************************
|
||||
|
|
@ -221,8 +221,8 @@ subroutine constitutive_phenopowerlaw_init(file)
|
|||
allocate(constitutive_phenopowerlaw_w0_slip(maxNinstance))
|
||||
constitutive_phenopowerlaw_w0_slip = 0.0_pReal
|
||||
|
||||
allocate(constitutive_phenopowerlaw_relevantResistance(maxNinstance))
|
||||
constitutive_phenopowerlaw_relevantResistance = 0.0_pReal
|
||||
allocate(constitutive_phenopowerlaw_aTolResistance(maxNinstance))
|
||||
constitutive_phenopowerlaw_aTolResistance = 0.0_pReal
|
||||
|
||||
rewind(file)
|
||||
line = ''
|
||||
|
|
@ -300,8 +300,8 @@ subroutine constitutive_phenopowerlaw_init(file)
|
|||
constitutive_phenopowerlaw_h0_twinslip(i) = IO_floatValue(line,positions,2)
|
||||
case ('h0_twintwin')
|
||||
constitutive_phenopowerlaw_h0_twintwin(i) = IO_floatValue(line,positions,2)
|
||||
case ('relevantresistance')
|
||||
constitutive_phenopowerlaw_relevantResistance(i) = IO_floatValue(line,positions,2)
|
||||
case ('atol_resistance')
|
||||
constitutive_phenopowerlaw_aTolResistance(i) = IO_floatValue(line,positions,2)
|
||||
case ('interaction_slipslip')
|
||||
forall (j = 1:lattice_maxNinteraction) &
|
||||
constitutive_phenopowerlaw_interaction_slipslip(j,i) = IO_floatValue(line,positions,1+j)
|
||||
|
|
@ -344,8 +344,8 @@ subroutine constitutive_phenopowerlaw_init(file)
|
|||
any(constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211,i)
|
||||
if ( constitutive_phenopowerlaw_n_twin(i) <= 0.0_pReal .and. &
|
||||
any(constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(212,i)
|
||||
if (constitutive_phenopowerlaw_relevantResistance(i) <= 0.0_pReal) &
|
||||
constitutive_phenopowerlaw_relevantResistance(i) = 1.0_pReal ! default absolute tolerance 1 Pa
|
||||
if (constitutive_phenopowerlaw_aTolResistance(i) <= 0.0_pReal) &
|
||||
constitutive_phenopowerlaw_aTolResistance(i) = 1.0_pReal ! default absolute tolerance 1 Pa
|
||||
|
||||
enddo
|
||||
|
||||
|
|
@ -522,9 +522,9 @@ endfunction
|
|||
|
||||
|
||||
!*********************************************************************
|
||||
!* relevant microstructural state *
|
||||
!* absolute state tolerance *
|
||||
!*********************************************************************
|
||||
pure function constitutive_phenopowerlaw_relevantState(myInstance)
|
||||
pure function constitutive_phenopowerlaw_aTolState(myInstance)
|
||||
|
||||
use prec, only: pReal, &
|
||||
pInt
|
||||
|
|
@ -535,11 +535,11 @@ integer(pInt), intent(in) :: myInstance ! number specifyin
|
|||
|
||||
!*** output variables
|
||||
real(pReal), dimension(constitutive_phenopowerlaw_sizeState(myInstance)) :: &
|
||||
constitutive_phenopowerlaw_relevantState ! relevant state values for the current instance of this constitution
|
||||
constitutive_phenopowerlaw_aTolState ! relevant state values for the current instance of this constitution
|
||||
|
||||
!*** local variables
|
||||
|
||||
constitutive_phenopowerlaw_relevantState = constitutive_phenopowerlaw_relevantResistance(myInstance)
|
||||
constitutive_phenopowerlaw_aTolState = constitutive_phenopowerlaw_aTolResistance(myInstance)
|
||||
|
||||
endfunction
|
||||
|
||||
|
|
@ -612,7 +612,7 @@ subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temp
|
|||
use debug, only: debugger
|
||||
use math, only: math_Plain3333to99
|
||||
use lattice, only: lattice_Sslip,lattice_Sslip_v,lattice_Stwin,lattice_Stwin_v, lattice_maxNslipFamily, lattice_maxNtwinFamily, &
|
||||
