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separting thermal and damage sources

This commit is contained in:
Martin Diehl 2021-02-13 18:41:30 +01:00
parent 72c099dbbe
commit 22a0aff488
10 changed files with 129 additions and 123 deletions
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18
src/phase.f90
View File

@ -58,12 +58,9 @@ module phase
type(tDebugOptions) :: debugCrystallite
integer, dimension(:), allocatable, public :: & !< ToDo: should be protected (bug in Intel compiler)
thermal_Nsources, &
phase_Nsources, & !< number of source mechanisms active in each phase
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
phase_elasticityInstance, &
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
phase_plasticInstance, & !< instance of particular plasticity of each phase
phase_elasticityInstance !< instance of particular elasticity of each phase
phase_plasticInstance
logical, dimension(:), allocatable, public :: & ! ToDo: should be protected (bug in Intel Compiler)
phase_localPlasticity !< flags phases with local constitutive law
@ -351,7 +348,7 @@ subroutine phase_init
!--------------------------------------------------------------------------------------------------
! partition and initialize state
plasticState(ph)%state = plasticState(ph)%state0
if(phase_Nsources(ph) > 0) &
if(damageState(ph)%sizeState > 0) &
damageState(ph)%state = damageState(ph)%state0
enddo PhaseLoop2
@ -406,7 +403,7 @@ subroutine phase_restore(ce,includeL)
do co = 1,homogenization_Nconstituents(material_homogenizationAt2(ce))
if (phase_Nsources(material_phaseAt2(co,ce)) > 0) &
if (damageState(material_phaseAt2(co,ce))%sizeState > 0) &
damageState(material_phaseAt2(co,ce))%state( :,material_phasememberAt2(co,ce)) = &
damageState(material_phaseAt2(co,ce))%state0(:,material_phasememberAt2(co,ce))
enddo
@ -429,7 +426,7 @@ subroutine phase_forward()
call thermal_forward()
do ph = 1, size(damageState)
if (phase_Nsources(ph) > 0) &
if (damageState(ph)%sizeState > 0) &
damageState(ph)%state0 = damageState(ph)%state
enddo
@ -527,7 +524,7 @@ subroutine crystallite_init()
phases => config_material%get('phase')
do ph = 1, phases%length
if (phase_Nsources(ph) > 0) &
if (damageState(ph)%sizeState > 0) &
allocate(damageState(ph)%subState0,source=damageState(ph)%state0) ! ToDo: hack
enddo
@ -574,8 +571,7 @@ subroutine phase_windForward(ip,el)
call mechanical_windForward(ph,me)
if (phase_Nsources(ph) > 0) &
damageState(ph)%state0(:,me) = damageState(ph)%state(:,me)
if(damageState(ph)%sizeState > 0) damageState(ph)%state0(:,me) = damageState(ph)%state(:,me)
enddo

16
src/phase_damage.f90
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@ -18,6 +18,9 @@ submodule(phase) damagee
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_source !< active sources mechanisms of each phase
integer, dimension(:), allocatable :: &
phase_Nsources
type(tDataContainer), dimension(:), allocatable :: current
interface
@ -156,6 +159,7 @@ module subroutine damage_init
phase => phases%get(ph)
sources => phase%get('damage',defaultVal=emptyList)
if (sources%length > 1) error stop
phase_Nsources(ph) = sources%length
enddo
@ -192,7 +196,6 @@ module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi,
integer :: &
ph, &
co, &
so, &
me
phiDot = 0.0_pReal
@ -201,7 +204,7 @@ module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi,
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
do so = 1, phase_Nsources(ph)
select case(phase_source(ph))
case (DAMAGE_ISOBRITTLE_ID)
call isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
@ -223,7 +226,6 @@ module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi,
phiDot = phiDot + localphiDot
dPhiDot_dPhi = dPhiDot_dPhi + dLocalphiDot_dPhi
enddo
enddo
end subroutine phase_damage_getRateAndItsTangents
@ -258,7 +260,7 @@ module function integrateDamageState(dt,co,ip,el) result(broken)
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
if (phase_Nsources(ph) == 0) then
if (damageState(ph)%sizeState == 0) then
broken = .false.
return
endif
@ -377,7 +379,7 @@ function phase_damage_collectDotState(ph,me) result(broken)
broken = .false.
if (phase_Nsources(ph)==1) then
if (damageState(ph)%sizeState > 0) then
sourceType: select case (phase_source(ph))
@ -420,7 +422,7 @@ function phase_damage_deltaState(Fe, ph, me) result(broken)
broken = .false.
if (phase_Nsources(ph) == 0) return
if (damageState(ph)%sizeState == 0) return
sourceType: select case (phase_source(ph))
@ -461,7 +463,7 @@ function source_active(source_label) result(active_source)
phase => phases%get(ph)
sources => phase%get('damage',defaultVal=emptyList)
src => sources%get(1)
active_source(ph) = src%get_asString('type') == source_label
active_source(ph) = src%get_asString('type',defaultVal = 'x') == source_label
enddo

