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DAMASK_EICMD/src/constitutive_mech.f90

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cleaning
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!----------------------------------------------------------------------------------------------------
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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!> @brief internal microstructure state for all plasticity constitutive models
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!----------------------------------------------------------------------------------------------------
WIP: compatible with new names
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submodule(constitutive) constitutive_mech
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simplifying no extral handling for homogeneous temperature (the memory that was saved was consumed by the extra mapping)
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integer(kind(ELASTICITY_undefined_ID)), dimension(:), allocatable :: &
phase_elasticity !< elasticity of each phase
integer(kind(SOURCE_undefined_ID)), dimension(:,:), allocatable :: &
phase_stiffnessDegradation !< active stiffness degradation mechanisms of each phase
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interface
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module function plastic_none_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_none_init
module function plastic_isotropic_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_isotropic_init
module function plastic_phenopowerlaw_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_phenopowerlaw_init
module function plastic_kinehardening_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_kinehardening_init
module function plastic_dislotwin_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_dislotwin_init
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module function plastic_dislotungsten_init() result(myPlasticity)
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logical, dimension(:), allocatable :: &
myPlasticity
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end function plastic_dislotungsten_init
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module function plastic_nonlocal_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_nonlocal_init
sources and kinematics modules under submodules
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module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_isotropic_LpAndItsTangent
pure module subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_phenopowerlaw_LpAndItsTangent
pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_kinehardening_LpAndItsTangent
module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_dislotwin_LpAndItsTangent
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
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pure module subroutine plastic_dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
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real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
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end subroutine plastic_dislotungsten_LpAndItsTangent
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module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,instance,of,ip,el)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
Temperature
integer, intent(in) :: &
instance, &
of, &
ip, & !< current integration point
el !< current element number
end subroutine plastic_nonlocal_LpAndItsTangent
separating
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module subroutine plastic_isotropic_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_isotropic_dotState
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_phenopowerlaw_dotState
module subroutine plastic_kinehardening_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_kinehardening_dotState
module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_dislotwin_dotState
module subroutine plastic_disloTungsten_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloTungsten_dotState
module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
instance,of,ip,el)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress
real(pReal), dimension(3,3,homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems), intent(in) :: &
F, & !< deformation gradient
Fp !< plastic deformation gradient
real(pReal), intent(in) :: &
Temperature, & !< temperature
timestep !< substepped crystallite time increment
integer, intent(in) :: &
instance, &
of, &
ip, & !< current integration point
el !< current element number
end subroutine plastic_nonlocal_dotState
sources and kinematics modules under submodules
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module subroutine plastic_dislotwin_dependentState(T,instance,of)
integer, intent(in) :: &
instance, &
of
real(pReal), intent(in) :: &
T
end subroutine plastic_dislotwin_dependentState
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module subroutine plastic_dislotungsten_dependentState(instance,of)
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integer, intent(in) :: &
instance, &
of
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end subroutine plastic_dislotungsten_dependentState
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module subroutine plastic_nonlocal_dependentState(F, Fp, instance, of, ip, el)
real(pReal), dimension(3,3), intent(in) :: &
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F, & !< deformation gradient
Fp !< plastic deformation gradient
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integer, intent(in) :: &
instance, &
of, &
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ip, & !< current integration point
el !< current element number
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end subroutine plastic_nonlocal_dependentState
mech/plastic only
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module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_kinehardening_deltaState
module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
real(pReal), dimension(3,3), intent(in) :: &
Mp
integer, intent(in) :: &
instance, &
of, &
ip, &
el
end subroutine plastic_nonlocal_deltaState
results placed where it belongs; cleaning
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module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_isotropic_results
module subroutine plastic_phenopowerlaw_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_phenopowerlaw_results
module subroutine plastic_kinehardening_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_kinehardening_results
module subroutine plastic_dislotwin_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
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module subroutine plastic_dislotungsten_results(instance,group)
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integer, intent(in) :: instance
character(len=*), intent(in) :: group
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end subroutine plastic_dislotungsten_results
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module subroutine plastic_nonlocal_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_nonlocal_results
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end interface
contains
!--------------------------------------------------------------------------------------------------
polishing
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!> @brief Initialize mechanical field related constitutive models
!> @details Initialize elasticity, plasticity and stiffness degradation models.