lattice_NslipSystem,lattice_NtwinSystem
|
||||
lattice_NslipSystem,lattice_NtwinSystem
|
||||
use mesh, only: mesh_NcpElems,mesh_maxNips
|
||||
use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance
|
||||
|
||||
|
|
|
|||
|
|
@ -65,7 +65,7 @@ real(pReal), dimension(:), allocatable :: constitutive_titanmod_
|
|||
constitutive_titanmod_CEdgeDipMinDistance, & ! Not being used
|
||||
constitutive_titanmod_Cmfptwin, & ! Not being used
|
||||
constitutive_titanmod_Cthresholdtwin, & ! Not being used
|
||||
constitutive_titanmod_relevantRho ! dislocation density considered relevant
|
||||
constitutive_titanmod_aTolRho ! absolute tolerance for integration of dislocation density
|
||||
real(pReal), dimension(:,:,:), allocatable :: constitutive_titanmod_Cslip_66 ! elasticity matrix in Mandel notation for each instance
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: constitutive_titanmod_Ctwin_66 ! twin elasticity matrix in Mandel notation for each instance
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_titanmod_Cslip_3333 ! elasticity matrix for each instance
|
||||
|
|
@ -230,7 +230,7 @@ allocate(constitutive_titanmod_r(maxNinstance))
|
|||
allocate(constitutive_titanmod_CEdgeDipMinDistance(maxNinstance))
|
||||
allocate(constitutive_titanmod_Cmfptwin(maxNinstance))
|
||||
allocate(constitutive_titanmod_Cthresholdtwin(maxNinstance))
|
||||
allocate(constitutive_titanmod_relevantRho(maxNinstance))
|
||||
allocate(constitutive_titanmod_aTolRho(maxNinstance))
|
||||
allocate(constitutive_titanmod_Cslip_66(6,6,maxNinstance))
|
||||
allocate(constitutive_titanmod_Cslip_3333(3,3,3,3,maxNinstance))
|
||||
constitutive_titanmod_CoverA = 0.0_pReal
|
||||
|
|
@ -251,7 +251,7 @@ constitutive_titanmod_r = 0.0_pReal
|
|||
constitutive_titanmod_CEdgeDipMinDistance = 0.0_pReal
|
||||
constitutive_titanmod_Cmfptwin = 0.0_pReal
|
||||
constitutive_titanmod_Cthresholdtwin = 0.0_pReal
|
||||
constitutive_titanmod_relevantRho = 0.0_pReal
|
||||
constitutive_titanmod_aTolRho = 0.0_pReal
|
||||
constitutive_titanmod_Cslip_66 = 0.0_pReal
|
||||
constitutive_titanmod_Cslip_3333 = 0.0_pReal
|
||||
allocate(constitutive_titanmod_rho_edge0(lattice_maxNslipFamily,maxNinstance))
|
||||
|
|
@ -504,8 +504,8 @@ do ! read thru sections of
|
|||
case ('twinhpconstant')
|
||||
constitutive_titanmod_twinhpconstant(i) = IO_floatValue(line,positions,2)
|
||||
write(6,*) tag
|
||||
case ('relevantrho')
|
||||
constitutive_titanmod_relevantRho(i) = IO_floatValue(line,positions,2)
|
||||
case ('atol_rho')
|
||||
constitutive_titanmod_aTolRho(i) = IO_floatValue(line,positions,2)
|
||||
write(6,*) tag
|
||||
case ('interactionslipslip')
|
||||
forall (j = 1:lattice_maxNinteraction) &
|
||||
|
|
@ -577,7 +577,7 @@ write(6,*) 'Material Property reading done'
|
|||
! if (any(constitutive_titanmod_interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,myStructure)),i) < 1.0_pReal)) call IO_error(229)
|
||||
if (constitutive_titanmod_dc(i) <= 0.0_pReal) call IO_error(231)
|
||||
if (constitutive_titanmod_twinhpconstant(i) <= 0.0_pReal) call IO_error(232)
|
||||
if (constitutive_titanmod_relevantRho(i) <= 0.0_pReal) call IO_error(233)
|
||||
if (constitutive_titanmod_aTolRho(i) <= 0.0_pReal) call IO_error(233)
|
||||
|
||||
!* Determine total number of active slip or twin systems
|
||||
constitutive_titanmod_Nslip(:,i) = min(lattice_NslipSystem(:,myStructure),constitutive_titanmod_Nslip(:,i))
|
||||
|
|
