S and related quantities in new data layout
This commit is contained in:
Martin Diehl
parent
0d0a81a016
commit
e19ced830b
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@ -46,12 +46,9 @@ module constitutive
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type(rotation), dimension(:,:,:), allocatable :: &
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crystallite_orientation !< current orientation
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real(pReal), dimension(:,:,:,:,:), allocatable :: &
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crystallite_F0, & !< def grad at start of FE inc
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crystallite_S0, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_partitionedS0 !< 2nd Piola-Kirchhoff stress vector at start of homog inc
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crystallite_F0 !< def grad at start of FE inc
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real(pReal), dimension(:,:,:,:,:), allocatable, public :: &
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crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
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crystallite_S, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
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crystallite_partitionedF0, & !< def grad at start of homog inc
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crystallite_F !< def grad to be reached at end of homog inc
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@ -60,19 +57,25 @@ module constitutive
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end type
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type(tTensorContainer), dimension(:), allocatable :: &
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! current value
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constitutive_mech_Fe, &
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constitutive_mech_Fi, &
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constitutive_mech_Fp, &
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constitutive_mech_Li, &
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constitutive_mech_Lp, &
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constitutive_mech_S, &
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! converged value at end of last solver increment
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constitutive_mech_Fi0, &
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constitutive_mech_Fp0, &
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constitutive_mech_Li0, &
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constitutive_mech_Lp0, &
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constitutive_mech_S0, &
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! converged value at end of last homogenization increment (RGC only)
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constitutive_mech_partitionedFi0, &
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constitutive_mech_partitionedFp0, &
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constitutive_mech_partitionedLi0, &
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constitutive_mech_partitionedLp0
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constitutive_mech_partitionedLp0, &
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constitutive_mech_partitionedS0
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type :: tNumerics
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@ -611,7 +614,7 @@ end subroutine constitutive_LiAndItsTangents
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!--------------------------------------------------------------------------------------------------
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!> @brief contains the constitutive equation for calculating the rate of change of microstructure
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!--------------------------------------------------------------------------------------------------
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function constitutive_damage_collectDotState(S, co, ip, el,ph,of) result(broken)
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function constitutive_damage_collectDotState(co,ip,el,ph,of) result(broken)
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integer, intent(in) :: &
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co, & !< component-ID of integration point
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@ -619,8 +622,6 @@ function constitutive_damage_collectDotState(S, co, ip, el,ph,of) result(broken)
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el, & !< element
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ph, &
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of
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real(pReal), intent(in), dimension(3,3) :: &
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S !< 2nd Piola Kirchhoff stress (vector notation)
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integer :: &
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so !< counter in source loop
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logical :: broken
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@ -633,7 +634,7 @@ function constitutive_damage_collectDotState(S, co, ip, el,ph,of) result(broken)
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sourceType: select case (phase_source(so,ph))
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case (SOURCE_damage_anisoBrittle_ID) sourceType
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call source_damage_anisoBrittle_dotState(S, co, ip, el) ! correct stress?
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call source_damage_anisoBrittle_dotState(constitutive_mech_getS(co,ip,el), co, ip, el) ! correct stress?