9
src/phase_mechanical.f90
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@ -3,6 +3,7 @@
!----------------------------------------------------------------------------------------------------
submodule(phase) mechanics
enum, bind(c); enumerator :: &
ELASTICITY_UNDEFINED_ID, &
ELASTICITY_HOOKE_ID, &
@ -22,8 +23,6 @@ submodule(phase) mechanics
KINEMATICS_THERMAL_EXPANSION_ID
end enum
integer(kind(KINEMATICS_UNDEFINED_ID)), dimension(:,:), allocatable :: &
phase_kinematics
integer(kind(ELASTICITY_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_elasticity !< elasticity of each phase
integer(kind(STIFFNESS_DEGRADATION_UNDEFINED_ID)), dimension(:,:), allocatable :: &
@ -1159,7 +1158,7 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,me)
subState0 = plasticState(ph)%State0(:,me)
if (phase_Nsources(ph) > 0) &
if (damageState(ph)%sizeState > 0) &
damageState(ph)%subState0(:,me) = damageState(ph)%state0(:,me)
subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
@ -1187,7 +1186,7 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
subFp0 = phase_mechanical_Fp(ph)%data(1:3,1:3,me)
subFi0 = phase_mechanical_Fi(ph)%data(1:3,1:3,me)
subState0 = plasticState(ph)%state(:,me)
if (phase_Nsources(ph) > 0) &
if (damageState(ph)%sizeState > 0) &
damageState(ph)%subState0(:,me) = damageState(ph)%state(:,me)
endif
@ -1203,7 +1202,7 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
phase_mechanical_Li(ph)%data(1:3,1:3,me) = subLi0
endif
plasticState(ph)%state(:,me) = subState0
if (phase_Nsources(ph) > 0) &
if (damageState(ph)%sizeState > 0) &
damageState(ph)%state(:,me) = damageState(ph)%subState0(:,me)
todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)