@ -1023,18 +1023,18 @@ constitutive_titanmod_stateInit(6*ns+nt+1:6*ns+2*nt)=resistance_twin0
|
|||
return
|
||||
end function
|
||||
|
||||
pure function constitutive_titanmod_relevantState(myInstance)
|
||||
pure function constitutive_titanmod_aTolState(myInstance)
|
||||
!*********************************************************************
|
||||
!* relevant microstructural state *
|
||||
!* absolute state tolerance *
|
||||
!*********************************************************************
|
||||
use prec, only: pReal, pInt
|
||||
implicit none
|
||||
|
||||
!* Input-Output variables
|
||||
integer(pInt), intent(in) :: myInstance
|
||||
real(pReal), dimension(constitutive_titanmod_sizeState(myInstance)) :: constitutive_titanmod_relevantState
|
||||
real(pReal), dimension(constitutive_titanmod_sizeState(myInstance)) :: constitutive_titanmod_aTolState
|
||||
|
||||
constitutive_titanmod_relevantState = constitutive_titanmod_relevantRho(myInstance)
|
||||
constitutive_titanmod_aTolState = constitutive_titanmod_aTolRho(myInstance)
|
||||
|
||||
return
|
||||
endfunction
|
||||
|
|
|
|||
|
|
@ -1036,7 +1036,7 @@ use material, only: homogenization_Ngrains, &
|
|||
use constitutive, only: constitutive_sizeDotState, &
|
||||
constitutive_maxSizeDotState, &
|
||||
constitutive_state, &
|
||||
constitutive_relevantState, &
|
||||
constitutive_aTolState, &
|
||||
constitutive_subState0, &
|
||||
constitutive_dotState, &
|
||||
constitutive_RKCK45dotState, &
|
||||
|
|
@ -1078,8 +1078,6 @@ real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) ::
|
|||
temperatureResiduum, & ! residuum from evolution in temperature
|
||||
relTemperatureResiduum ! relative residuum from evolution in temperature
|
||||
logical singleRun ! flag indicating computation for single (g,i,e) triple
|
||||
logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
stateConverged ! flag indicating state convergence
|
||||
|
||||
|
||||
! --- FILL BUTCHER TABLEAU ---
|
||||
|
|
@ -1157,7 +1155,7 @@ endif
|
|||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode==1)
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
|
||||
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), &
|
||||
crystallite_orientation, g,i,e)
|
||||
|
|
@ -1223,7 +1221,7 @@ do n = 1,5
|
|||
|
||||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode == 1)
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if (.not. crystallite_integrateStress(mode,g,i,e,c(n))) then ! fraction of original time step
|
||||
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
|
||||
|
|
@ -1243,7 +1241,7 @@ do n = 1,5
|
|||
|
||||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode==1)
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), &
|
||||
|
|
@ -1280,7 +1278,7 @@ relTemperatureResiduum = 0.0_pReal
|
|||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode==1)
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
|
||||
sizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
|
||||
|
||||
|
|
@ -1309,15 +1307,17 @@ relTemperatureResiduum = 0.0_pReal
|
|||
+ constitutive_dotState(g,i,e)%p(1:sizeDotState) * crystallite_subdt(g,i,e)
|
||||
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
|
||||
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
forall (s = 1:sizeDotState, constitutive_state(g,i,e)%p(s) > constitutive_relevantState(g,i,e)%p(s)) &
|
||||
relStateResiduum(s,g,i,e) = abs(stateResiduum(s,g,i,e)) / constitutive_state(g,i,e)%p(s) / rTol_crystalliteState