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!--------------------------------------------------------------------------------------------------
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module subroutine mech_init
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integer :: &
p, &
stiffDegradationCtr
class(tNode), pointer :: &
phases, &
phase, &
under mech dictionary
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mech, &
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elastic, &
stiffDegradation
Restructuring for material.yaml
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WIP: compatible with new names
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print'(/,a)', ' <<<+- constitutive_mech init -+>>>'
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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!-------------------------------------------------------------------------------------------------
! initialize elasticity (hooke) !ToDO: Maybe move to elastic submodule along with function homogenizedC?
prefix should be name of the module poor substitute for namespace
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phases => config_material%get('phase')
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allocate(phase_elasticity(phases%length), source = ELASTICITY_undefined_ID)
allocate(phase_elasticityInstance(phases%length), source = 0)
allocate(phase_NstiffnessDegradations(phases%length),source=0)
do p = 1, phases%length
phase => phases%get(p)
mech --> mechanics
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mech => phase%get('mechanics')
under mech dictionary
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elastic => mech%get('elasticity')
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if(elastic%get_asString('type') == 'hooke') then
phase_elasticity(p) = ELASTICITY_HOOKE_ID
else
call IO_error(200,ext_msg=elastic%get_asString('type'))
endif
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stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList) ! check for stiffness degradation mechanisms
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phase_NstiffnessDegradations(p) = stiffDegradation%length
enddo
allocate(phase_stiffnessDegradation(maxval(phase_NstiffnessDegradations),phases%length), &
source=STIFFNESS_DEGRADATION_undefined_ID)
if(maxVal(phase_NstiffnessDegradations)/=0) then
do p = 1, phases%length
phase => phases%get(p)
mech --> mechanics
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mech => phase%get('mechanics')
under mech dictionary
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stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList)
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do stiffDegradationCtr = 1, stiffDegradation%length
if(stiffDegradation%get_asString(stiffDegradationCtr) == 'damage') &
phase_stiffnessDegradation(stiffDegradationCtr,p) = STIFFNESS_DEGRADATION_damage_ID
enddo
enddo
endif
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WIP: compatible with new names
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! initialize plasticity
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allocate(plasticState(phases%length))
allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
allocate(phase_plasticityInstance(phases%length),source = 0)
allocate(phase_localPlasticity(phases%length), source=.true.)
where(plastic_none_init()) phase_plasticity = PLASTICITY_NONE_ID
where(plastic_isotropic_init()) phase_plasticity = PLASTICITY_ISOTROPIC_ID
where(plastic_phenopowerlaw_init()) phase_plasticity = PLASTICITY_PHENOPOWERLAW_ID
where(plastic_kinehardening_init()) phase_plasticity = PLASTICITY_KINEHARDENING_ID
where(plastic_dislotwin_init()) phase_plasticity = PLASTICITY_DISLOTWIN_ID
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
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where(plastic_dislotungsten_init()) phase_plasticity = PLASTICITY_DISLOTUNGSTEN_ID
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where(plastic_nonlocal_init()) phase_plasticity = PLASTICITY_NONLOCAL_ID
do p = 1, phases%length
under mech dictionary
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phase_elasticityInstance(p) = count(phase_elasticity(1:p) == phase_elasticity(p))
Restructuring for material.yaml
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phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p))
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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enddo
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move to different module
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end subroutine mech_init
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probably a more readable structure
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!--------------------------------------------------------------------------------------------------
!> @brief checks if a plastic module is active or not
!--------------------------------------------------------------------------------------------------
module function plastic_active(plastic_label) result(active_plastic)
character(len=*), intent(in) :: plastic_label !< type of plasticity model
logical, dimension(:), allocatable :: active_plastic
class(tNode), pointer :: &
phases, &
phase, &
under mech dictionary
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mech, &
Restructuring for material.yaml
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pl
integer :: p
prefix should be name of the module poor substitute for namespace
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phases => config_material%get('phase')
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allocate(active_plastic(phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
mech --> mechanics
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mech => phase%get('mechanics')
under mech dictionary
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pl => mech%get('plasticity')
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if(pl%get_asString('type') == plastic_label) active_plastic(p) = .true.
enddo
end function plastic_active
move to different module
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!--------------------------------------------------------------------------------------------------
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> the elastic and intermediate deformation gradients using Hooke's law
!--------------------------------------------------------------------------------------------------
only hooke is implemented one function call is enough for the moment. Should complicate/(have switch cases) when other laws apart from hooke is implemented.