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case (SOURCE_damage_isoDuctile_ID) sourceType
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call source_damage_isoDuctile_dotState(co, ip, el)
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@ -790,7 +791,6 @@ subroutine constitutive_forward
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integer :: i, j
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crystallite_F0 = crystallite_F
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crystallite_S0 = crystallite_S
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call constitutive_mech_forward()
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@ -860,14 +860,12 @@ subroutine crystallite_init
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iMax = discretization_nIPs
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eMax = discretization_Nelems
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allocate(crystallite_F(3,3,cMax,iMax,eMax),source=0.0_pReal)
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allocate(crystallite_P(3,3,cMax,iMax,eMax),source=0.0_pReal)
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allocate(crystallite_S0, &
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crystallite_F0, &
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crystallite_partitionedS0, &
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allocate(crystallite_F0, &
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crystallite_partitionedF0,&
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crystallite_S,crystallite_P, &
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source = crystallite_F)
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crystallite_F, &
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source = crystallite_P)
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allocate(crystallite_orientation(cMax,iMax,eMax))
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@ -918,6 +916,9 @@ subroutine crystallite_init
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allocate(constitutive_mech_partitionedLp0(phases%length))
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allocate(constitutive_mech_Lp0(phases%length))
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allocate(constitutive_mech_Lp(phases%length))
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allocate(constitutive_mech_S(phases%length))
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allocate(constitutive_mech_S0(phases%length))
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allocate(constitutive_mech_partitionedS0(phases%length))
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do ph = 1, phases%length
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Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
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@ -934,6 +935,9 @@ subroutine crystallite_init
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allocate(constitutive_mech_partitionedLp0(ph)%data(3,3,Nconstituents))
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allocate(constitutive_mech_Lp0(ph)%data(3,3,Nconstituents))
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allocate(constitutive_mech_Lp(ph)%data(3,3,Nconstituents))
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allocate(constitutive_mech_S(ph)%data(3,3,Nconstituents))
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allocate(constitutive_mech_S0(ph)%data(3,3,Nconstituents))
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allocate(constitutive_mech_partitionedS0(ph)%data(3,3,Nconstituents))
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do so = 1, phase_Nsources(ph)
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allocate(sourceState(ph)%p(so)%subState0,source=sourceState(ph)%p(so)%state0) ! ToDo: hack
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enddo
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@ -1006,7 +1010,6 @@ subroutine constitutive_initializeRestorationPoints(ip,el)
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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crystallite_partitionedF0(1:3,1:3,co,ip,el) = crystallite_F0(1:3,1:3,co,ip,el)
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crystallite_partitionedS0(1:3,1:3,co,ip,el) = crystallite_S0(1:3,1:3,co,ip,el)
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call mech_initializeRestorationPoints(ph,me)
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@ -1037,7 +1040,6 @@ subroutine constitutive_windForward(ip,el)
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ph = material_phaseAt(co,el)
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me = material_phaseMemberAt(co,ip,el)
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crystallite_partitionedF0 (1:3,1:3,co,ip,el) = crystallite_F (1:3,1:3,co,ip,el)
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crystallite_partitionedS0 (1:3,1:3,co,ip,el) = crystallite_S (1:3,1:3,co,ip,el)
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call constitutive_mech_windForward(ph,me)
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do so = 1, phase_Nsources(material_phaseAt(co,el))
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@ -1086,10 +1088,10 @@ function crystallite_stressTangent(dt,co,ip,el) result(dPdF)
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me = material_phaseMemberAt(co,ip,el)
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call constitutive_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
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constitutive_mech_Fp(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fe(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
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call constitutive_LiAndItsTangents(devNull,dLidS,dLidFi, &
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crystallite_S (1:3,1:3,co,ip,el), &
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constitutive_mech_S(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
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co,ip,el)
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@ -1122,7 +1124,7 @@ function crystallite_stressTangent(dt,co,ip,el) result(dPdF)
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endif
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call constitutive_plastic_LpAndItsTangents(devNull,dLpdS,dLpdFi, &
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crystallite_S (1:3,1:3,co,ip,el), &
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constitutive_mech_S(ph)%data(1:3,1:3,me), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
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dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
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@ -1158,9 +1160,9 @@ function crystallite_stressTangent(dt,co,ip,el) result(dPdF)
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!--------------------------------------------------------------------------------------------------
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! assemble dPdF
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temp_33_1 = matmul(crystallite_S(1:3,1:3,co,ip,el),transpose(invFp))
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temp_33_1 = matmul(constitutive_mech_S(ph)%data(1:3,1:3,me),transpose(invFp))
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temp_33_2 = matmul(crystallite_F(1:3,1:3,co,ip,el),invFp)
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temp_33_3 = matmul(temp_33_2,crystallite_S(1:3,1:3,co,ip,el))
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temp_33_3 = matmul(temp_33_2,constitutive_mech_S(ph)%data(1:3,1:3,me))
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dPdF = 0.0_pReal
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do p=1,3
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@ -1188,7 +1190,7 @@ subroutine crystallite_orientations(co,ip,el)
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call crystallite_orientation(co,ip,el)%fromMatrix(transpose(math_rotationalPart(&
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constitutive_mech_Fe(material_phaseAt(ip,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el)))))
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constitutive_mech_Fe(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el)))))
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if (plasticState(material_phaseAt(1,el))%nonlocal) &
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call plastic_nonlocal_updateCompatibility(crystallite_orientation, &
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@ -1253,7 +1255,7 @@ function integrateSourceState(dt,co,ip,el) result(broken)
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converged_ = .true.