|
||||
forall (s = 1:sizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
|
||||
relStateResiduum(s,g,i,e) = abs(stateResiduum(s,g,i,e)) / constitutive_state(g,i,e)%p(s)
|
||||
if (crystallite_Temperature(g,i,e) > 0) &
|
||||
relTemperatureResiduum(g,i,e) = abs(temperatureResiduum(g,i,e)) / crystallite_Temperature(g,i,e) &
|
||||
/ rTol_crystalliteTemperature
|
||||
relTemperatureResiduum(g,i,e) = abs(temperatureResiduum(g,i,e)) / crystallite_Temperature(g,i,e)
|
||||
|
||||
|
||||
! --- state convergence ---
|
||||
! stateConverged(g,i,e) =
|
||||
crystallite_todo(g,i,e) = (all( relStateResiduum(:,g,i,e) < rTol_crystalliteState &
|
||||
.or. abs(stateResiduum(1:sizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:sizeDotState))&
|
||||
.and. relTemperatureResiduum(g,i,e) < rTol_crystalliteTemperature )
|
||||
|
||||
|
||||
if (verboseDebugger .and. selectiveDebugger) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
|
|
@ -1325,7 +1325,7 @@ relTemperatureResiduum = 0.0_pReal
|
|||
write(6,*)
|
||||
write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum', stateResiduum(1:sizeDotState,g,i,e)
|
||||
write(6,*)
|
||||
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance', relStateResiduum(1:sizeDotState,g,i,e)
|
||||
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance',relStateResiduum(1:sizeDotState,g,i,e) / rTol_crystalliteState
|
||||
write(6,*)
|
||||
! write(6,'(a)') 'updateState: RKCK45dotState'
|
||||
! do j = 1,6
|
||||
|
|
@ -1349,11 +1349,8 @@ relTemperatureResiduum = 0.0_pReal
|
|||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
sizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
if ( all(relStateResiduum(1:sizeDotState,g,i,e) < 1.0_pReal) .and. relTemperatureResiduum(g,i,e) < 1.0_pReal ) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Tstar_v(:,g,i,e), &
|
||||
crystallite_Fe, crystallite_Fp, g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMPEND PARALLEL DO
|
||||
|
|
@ -1364,24 +1361,19 @@ relTemperatureResiduum = 0.0_pReal
|
|||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode==1)
|
||||
sizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
if ( all(relStateResiduum(1:sizeDotState,g,i,e) < 1.0_pReal) .and. relTemperatureResiduum(g,i,e) < 1.0_pReal ) then
|
||||
|
||||
if (crystallite_integrateStress(mode,g,i,e)) then
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(6,mode) = debug_StateLoopDistribution(6,mode) + 1
|
||||
!$OMPEND CRITICAL (distributionState)
|
||||
else
|
||||
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
|
||||
!$OMPEND CRITICAL
|
||||
endif
|
||||
endif
|
||||
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g)
|
||||
if (crystallite_integrateStress(mode,g,i,e)) then
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(6,mode) = debug_StateLoopDistribution(6,mode) + 1
|
||||
!$OMPEND CRITICAL (distributionState)
|
||||
else
|
||||
if (.not. crystallite_localConstitution(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
|
||||
!$OMPEND CRITICAL
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -1432,7 +1424,7 @@ use material, only: homogenization_Ngrains, &
|
|||
use constitutive, only: constitutive_sizeDotState, &
|
||||
constitutive_maxSizeDotState, &
|
||||
constitutive_state, &
|
||||
constitutive_relevantState, &
|
||||
constitutive_aTolState, &
|
||||
constitutive_subState0, &
|
||||
constitutive_dotState, &
|
||||
constitutive_collectDotState, &
|
||||
|
|