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module subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
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Fe, Fi, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
Fe, & !< elastic deformation gradient
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
S !< 2nd Piola-Kirchhoff stress tensor in lattice configuration
real(pReal), intent(out), dimension(3,3,3,3) :: &
dS_dFe, & !< derivative of 2nd P-K stress with respect to elastic deformation gradient
dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
real(pReal), dimension(3,3) :: E
real(pReal), dimension(3,3,3,3) :: C
integer :: &
ho, & !< homogenization
d !< counter in degradation loop
integer :: &
i, j
ho = material_homogenizationAt(el)
C = math_66toSym3333(constitutive_homogenizedC(ipc,ip,el))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(ipc,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(ipc,el)))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType
no extra mapping for damage
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C = C * damage(ho)%p(material_homogenizationMemberAt(ip,el))**2
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end select degradationType
enddo DegradationLoop
E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
do i =1, 3;do j=1,3
dS_dFe(i,j,1:3,1:3) = matmul(Fe,matmul(matmul(Fi,C(i,j,1:3,1:3)),transpose(Fi))) !< dS_ij/dFe_kl = C_ijmn * Fi_lm * Fi_on * Fe_ko
dS_dFi(i,j,1:3,1:3) = 2.0_pReal*matmul(matmul(E,Fi),C(i,j,1:3,1:3)) !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
enddo; enddo
end subroutine constitutive_hooke_SandItsTangents
sources and kinematics modules under submodules
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!--------------------------------------------------------------------------------------------------
cleaning
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!> @brief calls microstructure function of the different plasticity constitutive models
sources and kinematics modules under submodules
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!--------------------------------------------------------------------------------------------------
cleaning
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module subroutine constitutive_plastic_dependentState(F, Fp, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
F, & !< elastic deformation gradient
Fp !< plastic deformation gradient
cleaner
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sources and kinematics modules under submodules
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integer :: &
ho, & !< homogenization
tme, & !< thermal member position
instance, of
ho = material_homogenizationAt(el)
simplifying no extral handling for homogeneous temperature (the memory that was saved was consumed by the extra mapping)
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tme = material_homogenizationMemberAt(ip,el)
sources and kinematics modules under submodules
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of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_dependentState(temperature(ho)%p(tme),instance,of)
Restructuring for material.yaml
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case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
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call plastic_dislotungsten_dependentState(instance,of)
sources and kinematics modules under submodules
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case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dependentState (F,Fp,instance,of,ip,el)
end select plasticityType
cleaning
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end subroutine constitutive_plastic_dependentState
sources and kinematics modules under submodules
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!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: Discuss whether it makes sense if crystallite handles the configuration conversion, i.e.
! Mp in, dLp_dMp out
!--------------------------------------------------------------------------------------------------
cleaning
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module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
cleaner
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sources and kinematics modules under submodules
2020-07-09 04:31:08 +05:30
real(pReal), dimension(3,3,3,3) :: &
dLp_dMp !< derivative of Lp with respect to Mandel stress
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress work conjugate with Lp
integer :: &
ho, & !< homogenization
tme !< thermal member position
integer :: &
i, j, instance, of
ho = material_homogenizationAt(el)
simplifying no extral handling for homogeneous temperature (the memory that was saved was consumed by the extra mapping)
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tme = material_homogenizationMemberAt(ip,el)
sources and kinematics modules under submodules
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Mp = matmul(matmul(transpose(Fi),Fi),S)
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_NONE_ID) plasticityType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
Restructuring for material.yaml
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call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
sources and kinematics modules under submodules
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case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
Restructuring for material.yaml
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call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, temperature(ho)%p(tme),instance,of,ip,el)
sources and kinematics modules under submodules
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case (PLASTICITY_DISLOTWIN_ID) plasticityType
Restructuring for material.yaml
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call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
sources and kinematics modules under submodules
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Restructuring for material.yaml
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case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
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call plastic_dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
sources and kinematics modules under submodules
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end select plasticityType
do i=1,3; do j=1,3
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S)
dLp_dS(i,j,1:3,1:3) = matmul(matmul(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
enddo; enddo
cleaning
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end subroutine constitutive_plastic_LpAndItsTangents
sources and kinematics modules under submodules
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separating
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!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
there are module functions
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module function constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el,phase,of) result(broken)
separating
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integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
phase, &
of
real(pReal), intent(in) :: &
subdt !< timestep
real(pReal), intent(in), dimension(3,3,homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems) :: &
FArray, & !< elastic deformation gradient
FpArray !< plastic deformation gradient
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
real(pReal), intent(in), dimension(3,3) :: &
S !< 2nd Piola Kirchhoff stress (vector notation)
real(pReal), dimension(3,3) :: &
Mp
integer :: &
ho, & !< homogenization
tme, & !< thermal member position
i, & !< counter in source loop
instance
logical :: broken
ho = material_homogenizationAt(el)
tme = material_homogenizationMemberAt(ip,el)
instance = phase_plasticityInstance(phase)
Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticityType: select case (phase_plasticity(phase))
case (PLASTICITY_ISOTROPIC_ID) plasticityType
call plastic_isotropic_dotState(Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_dotState(Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_dotState(Mp,instance,of)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_dotState(Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call plastic_disloTungsten_dotState(Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dotState(Mp,FArray,FpArray,temperature(ho)%p(tme),subdt, &
instance,of,ip,el)
end select plasticityType
broken = any(IEEE_is_NaN(plasticState(phase)%dotState(:,of)))
end function constitutive_collectDotState
mech/plastic only
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!--------------------------------------------------------------------------------------------------
!> @brief for constitutive models having an instantaneous change of state
!> will return false if delta state is not needed/supported by the constitutive model
!--------------------------------------------------------------------------------------------------
there are module functions
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module function constitutive_deltaState(S, Fi, ipc, ip, el, phase, of) result(broken)
mech/plastic only
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integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
phase, &
of
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), dimension(3,3) :: &
Mp
integer :: &
instance, &
myOffset, &
mySize
logical :: &
broken
Mp = matmul(matmul(transpose(Fi),Fi),S)
instance = phase_plasticityInstance(phase)
plasticityType: select case (phase_plasticity(phase))
case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_deltaState(Mp,instance,of)
broken = any(IEEE_is_NaN(plasticState(phase)%deltaState(:,of)))
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
broken = any(IEEE_is_NaN(plasticState(phase)%deltaState(:,of)))
case default
broken = .false.