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broken = constitutive_thermal_collectDotState(ph,me)
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broken = broken .or. constitutive_damage_collectDotState(crystallite_S(1:3,1:3,co,ip,el), co,ip,el,ph,me)
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broken = broken .or. constitutive_damage_collectDotState(co,ip,el,ph,me)
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if(broken) return
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do so = 1, phase_Nsources(ph)
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@ -1271,7 +1273,7 @@ function integrateSourceState(dt,co,ip,el) result(broken)
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enddo
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broken = constitutive_thermal_collectDotState(ph,me)
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broken = broken .or. constitutive_damage_collectDotState(crystallite_S(1:3,1:3,co,ip,el), co,ip,el,ph,me)
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broken = broken .or. constitutive_damage_collectDotState(co,ip,el,ph,me)
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if(broken) exit iteration
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do so = 1, phase_Nsources(ph)
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@ -1358,7 +1360,6 @@ subroutine crystallite_restartWrite
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fileHandle = HDF5_openFile(fileName,'a')
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call HDF5_write(fileHandle,crystallite_F,'F')
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call HDF5_write(fileHandle,crystallite_S, 'S')
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groupHandle = HDF5_addGroup(fileHandle,'phase')
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do ph = 1,size(material_name_phase)
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@ -1372,6 +1373,8 @@ subroutine crystallite_restartWrite
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call HDF5_write(groupHandle,constitutive_mech_Lp(ph)%data,datasetName)
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write(datasetName,'(i0,a)') ph,'_F_p'
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call HDF5_write(groupHandle,constitutive_mech_Fp(ph)%data,datasetName)
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write(datasetName,'(i0,a)') ph,'_S'
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call HDF5_write(groupHandle,constitutive_mech_S(ph)%data,datasetName)
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enddo
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call HDF5_closeGroup(groupHandle)
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@ -1403,7 +1406,6 @@ subroutine crystallite_restartRead
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fileHandle = HDF5_openFile(fileName)
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call HDF5_read(fileHandle,crystallite_F0, 'F')
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call HDF5_read(fileHandle,crystallite_S0, 'S')
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groupHandle = HDF5_openGroup(fileHandle,'phase')
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do ph = 1,size(material_name_phase)
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@ -1417,6 +1419,8 @@ subroutine crystallite_restartRead
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call HDF5_read(groupHandle,constitutive_mech_Lp0(ph)%data,datasetName)
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write(datasetName,'(i0,a)') ph,'_F_p'
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call HDF5_read(groupHandle,constitutive_mech_Fp0(ph)%data,datasetName)
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write(datasetName,'(i0,a)') ph,'_S'
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call HDF5_read(groupHandle,constitutive_mech_S0(ph)%data,datasetName)
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enddo
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call HDF5_closeGroup(groupHandle)
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@ -1438,7 +1442,7 @@ function constitutive_mech_getS(co,ip,el) result(S)
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integer, intent(in) :: co, ip, el
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real(pReal), dimension(3,3) :: S
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S = crystallite_S(1:3,1:3,co,ip,el)
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S = constitutive_mech_S(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
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end function constitutive_mech_getS
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@ -609,7 +609,7 @@ function mech_collectDotState(subdt, co, ip, el,ph,of) result(broken)
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instance = phase_plasticityInstance(ph)
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Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,of)),&
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constitutive_mech_Fi(ph)%data(1:3,1:3,of)),crystallite_S(1:3,1:3,co,ip,el))
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constitutive_mech_Fi(ph)%data(1:3,1:3,of)),constitutive_mech_S(ph)%data(1:3,1:3,of))
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plasticityType: select case (phase_plasticity(ph))
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@ -642,7 +642,7 @@ end function mech_collectDotState
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!> @brief for constitutive models having an instantaneous change of state
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!> will return false if delta state is not needed/supported by the constitutive model