98
src/phase_mechanical_eigen.f90
View File

@ -1,20 +1,26 @@
submodule(phase:mechanics) eigendeformation
integer, dimension(:), allocatable :: &
Nmodels
integer(kind(KINEMATICS_UNDEFINED_ID)), dimension(:,:), allocatable :: &
model
integer(kind(KINEMATICS_UNDEFINED_ID)), dimension(:), allocatable :: &
model_damage
interface
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
module function kinematics_cleavage_opening_init() result(myKinematics)
logical, dimension(:), allocatable :: myKinematics
end function kinematics_cleavage_opening_init
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
module function kinematics_slipplane_opening_init() result(myKinematics)
logical, dimension(:), allocatable :: myKinematics
end function kinematics_slipplane_opening_init
module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
module function thermalexpansion_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_thermal_expansion_init
end function thermalexpansion_init
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
integer, intent(in) :: ph, me
@ -65,28 +71,27 @@ module subroutine eigendeformation_init(phases)
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation init -+>>>'
!--------------------------------------------------------------------------------------------------
! initialize kinematic mechanisms
allocate(phase_Nkinematics(phases%length),source = 0)
! explicit eigen mechanisms
allocate(Nmodels(phases%length),source = 0)
do ph = 1,phases%length
phase => phases%get(ph)
kinematics => phase%get('kinematics',defaultVal=emptyList)
phase_Nkinematics(ph) = kinematics%length
kinematics => phase%get('damage',defaultVal=emptyList)
if(kinematics%length >0) then
damage => kinematics%get(1)
if(damage%get_asString('type',defaultVal='n/a') == 'anisobrittle') phase_Nkinematics(ph) = phase_Nkinematics(ph) +1
if(damage%get_asString('type',defaultVal='n/a') == 'isoductile' ) phase_Nkinematics(ph) = phase_Nkinematics(ph) +1
endif
Nmodels(ph) = kinematics%length
enddo
allocate(phase_kinematics(maxval(phase_Nkinematics),phases%length), source = KINEMATICS_undefined_ID)
allocate(model(maxval(Nmodels),phases%length), source = KINEMATICS_undefined_ID)
if(maxval(phase_Nkinematics) /= 0) then
where(kinematics_cleavage_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_cleavage_opening_ID
where(kinematics_slipplane_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_slipplane_opening_ID
where(kinematics_thermal_expansion_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_thermal_expansion_ID
if(maxval(Nmodels) /= 0) then
where(thermalexpansion_init(maxval(Nmodels))) model = KINEMATICS_thermal_expansion_ID
endif
allocate(model_damage(phases%length), source = KINEMATICS_UNDEFINED_ID)
where(kinematics_cleavage_opening_init()) model_damage = KINEMATICS_cleavage_opening_ID
where(kinematics_slipplane_opening_init()) model_damage = KINEMATICS_slipplane_opening_ID
end subroutine eigendeformation_init
@ -125,11 +130,10 @@ end function kinematics_active
!--------------------------------------------------------------------------------------------------
!> @brief checks if a kinematic mechanism is active or not
!--------------------------------------------------------------------------------------------------
function kinematics_active2(kinematics_label,kinematics_length) result(active_kinematics)
function kinematics_active2(kinematics_label) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
integer, intent(in) :: kinematics_length !< max. number of kinematics in system
logical, dimension(:,:), allocatable :: active_kinematics
logical, dimension(:), allocatable :: active_kinematics
class(tNode), pointer :: &
phases, &
@ -139,13 +143,14 @@ function kinematics_active2(kinematics_label,kinematics_length) result(active_k
integer :: p
phases => config_material%get('phase')
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
allocate(active_kinematics(phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
kinematics => phase%get('damage',defaultVal=emptyList)
if(kinematics%length < 1) return
kinematics_type => kinematics%get(1)
if (.not. kinematics_type%contains('type')) continue
active_kinematics(1,p) = kinematics_type%get_asString('type',defaultVal='n/a') == kinematics_label
active_kinematics(p) = kinematics_type%get_asString('type',defaultVal='n/a') == kinematics_label
enddo
@ -181,7 +186,9 @@ module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
detFi
integer :: &
k, i, j
logical :: active
active = .false.
Li = 0.0_pReal
dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal
@ -190,30 +197,37 @@ module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_isotropic_ID) plasticType
call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,phase_plasticInstance(ph),me)
case default plasticType
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
end select plasticType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1, phase_Nkinematics(ph)
kinematicsType: select case (phase_kinematics(k,ph))
case (KINEMATICS_cleavage_opening_ID) kinematicsType
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
case (KINEMATICS_slipplane_opening_ID) kinematicsType
call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
KinematicsLoop: do k = 1, Nmodels(ph)
kinematicsType: select case (model(k,ph))
case (KINEMATICS_thermal_expansion_ID) kinematicsType
call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
case default kinematicsType
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
end select kinematicsType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
end select kinematicsType
enddo KinematicsLoop
select case (model_damage(ph))
case (KINEMATICS_cleavage_opening_ID)
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
case (KINEMATICS_slipplane_opening_ID)
call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
end select
if(.not. active) return
FiInv = math_inv33(Fi)
detFi = math_det33(Fi)
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration

26
src/phase_mechanical_eigen_cleavageopening.f90
View File

@ -28,12 +28,11 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
module function kinematics_cleavage_opening_init() result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
logical, dimension(:), allocatable :: myKinematics
integer :: Ninstances,p,k
integer :: p
integer, dimension(:), allocatable :: N_cl !< active number of cleavage systems per family
character(len=pStringLen) :: extmsg = ''
class(tNode), pointer :: &
@ -42,24 +41,24 @@ module function kinematics_cleavage_opening_init(kinematics_length) result(myKin
kinematics, &
kinematic_type
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:cleavageopening init -+>>>'
myKinematics = kinematics_active2('anisobrittle',kinematics_length)
Ninstances = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
myKinematics = kinematics_active2('anisobrittle')
if(count(myKinematics) == 0) return
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:cleavageopening init -+>>>'
print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(param(phases%length))
do p = 1, phases%length
if(myKinematics(p)) then
phase => phases%get(p)
if(count(myKinematics(:,p)) == 0) cycle
kinematics => phase%get('damage')
do k = 1, kinematics%length
if(myKinematics(k,p)) then
associate(prm => param(p))
kinematic_type => kinematics%get(k)
kinematic_type => kinematics%get(1)
N_cl = kinematic_type%get_asInts('N_cl')
prm%sum_N_cl = sum(abs(N_cl))
@ -86,7 +85,6 @@ module function kinematics_cleavage_opening_init(kinematics_length) result(myKin
end associate
endif
enddo
enddo
end function kinematics_cleavage_opening_init

26
src/phase_mechanical_eigen_slipplaneopening.f90
View File

@ -32,12 +32,11 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
module function kinematics_slipplane_opening_init() result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
logical, dimension(:), allocatable :: myKinematics
integer :: Ninstances,p,i,k
integer :: p,i
character(len=pStringLen) :: extmsg = ''
integer, dimension(:), allocatable :: N_sl
real(pReal), dimension(:,:), allocatable :: d,n,t
@ -49,26 +48,26 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
kinematics, &
kinematic_type
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:slipplaneopening init -+>>>'
myKinematics = kinematics_active2('isoductile',kinematics_length)
Ninstances = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
myKinematics = kinematics_active2('isoductile')
if(count(myKinematics) == 0) return
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:slipplaneopening init -+>>>'
print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(param(phases%length))
do p = 1, phases%length
if(myKinematics(p)) then
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
if(count(myKinematics(:,p)) == 0) cycle
kinematics => phase%get('damage')
do k = 1, kinematics%length
if(myKinematics(k,p)) then
associate(prm => param(p))
kinematic_type => kinematics%get(k)
kinematic_type => kinematics%get(1)
prm%dot_o = kinematic_type%get_asFloat('dot_o')
prm%q = kinematic_type%get_asFloat('q')
@ -106,7 +105,6 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
end associate
endif
enddo
enddo
end function kinematics_slipplane_opening_init

4
src/phase_mechanical_eigen_thermalexpansion.f90
View File

@ -23,7 +23,7 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
module function thermalexpansion_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
@ -77,7 +77,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
enddo
end function kinematics_thermal_expansion_init
end function thermalexpansion_init
!--------------------------------------------------------------------------------------------------

5
src/phase_thermal.f90
View File

@ -3,6 +3,9 @@
!----------------------------------------------------------------------------------------------------
submodule(phase) thermal
integer, dimension(:), allocatable :: &
thermal_Nsources
type(tSourceState), allocatable, dimension(:) :: &
thermalState
@ -36,8 +39,6 @@ submodule(phase) thermal
end function externalheat_init
module subroutine externalheat_dotState(ph, me)
integer, intent(in) :: &
ph, &

9
src/phase_thermal_dissipation.f90
View File

@ -31,15 +31,14 @@ module function dissipation_init(source_length) result(mySources)
phase, &
sources, thermal, &
src
integer :: Ninstances,so,Nconstituents,ph
integer :: so,Nconstituents,ph
print'(/,a)', ' <<<+- phase:thermal:dissipation init -+>>>'
mySources = thermal_active('dissipation',source_length)
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:thermal:dissipation init -+>>>'
print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
phases => config_material%get('phase')
allocate(param(phases%length))

9
src/phase_thermal_externalheat.f90
View File

@ -38,15 +38,14 @@ module function externalheat_init(source_length) result(mySources)
phase, &
sources, thermal, &
src
integer :: Ninstances,so,Nconstituents,ph
integer :: so,Nconstituents,ph
print'(/,a)', ' <<<+- phase:thermal:externalheat init -+>>>'
mySources = thermal_active('externalheat',source_length)
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:thermal:externalheat init -+>>>'
print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
phases => config_material%get('phase')
allocate(param(phases%length))