end select plasticityType
if(.not. broken) then
select case(phase_plasticity(phase))
case (PLASTICITY_NONLOCAL_ID,PLASTICITY_KINEHARDENING_ID)
myOffset = plasticState(phase)%offsetDeltaState
mySize = plasticState(phase)%sizeDeltaState
plasticState(phase)%state(myOffset + 1:myOffset + mySize,of) = &
plasticState(phase)%state(myOffset + 1:myOffset + mySize,of) + plasticState(phase)%deltaState(1:mySize,of)
end select
endif
end function constitutive_deltaState
cleaning
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!--------------------------------------------------------------------------------------------
!> @brief writes plasticity constitutive results to HDF5 output file
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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!--------------------------------------------------------------------------------------------
results placed where it belongs; cleaning
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module subroutine plastic_results
integer :: p
use variable string length for array, padding is needed to get same length
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character(len=:), allocatable :: group
results placed where it belongs; cleaning
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Restructuring for material.yaml
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plasticityLoop: do p=1,size(material_name_phase)
use variable string length for array, padding is needed to get same length
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group = '/current/phase/'//trim(material_name_phase(p))
results placed where it belongs; cleaning
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call results_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic'
call results_closeGroup(results_addGroup(group))
select case(phase_plasticity(p))
case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(phase_plasticityInstance(p),group)
case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),group)
case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(p),group)
Restructuring for material.yaml
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case(PLASTICITY_DISLOTUNGSTEN_ID)
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
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call plastic_dislotungsten_results(phase_plasticityInstance(p),group)
results placed where it belongs; cleaning
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case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(p),group)
end select
enddo plasticityLoop
end subroutine plastic_results
only relevant for mechanics
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!--------------------------------------------------------------------------------------------------
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
!> intermediate acceleration of the Newton-Raphson correction
!--------------------------------------------------------------------------------------------------
function integrateStress(ipc,ip,el,timeFraction) result(broken)
integer, intent(in):: el, & ! element index
ip, & ! integration point index
ipc ! grain index
real(pReal), optional, intent(in) :: timeFraction ! fraction of timestep
real(pReal), dimension(3,3):: F, & ! deformation gradient at end of timestep
Fp_new, & ! plastic deformation gradient at end of timestep
invFp_new, & ! inverse of Fp_new
invFp_current, & ! inverse of Fp_current
Lpguess, & ! current guess for plastic velocity gradient
Lpguess_old, & ! known last good guess for plastic velocity gradient
Lp_constitutive, & ! plastic velocity gradient resulting from constitutive law
residuumLp, & ! current residuum of plastic velocity gradient
residuumLp_old, & ! last residuum of plastic velocity gradient
deltaLp, & ! direction of next guess
Fi_new, & ! gradient of intermediate deformation stages
invFi_new, &
invFi_current, & ! inverse of Fi_current
Liguess, & ! current guess for intermediate velocity gradient
Liguess_old, & ! known last good guess for intermediate velocity gradient
Li_constitutive, & ! intermediate velocity gradient resulting from constitutive law
residuumLi, & ! current residuum of intermediate velocity gradient
residuumLi_old, & ! last residuum of intermediate velocity gradient
deltaLi, & ! direction of next guess
Fe, & ! elastic deformation gradient
S, & ! 2nd Piola-Kirchhoff Stress in plastic (lattice) configuration
A, &
B, &
temp_33
real(pReal), dimension(9) :: temp_9 ! needed for matrix inversion by LAPACK
integer, dimension(9) :: devNull_9 ! needed for matrix inversion by LAPACK
real(pReal), dimension(9,9) :: dRLp_dLp, & ! partial derivative of residuum (Jacobian for Newton-Raphson scheme)
dRLi_dLi ! partial derivative of residuumI (Jacobian for Newton-Raphson scheme)
real(pReal), dimension(3,3,3,3):: dS_dFe, & ! partial derivative of 2nd Piola-Kirchhoff stress
dS_dFi, &
dFe_dLp, & ! partial derivative of elastic deformation gradient
dFe_dLi, &
dFi_dLi, &
dLp_dFi, &
dLi_dFi, &
dLp_dS, &
dLi_dS
real(pReal) steplengthLp, &
steplengthLi, &
dt, & ! time increment
atol_Lp, &
atol_Li, &
devNull
integer NiterationStressLp, & ! number of stress integrations
NiterationStressLi, & ! number of inner stress integrations
ierr, & ! error indicator for LAPACK
o, &
p, &
m, &
jacoCounterLp, &
jacoCounterLi ! counters to check for Jacobian update
logical :: error,broken
broken = .true.