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!--------------------------------------------------------------------------------------------------
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function constitutive_deltaState(S, Fi, co, ip, el, ph, of) result(broken)
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function constitutive_deltaState(co, ip, el, ph, of) result(broken)
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integer, intent(in) :: &
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co, & !< component-ID of integration point
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@ -650,19 +650,19 @@ function constitutive_deltaState(S, Fi, co, ip, el, ph, of) result(broken)
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el, & !< element
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ph, &
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of
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real(pReal), intent(in), dimension(3,3) :: &
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S, & !< 2nd Piola Kirchhoff stress
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Fi !< intermediate deformation gradient
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logical :: &
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broken
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real(pReal), dimension(3,3) :: &
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Mp
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integer :: &
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instance, &
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myOffset, &
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mySize
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logical :: &
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broken
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Mp = matmul(matmul(transpose(Fi),Fi),S)
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Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,of)),&
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constitutive_mech_Fi(ph)%data(1:3,1:3,of)),constitutive_mech_S(ph)%data(1:3,1:3,of))
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instance = phase_plasticityInstance(ph)
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plasticityType: select case (phase_plasticity(ph))
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@ -936,7 +936,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
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if (error) return ! error
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crystallite_P (1:3,1:3,co,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
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crystallite_S (1:3,1:3,co,ip,el) = S
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constitutive_mech_S(ph)%data(1:3,1:3,me) = S
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constitutive_mech_Lp(ph)%data(1:3,1:3,me) = Lpguess
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constitutive_mech_Li(ph)%data(1:3,1:3,me) = Liguess
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constitutive_mech_Fp(ph)%data(1:3,1:3,me) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
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@ -1008,8 +1008,7 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
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plasticState(ph)%state(1:sizeDotState,me) = plasticState(ph)%state(1:sizeDotState,me) &
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- r(1:sizeDotState)
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if (converged(r(1:sizeDotState),plasticState(ph)%state(1:sizeDotState,me),plasticState(ph)%atol(1:sizeDotState))) then
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broken = constitutive_deltaState(crystallite_S(1:3,1:3,co,ip,el), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el,ph,me)
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broken = constitutive_deltaState(co,ip,el,ph,me)
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exit iteration
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endif
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@ -1071,8 +1070,7 @@ function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) res
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plasticState(ph)%state(1:sizeDotState,me) = subState0 &
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+ plasticState(ph)%dotState(1:sizeDotState,me) * Delta_t
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broken = constitutive_deltaState(crystallite_S(1:3,1:3,co,ip,el), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el,ph,me)
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broken = constitutive_deltaState(co,ip,el,ph,me)
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if(broken) return
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broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
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@ -1114,8 +1112,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip
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plasticState(ph)%state(1:sizeDotState,me) = subState0 &
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+ plasticState(ph)%dotstate(1:sizeDotState,me) * Delta_t
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broken = constitutive_deltaState(crystallite_S(1:3,1:3,co,ip,el), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el,ph,me)
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broken = constitutive_deltaState(co,ip,el,ph,me)