@ -1501,9 +1493,11 @@ endif
|
|||
|
||||
! --- DOT STATE AND TEMPERATURE (EULER INTEGRATION) ---
|
||||
|
||||
stateResiduum = 0.0_pReal
|
||||
!$OMP PARALLEL DO
|
||||
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
sizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
selectiveDebugger = (e == debug_e .and. i == debug_i .and. g == debug_g .and. mode==1)
|
||||
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, &
|
||||
|
|
@ -1522,7 +1516,7 @@ endif
|
|||
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
|
||||
endif
|
||||
else
|
||||
stateResiduum(:,g,i,e) = - 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
|
||||
stateResiduum(1:sizeDotState,g,i,e) = - 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
|
||||
temperatureResiduum(g,i,e) = - 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
endif
|
||||
endif
|
||||
|
|
@ -1616,19 +1610,18 @@ relTemperatureResiduum = 0.0_pReal
|
|||
|
||||
! --- contribution of heun step to absolute residui ---
|
||||
|
||||
stateResiduum(:,g,i,e) = stateResiduum(:,g,i,e) &
|
||||
+ 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
|
||||
stateResiduum(1:sizeDotState,g,i,e) = stateResiduum(1:sizeDotState,g,i,e) &
|
||||
+ 0.5_pReal * constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e) ! contribution to absolute residuum in state and temperature
|
||||
temperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) &
|
||||
+ 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
+ 0.5_pReal * crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
|
||||
|
||||
! --- relative residui ---
|
||||
|
||||
forall (s = 1:sizeDotState, constitutive_state(g,i,e)%p(s) > constitutive_relevantState(g,i,e)%p(s)) &
|
||||
relStateResiduum(s,g,i,e) = abs(stateResiduum(s,g,i,e)) / constitutive_state(g,i,e)%p(s) / rTol_crystalliteState
|
||||
forall (s = 1:sizeDotState, abs(constitutive_state(g,i,e)%p(s)) > 0.0_pReal) &
|
||||
relStateResiduum(s,g,i,e) = abs(stateResiduum(s,g,i,e)) / constitutive_state(g,i,e)%p(s)
|
||||
if (crystallite_Temperature(g,i,e) > 0) &
|
||||
relTemperatureResiduum(g,i,e) = abs(temperatureResiduum(g,i,e)) / crystallite_Temperature(g,i,e) &
|
||||
/ rTol_crystalliteTemperature
|
||||
relTemperatureResiduum(g,i,e) = abs(temperatureResiduum(g,i,e)) / crystallite_Temperature(g,i,e)
|
||||
|
||||
if (verboseDebugger .and. selectiveDebugger) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
|
|
@ -1636,7 +1629,7 @@ relTemperatureResiduum = 0.0_pReal
|
|||
write(6,*)
|
||||
write(6,'(a,/,12(f12.1,x))') 'updateState: absolute residuum', stateResiduum(1:sizeDotState,g,i,e)
|
||||
write(6,*)
|
||||
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance', relStateResiduum(1:sizeDotState,g,i,e)
|
||||
write(6,'(a,/,12(f12.1,x))') 'updateState: resid tolerance',relStateResiduum(1:sizeDotState,g,i,e) / rTol_crystalliteState
|
||||
write(6,*)
|
||||
write(6,'(a,/,12(e12.5,x))') 'updateState: dotState', constitutive_dotState(g,i,e)%p(1:sizeDotState) &
|
||||
- 2.0_pReal * stateResiduum(1:sizeDotState,g,i,e) / crystallite_subdt(g,i,e) ! calculate former dotstate from higher order solution and state residuum
|
||||
|
|
@ -1649,14 +1642,16 @@ relTemperatureResiduum = 0.0_pReal
|
|||
|
||||
! --- converged ? ---
|
||||
|
||||
if ( all(relStateResiduum(1:sizeDotState,g,i,e) < 1.0_pReal) .and. relTemperatureResiduum(g,i,e) < 1.0_pReal ) then
|
||||
|
||||
if ( all( relStateResiduum(:,g,i,e) < rTol_crystalliteState &