if (present(timeFraction)) then
dt = crystallite_subdt(ipc,ip,el) * timeFraction
F = crystallite_subF0(1:3,1:3,ipc,ip,el) &
+ (crystallite_subF(1:3,1:3,ipc,ip,el) - crystallite_subF0(1:3,1:3,ipc,ip,el)) * timeFraction
else
dt = crystallite_subdt(ipc,ip,el)
F = crystallite_subF(1:3,1:3,ipc,ip,el)
endif
call constitutive_plastic_dependentState(crystallite_partitionedF(1:3,1:3,ipc,ip,el), &
crystallite_Fp(1:3,1:3,ipc,ip,el),ipc,ip,el)
p = material_phaseAt(ipc,el)
m = material_phaseMemberAt(ipc,ip,el)
Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess
Liguess = constitutive_mech_Li(p)%data(1:3,1:3,m) ! take as first guess
call math_invert33(invFp_current,devNull,error,crystallite_subFp0(1:3,1:3,ipc,ip,el))
if (error) return ! error
call math_invert33(invFi_current,devNull,error,crystallite_subFi0(1:3,1:3,ipc,ip,el))
if (error) return ! error
A = matmul(F,invFp_current) ! intermediate tensor needed later to calculate dFe_dLp
jacoCounterLi = 0
steplengthLi = 1.0_pReal
residuumLi_old = 0.0_pReal
Liguess_old = Liguess
NiterationStressLi = 0
LiLoop: do
NiterationStressLi = NiterationStressLi + 1
if (NiterationStressLi>num%nStress) return ! error
invFi_new = matmul(invFi_current,math_I3 - dt*Liguess)
Fi_new = math_inv33(invFi_new)
jacoCounterLp = 0
steplengthLp = 1.0_pReal
residuumLp_old = 0.0_pReal
Lpguess_old = Lpguess
NiterationStressLp = 0
LpLoop: do
NiterationStressLp = NiterationStressLp + 1
if (NiterationStressLp>num%nStress) return ! error
B = math_I3 - dt*Lpguess
Fe = matmul(matmul(A,B), invFi_new)
call constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
Fe, Fi_new, ipc, ip, el)
call constitutive_plastic_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
S, Fi_new, ipc, ip, el)
!* update current residuum and check for convergence of loop
atol_Lp = max(num%rtol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
num%atol_crystalliteStress) ! minimum lower cutoff
residuumLp = Lpguess - Lp_constitutive
if (any(IEEE_is_NaN(residuumLp))) then
return ! error
elseif (norm2(residuumLp) < atol_Lp) then ! converged if below absolute tolerance
exit LpLoop
elseif (NiterationStressLp == 1 .or. norm2(residuumLp) < norm2(residuumLp_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
residuumLp_old = residuumLp ! ...remember old values and...
Lpguess_old = Lpguess
steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved...
steplengthLp = num%subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
Lpguess = Lpguess_old &
+ deltaLp * stepLengthLp
cycle LpLoop
endif
calculateJacobiLi: if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
jacoCounterLp = jacoCounterLp + 1
do o=1,3; do p=1,3
dFe_dLp(o,1:3,p,1:3) = - dt * A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
enddo; enddo
dRLp_dLp = math_eye(9) &
- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
temp_9 = math_33to9(residuumLp)
call dgesv(9,1,dRLp_dLp,9,devNull_9,temp_9,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
if (ierr /= 0) return ! error
deltaLp = - math_9to33(temp_9)
endif calculateJacobiLi
Lpguess = Lpguess &
+ deltaLp * steplengthLp
enddo LpLoop
call constitutive_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
S, Fi_new, ipc, ip, el)
!* update current residuum and check for convergence of loop
atol_Li = max(num%rtol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
num%atol_crystalliteStress) ! minimum lower cutoff
residuumLi = Liguess - Li_constitutive
if (any(IEEE_is_NaN(residuumLi))) then
return ! error
elseif (norm2(residuumLi) < atol_Li) then ! converged if below absolute tolerance
exit LiLoop
elseif (NiterationStressLi == 1 .or. norm2(residuumLi) < norm2(residuumLi_old)) then ! not converged, but improved norm of residuum (always proceed in first iteration)...