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if(broken) return
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broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
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@ -1264,8 +1261,7 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
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if(broken) return
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broken = constitutive_deltaState(crystallite_S(1:3,1:3,co,ip,el), &
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constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el,ph,me)
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broken = constitutive_deltaState(co,ip,el,ph,me)
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if(broken) return
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broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
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@ -1316,8 +1312,7 @@ subroutine crystallite_results(group,ph)
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call results_writeDataset(group//'/mechanics/',selected_tensors,output_constituent(ph)%label(ou),&
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'First Piola-Kirchhoff stress','Pa')
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case('S')
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selected_tensors = select_tensors(crystallite_S,ph)
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call results_writeDataset(group//'/mechanics/',selected_tensors,output_constituent(ph)%label(ou),&
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call results_writeDataset(group//'/mechanics/',constitutive_mech_S(ph)%data,output_constituent(ph)%label(ou),&
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'Second Piola-Kirchhoff stress','Pa')
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case('O')
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select case(lattice_structure(ph))
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@ -1412,6 +1407,8 @@ module subroutine mech_initializeRestorationPoints(ph,me)
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constitutive_mech_partitionedFp0(ph)%data(1:3,1:3,me) = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
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constitutive_mech_partitionedLi0(ph)%data(1:3,1:3,me) = constitutive_mech_Li0(ph)%data(1:3,1:3,me)
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constitutive_mech_partitionedLp0(ph)%data(1:3,1:3,me) = constitutive_mech_Lp0(ph)%data(1:3,1:3,me)
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constitutive_mech_partitionedS0(ph)%data(1:3,1:3,me) = constitutive_mech_S0(ph)%data(1:3,1:3,me)
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plasticState(ph)%partitionedState0(:,me) = plasticState(ph)%state0(:,me)
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end subroutine mech_initializeRestorationPoints
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@ -1429,6 +1426,7 @@ module subroutine constitutive_mech_windForward(ph,me)
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constitutive_mech_partitionedFi0(ph)%data(1:3,1:3,me) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
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||||
constitutive_mech_partitionedLi0(ph)%data(1:3,1:3,me) = constitutive_mech_Li(ph)%data(1:3,1:3,me)
|
||||
constitutive_mech_partitionedLp0(ph)%data(1:3,1:3,me) = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
|
||||
constitutive_mech_partitionedS0(ph)%data(1:3,1:3,me) = constitutive_mech_S(ph)%data(1:3,1:3,me)
|
||||
|
||||
plasticState(ph)%partitionedState0(:,me) = plasticState(ph)%state(:,me)
|
||||
|
||||
|
|
@ -1445,11 +1443,12 @@ module subroutine constitutive_mech_forward()
|
|||
|
||||
|
||||
do ph = 1, size(plasticState)
|
||||
plasticState(ph)%state0 = plasticState(ph)%state
|
||||
constitutive_mech_Fi0(ph) = constitutive_mech_Fi(ph)
|
||||
constitutive_mech_Fp0(ph) = constitutive_mech_Fp(ph)
|
||||
constitutive_mech_Li0(ph) = constitutive_mech_Li(ph)
|
||||
constitutive_mech_Lp0(ph) = constitutive_mech_Lp(ph)
|
||||
constitutive_mech_S0(ph) = constitutive_mech_S(ph)
|
||||
plasticState(ph)%state0 = plasticState(ph)%state
|
||||
enddo
|
||||
|
||||
end subroutine constitutive_mech_forward
|
||||
|
|
@ -1553,7 +1552,7 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
|
|||
subStep = num%subStepSizeCryst * subStep
|
||||
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = subFp0
|
||||
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = subFi0
|
||||
crystallite_S (1:3,1:3,co,ip,el) = crystallite_S0 (1:3,1:3,co,ip,el)
|
||||
constitutive_mech_S(ph)%data(1:3,1:3,me) = constitutive_mech_S0(ph)%data(1:3,1:3,me) ! why no subS0 ? is S0 of any use?
|
||||
if (subStep < 1.0_pReal) then ! actual (not initial) cutback
|
||||
constitutive_mech_Lp(ph)%data(1:3,1:3,me) = subLp0
|
||||
constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0
|
||||
|
|
@ -1607,7 +1606,7 @@ module subroutine mech_restore(ip,el,includeL)
|
|||
|
||||
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = constitutive_mech_partitionedFp0(ph)%data(1:3,1:3,me)
|
||||
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = constitutive_mech_partitionedFi0(ph)%data(1:3,1:3,me)
|
||||
crystallite_S (1:3,1:3,co,ip,el) = crystallite_partitionedS0 (1:3,1:3,co,ip,el)
|
||||
constitutive_mech_S(ph)%data(1:3,1:3,me) = constitutive_mech_partitionedS0(ph)%data(1:3,1:3,me)
|
||||
|
||||
plasticState (material_phaseAt(co,el))%state( :,material_phasememberAt(co,ip,el)) = &
|
||||
plasticState (material_phaseAt(co,el))%partitionedState0(:,material_phasememberAt(co,ip,el))
|
||||
|
|
|
|||
Loading…
Reference in New Issue