|
||||
.or. abs(stateResiduum(1:sizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:sizeDotState)) &
|
||||
.and. relTemperatureResiduum(g,i,e) < rTol_crystalliteTemperature ) then
|
||||
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(6,mode) = debug_StateLoopDistribution(6,mode) + 1
|
||||
!$OMPEND CRITICAL (distributionState)
|
||||
|
||||
|
||||
endif
|
||||
|
||||
endif
|
||||
|
|
@ -2122,7 +2117,7 @@ use constitutive, only: constitutive_dotState, &
|
|||
constitutive_sizeDotState, &
|
||||
constitutive_subState0, &
|
||||
constitutive_state, &
|
||||
constitutive_relevantState, &
|
||||
constitutive_aTolState, &
|
||||
constitutive_microstructure
|
||||
use debug, only: debugger, &
|
||||
selectiveDebugger, &
|
||||
|
|
@ -2163,8 +2158,8 @@ endif
|
|||
|
||||
constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum
|
||||
|
||||
! setting flag to true if state is below relative tolerance, otherwise set it to false
|
||||
crystallite_updateState = all( constitutive_state(g,i,e)%p(1:mySize) < constitutive_relevantState(g,i,e)%p(1:mySize) &
|
||||
! setting flag to true if residuum is below relative/absolute tolerance, otherwise set it to false
|
||||
crystallite_updateState = all( abs(residuum) < constitutive_aTolState(g,i,e)%p(1:mySize) &
|
||||
.or. abs(residuum) < rTol_crystalliteState*abs(constitutive_state(g,i,e)%p(1:mySize)) )
|
||||
|
||||
if (verboseDebugger .and. selectiveDebugger) then
|
||||
|
|
|
|||
|
|
@ -94,7 +94,7 @@ n 20
|
|||
h0 75e6
|
||||
tausat 63e6
|
||||
w0 2.25
|
||||
relevantResistance 1
|
||||
atol_resistance 1
|
||||
|
||||
[Aluminum_phenopowerlaw]
|
||||
# slip only
|
||||
|
|
@ -138,7 +138,7 @@ interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
|||
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
relevantResistance 1
|
||||
atol_resistance 1
|
||||
|
||||
[Aluminum_nonlocal]
|
||||
|
||||
|
|
@ -239,7 +239,7 @@ lambda0 100 0 0 0 # prefactor for mean free path
|
|||
atomicVolume 1.7e-29
|
||||
D0 1e-4 # prefactor for self-diffusion coefficient
|
||||
Qsd 2.3e-19 # activation enthalpy for seld-diffusion
|
||||
relevantRho 1e3 # dislocation density considered relevant
|
||||
atol_rho 1e2 # dislocation density considered relevant
|
||||
interaction_SlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Dislocation interaction coefficient
|
||||
|
||||
[BCC_Ferrite]
|
||||
|
|
@ -271,7 +271,7 @@ interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
|||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
w0_slip 1.0
|
||||
relevantResistance 1
|
||||
atol_resistance 1
|
||||
|
||||
[BCC_Martensite]
|
||||
constitution phenopowerlaw
|
||||
|
|
@ -302,7 +302,7 @@ interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
|||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
w0_slip 2.0
|
||||
relevantResistance 1
|
||||
atol_resistance 1
|
||||
|
||||
|
||||
[TWIP steel FeMnC]
|
||||
|
|
@ -343,7 +343,7 @@ pexponent 1.0 # p-exponent in glide velocity
|
|||
qexponent 1.0 # q-exponent in glide velocity
|
||||
Catomicvolume 1.0 # Adj. parameter controlling the atomic volume [in b]
|
||||
Cedgedipmindistance 1.0 # Adj. parameter controlling the minimum dipole distance [in b]
|
||||
relevantRho 1.0e-200
|
||||
atol_rho 1.0e-200
|
||||
interactionSlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Interaction coefficients (Kubin et al. 2008)
|
||||
|
||||
### Twinning parameters ###
|
||||
|
|
|
|||
Loading…
Reference in New Issue