residuumLi_old = residuumLi ! ...remember old values and...
Liguess_old = Liguess
steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
else ! not converged and residuum not improved...
steplengthLi = num%subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
Liguess = Liguess_old &
+ deltaLi * steplengthLi
cycle LiLoop
endif
calculateJacobiLp: if (mod(jacoCounterLi, num%iJacoLpresiduum) == 0) then
jacoCounterLi = jacoCounterLi + 1
temp_33 = matmul(matmul(A,B),invFi_current)
do o=1,3; do p=1,3
dFe_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*temp_33 ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
dFi_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*invFi_current
enddo; enddo
do o=1,3; do p=1,3
dFi_dLi(1:3,1:3,o,p) = matmul(matmul(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
enddo; enddo
dRLi_dLi = math_eye(9) &
- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) &
+ math_mul3333xx3333(dS_dFi, dFi_dLi))) &
- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
temp_9 = math_33to9(residuumLi)
call dgesv(9,1,dRLi_dLi,9,devNull_9,temp_9,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
if (ierr /= 0) return ! error
deltaLi = - math_9to33(temp_9)
endif calculateJacobiLp
Liguess = Liguess &
+ deltaLi * steplengthLi
enddo LiLoop
invFp_new = matmul(invFp_current,B)
call math_invert33(Fp_new,devNull,error,invFp_new)
if (error) return ! error
p = material_phaseAt(ipc,el)
m = material_phaseMemberAt(ipc,ip,el)
crystallite_P (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
crystallite_S (1:3,1:3,ipc,ip,el) = S
crystallite_Lp (1:3,1:3,ipc,ip,el) = Lpguess
constitutive_mech_Li(p)%data(1:3,1:3,m) = Liguess
crystallite_Fp (1:3,1:3,ipc,ip,el) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
constitutive_mech_Fi(p)%data(1:3,1:3,m) = Fi_new
crystallite_Fe (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),invFi_new)
broken = .false.
end function integrateStress
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize
!--------------------------------------------------------------------------------------------------
fixes for ifort
2020-12-21 19:21:55 +05:30
module subroutine integrateStateFPI(g,i,e)
only relevant for mechanics
2020-12-21 15:27:18 +05:30
integer, intent(in) :: &
e, & !< element index in element loop
i, & !< integration point index in ip loop
g !< grain index in grain loop
integer :: &
NiterationState, & !< number of iterations in state loop
p, &
c, &
s, &
size_pl
integer, dimension(maxval(phase_Nsources)) :: &
size_so
real(pReal) :: &
zeta
real(pReal), dimension(max(constitutive_plasticity_maxSizeDotState,constitutive_source_maxSizeDotState)) :: &
r ! state residuum
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: &
plastic_dotState
real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
logical :: &
broken
p = material_phaseAt(g,e)
c = material_phaseMemberAt(g,i,e)
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e), g,i,e,p,c)
if(broken) return
size_pl = plasticState(p)%sizeDotState
plasticState(p)%state(1:size_pl,c) = plasticState(p)%subState0(1:size_pl,c) &
+ plasticState(p)%dotState (1:size_pl,c) &
* crystallite_subdt(g,i,e)
plastic_dotState(1:size_pl,2) = 0.0_pReal
iteration: do NiterationState = 1, num%nState
if(nIterationState > 1) plastic_dotState(1:size_pl,2) = plastic_dotState(1:size_pl,1)
plastic_dotState(1:size_pl,1) = plasticState(p)%dotState(:,c)
broken = integrateStress(g,i,e)
if(broken) exit iteration
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e), g,i,e,p,c)
if(broken) exit iteration
zeta = damper(plasticState(p)%dotState(:,c),plastic_dotState(1:size_pl,1),&
plastic_dotState(1:size_pl,2))
plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) * zeta &
+ plastic_dotState(1:size_pl,1) * (1.0_pReal - zeta)
r(1:size_pl) = plasticState(p)%state (1:size_pl,c) &
- plasticState(p)%subState0(1:size_pl,c) &
- plasticState(p)%dotState (1:size_pl,c) * crystallite_subdt(g,i,e)
plasticState(p)%state(1:size_pl,c) = plasticState(p)%state(1:size_pl,c) &
- r(1:size_pl)
crystallite_converged(g,i,e) = converged(r(1:size_pl), &
plasticState(p)%state(1:size_pl,c), &
plasticState(p)%atol(1:size_pl))
if(crystallite_converged(g,i,e)) then
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
constitutive_mech_Fi(p)%data(1:3,1:3,c),g,i,e,p,c)
exit iteration
endif
enddo iteration
contains
!--------------------------------------------------------------------------------------------------
!> @brief calculate the damping for correction of state and dot state
!--------------------------------------------------------------------------------------------------
real(pReal) pure function damper(current,previous,previous2)
real(pReal), dimension(:), intent(in) ::&
current, previous, previous2
real(pReal) :: dot_prod12, dot_prod22
dot_prod12 = dot_product(current - previous, previous - previous2)
dot_prod22 = dot_product(previous - previous2, previous - previous2)
if ((dot_product(current,previous) < 0.0_pReal .or. dot_prod12 < 0.0_pReal) .and. dot_prod22 > 0.0_pReal) then
damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
else
damper = 1.0_pReal
endif
end function damper
end subroutine integrateStateFPI
!--------------------------------------------------------------------------------------------------
!> @brief integrate state with 1st order explicit Euler method
!--------------------------------------------------------------------------------------------------
fixes for ifort
2020-12-21 19:21:55 +05:30
module subroutine integrateStateEuler(g,i,e)
only relevant for mechanics
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integer, intent(in) :: &
e, & !< element index in element loop
i, & !< integration point index in ip loop
g !< grain index in grain loop
integer :: &
p, &
c, &
sizeDotState
logical :: &
broken
p = material_phaseAt(g,e)
c = material_phaseMemberAt(g,i,e)
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e), g,i,e,p,c)
if(broken) return
sizeDotState = plasticState(p)%sizeDotState
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
+ plasticState(p)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
constitutive_mech_Fi(p)%data(1:3,1:3,c),g,i,e,p,c)
if(broken) return
broken = integrateStress(g,i,e)
crystallite_converged(g,i,e) = .not. broken
end subroutine integrateStateEuler
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with 1st order Euler method with adaptive step size
!--------------------------------------------------------------------------------------------------
fixes for ifort
2020-12-21 19:21:55 +05:30
module subroutine integrateStateAdaptiveEuler(g,i,e)
only relevant for mechanics
2020-12-21 15:27:18 +05:30
integer, intent(in) :: &
e, & !< element index in element loop
i, & !< integration point index in ip loop
g !< grain index in grain loop
integer :: &
p, &
c, &
sizeDotState
logical :: &
broken
real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: residuum_plastic
p = material_phaseAt(g,e)
c = material_phaseMemberAt(g,i,e)
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e), g,i,e,p,c)
if(broken) return
sizeDotState = plasticState(p)%sizeDotState
residuum_plastic(1:sizeDotState) = - plasticState(p)%dotstate(1:sizeDotState,c) * 0.5_pReal * crystallite_subdt(g,i,e)
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
+ plasticState(p)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e)
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
constitutive_mech_Fi(p)%data(1:3,1:3,c),g,i,e,p,c)
if(broken) return
broken = integrateStress(g,i,e)
if(broken) return
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e), g,i,e,p,c)
if(broken) return
sizeDotState = plasticState(p)%sizeDotState
crystallite_converged(g,i,e) = converged(residuum_plastic(1:sizeDotState) &
+ 0.5_pReal * plasticState(p)%dotState(:,c) * crystallite_subdt(g,i,e), &
plasticState(p)%state(1:sizeDotState,c), &
plasticState(p)%atol(1:sizeDotState))
end subroutine integrateStateAdaptiveEuler
!---------------------------------------------------------------------------------------------------
!> @brief Integrate state (including stress integration) with the classic Runge Kutta method
!---------------------------------------------------------------------------------------------------
fixes for ifort
2020-12-21 19:21:55 +05:30
module subroutine integrateStateRK4(g,i,e)
only relevant for mechanics
2020-12-21 15:27:18 +05:30
integer, intent(in) :: g,i,e
real(pReal), dimension(3,3), parameter :: &
A = reshape([&
0.5_pReal, 0.0_pReal, 0.0_pReal, &
0.0_pReal, 0.5_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 1.0_pReal],&
shape(A))
real(pReal), dimension(3), parameter :: &
C = [0.5_pReal, 0.5_pReal, 1.0_pReal]
real(pReal), dimension(4), parameter :: &
B = [1.0_pReal/6.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/6.0_pReal]
call integrateStateRK(g,i,e,A,B,C)
end subroutine integrateStateRK4
!---------------------------------------------------------------------------------------------------
!> @brief Integrate state (including stress integration) with the Cash-Carp method
!---------------------------------------------------------------------------------------------------
fixes for ifort
2020-12-21 19:21:55 +05:30
module subroutine integrateStateRKCK45(g,i,e)
only relevant for mechanics
2020-12-21 15:27:18 +05:30
integer, intent(in) :: g,i,e
real(pReal), dimension(5,5), parameter :: &
A = reshape([&
1._pReal/5._pReal, .0_pReal, .0_pReal, .0_pReal, .0_pReal, &
3._pReal/40._pReal, 9._pReal/40._pReal, .0_pReal, .0_pReal, .0_pReal, &
3_pReal/10._pReal, -9._pReal/10._pReal, 6._pReal/5._pReal, .0_pReal, .0_pReal, &
-11._pReal/54._pReal, 5._pReal/2._pReal, -70.0_pReal/27.0_pReal, 35.0_pReal/27.0_pReal, .0_pReal, &
1631._pReal/55296._pReal,175._pReal/512._pReal,575._pReal/13824._pReal,44275._pReal/110592._pReal,253._pReal/4096._pReal],&
shape(A))
real(pReal), dimension(5), parameter :: &
C = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal]
real(pReal), dimension(6), parameter :: &
B = &
[37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, &
125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], &
DB = B - &
[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 1._pReal/4._pReal]
call integrateStateRK(g,i,e,A,B,C,DB)
end subroutine integrateStateRKCK45
!--------------------------------------------------------------------------------------------------
!> @brief Integrate state (including stress integration) with an explicit Runge-Kutta method or an
!! embedded explicit Runge-Kutta method
!--------------------------------------------------------------------------------------------------
subroutine integrateStateRK(g,i,e,A,B,CC,DB)
real(pReal), dimension(:,:), intent(in) :: A
real(pReal), dimension(:), intent(in) :: B, CC
real(pReal), dimension(:), intent(in), optional :: DB
integer, intent(in) :: &
e, & !< element index in element loop
i, & !< integration point index in ip loop
g !< grain index in grain loop
integer :: &
stage, & ! stage index in integration stage loop
n, &
p, &
c, &
sizeDotState
logical :: &
broken
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,size(B)) :: plastic_RKdotState
p = material_phaseAt(g,e)
c = material_phaseMemberAt(g,i,e)
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e), g,i,e,p,c)
if(broken) return
do stage = 1,size(A,1)
sizeDotState = plasticState(p)%sizeDotState
plastic_RKdotState(1:sizeDotState,stage) = plasticState(p)%dotState(:,c)
plasticState(p)%dotState(:,c) = A(1,stage) * plastic_RKdotState(1:sizeDotState,1)
do n = 2, stage
sizeDotState = plasticState(p)%sizeDotState
plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) &
+ A(n,stage) * plastic_RKdotState(1:sizeDotState,n)
enddo
sizeDotState = plasticState(p)%sizeDotState
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
+ plasticState(p)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
broken = integrateStress(g,i,e,CC(stage))
if(broken) exit
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
crystallite_partitionedF0, &
constitutive_mech_Fi(p)%data(1:3,1:3,c), &
crystallite_partitionedFp0, &
crystallite_subdt(g,i,e)*CC(stage), g,i,e,p,c)
if(broken) exit
enddo
if(broken) return
sizeDotState = plasticState(p)%sizeDotState
plastic_RKdotState(1:sizeDotState,size(B)) = plasticState (p)%dotState(:,c)
plasticState(p)%dotState(:,c) = matmul(plastic_RKdotState(1:sizeDotState,1:size(B)),B)
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
+ plasticState(p)%dotState (1:sizeDotState,c) &
* crystallite_subdt(g,i,e)
if(present(DB)) &
broken = .not. converged( matmul(plastic_RKdotState(1:sizeDotState,1:size(DB)),DB) &
* crystallite_subdt(g,i,e), &
plasticState(p)%state(1:sizeDotState,c), &
plasticState(p)%atol(1:sizeDotState))
if(broken) return
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
constitutive_mech_Fi(p)%data(1:3,1:3,c),g,i,e,p,c)
if(broken) return
broken = integrateStress(g,i,e)
crystallite_converged(g,i,e) = .not. broken
end subroutine integrateStateRK
WIP: compatible with new names
2020-11-03 05:19:17 +05:30
end submodule constitutive_mech
sources and kinematics modules under submodules
2020-07-09 04:31:08 +05:30