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DAMASK_EICMD
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no need for outputID 

just adds overhead, one string comparison per output and increment is
computationally not an issue

also unified to PEP recommendation of function description
This commit is contained in:
Martin Diehl 2020-02-14 07:17:30 +01:00
parent 6adb116712
commit 486385978c
3 changed files with 264 additions and 393 deletions
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61
src/constitutive_plastic_isotropic.f90
View File

@ -9,13 +9,6 @@
!--------------------------------------------------------------------------------------------------
submodule(constitutive) plastic_isotropic
enum, bind(c)
enumerator :: &
undefined_ID, &
xi_ID, &
dot_gamma_ID
end enum
type :: tParameters
real(pReal) :: &
M, & !< Taylor factor
@ -34,10 +27,10 @@ submodule(constitutive) plastic_isotropic
aTol_gamma
integer :: &
of_debug = 0
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID
logical :: &
dilatation
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type :: tIsotropicState
@ -56,29 +49,24 @@ submodule(constitutive) plastic_isotropic
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_init
integer :: &
Ninstance, &
p, i, &
p, &
NipcMyPhase, &
sizeState, sizeDotState
integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_ISOTROPIC_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_ISOTROPIC_label//' init -+>>>'; flush(6)
write(6,'(/,a)') ' Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
write(6,'(a)') ' https://doi.org/10.1016/j.scriptamat.2017.09.047'
write(6,'(/,a)') ' Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
write(6,'(a)') ' https://doi.org/10.1016/j.scriptamat.2017.09.047'
Ninstance = count(phase_plasticity == PLASTICITY_ISOTROPIC_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
@ -136,24 +124,7 @@ module subroutine plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('flowstress')
outputID = xi_ID
case ('strainrate')
outputID = dot_gamma_ID
end select
if (outputID /= undefined_ID) then
prm%outputID = [prm%outputID, outputID]
endif
enddo
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
@ -186,7 +157,7 @@ end subroutine plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
@ -247,7 +218,7 @@ end subroutine plastic_isotropic_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!> @brief Calculate inelastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
@ -299,7 +270,7 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_dotState(Mp,instance,of)
@ -348,19 +319,19 @@ end subroutine plastic_isotropic_dotState
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance
integer, intent(in) :: instance
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (xi_ID)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('flowstress') ! ToDo: should be 'xi'
call results_writeDataset(group,stt%xi,'xi','resistance against plastic flow','Pa')
end select
enddo outputsLoop

123
src/constitutive_plastic_kinehardening.f90
View File

@ -7,26 +7,13 @@
!--------------------------------------------------------------------------------------------------
submodule(constitutive) plastic_kinehardening
enum, bind(c)
enumerator :: &
undefined_ID, &
crss_ID, & !< critical resolved stress
crss_back_ID, & !< critical resolved back stress
sense_ID, & !< sense of acting shear stress (-1 or +1)
chi0_ID, & !< backstress at last switch of stress sense (positive?)
gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?)
accshear_ID, &
shearrate_ID, &
resolvedstress_ID
end enum
type :: tParameters
real(pReal) :: &
gdot0, & !< reference shear strain rate for slip
n, & !< stress exponent for slip
aTolResistance, &
aTolShear
real(pReal), allocatable, dimension(:) :: &
real(pReal), allocatable, dimension(:) :: &
crss0, & !< initial critical shear stress for slip
theta0, & !< initial hardening rate of forward stress for each slip
theta1, & !< asymptotic hardening rate of forward stress for each slip
@ -35,19 +22,19 @@ submodule(constitutive) plastic_kinehardening
tau1, &
tau1_b, &
nonSchmidCoeff
real(pReal), allocatable, dimension(:,:) :: &
real(pReal), allocatable, dimension(:,:) :: &
interaction_slipslip !< slip resistance from slip activity
real(pReal), allocatable, dimension(:,:,:) :: &
real(pReal), allocatable, dimension(:,:,:) :: &
Schmid, &
nonSchmid_pos, &
nonSchmid_neg
integer :: &
totalNslip, & !< total number of active slip system
of_debug = 0
integer, allocatable, dimension(:) :: &
integer, allocatable, dimension(:) :: &
Nslip !< number of active slip systems for each family
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID !< ID of each post result output
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type :: tKinehardeningState
@ -72,27 +59,22 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_init
integer :: &
Ninstance, &
p, i, o, &
p, o, &
NipcMyPhase, &
sizeState, sizeDeltaState, sizeDotState, &
startIndex, endIndex
integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_KINEHARDENING_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_KINEHARDENING_label//' init -+>>>'; flush(6)
Ninstance = count(phase_plasticity == PLASTICITY_KINEHARDENING_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
@ -113,7 +95,7 @@ module subroutine plastic_kinehardening_init
#ifdef DEBUG
if (p==material_phaseAt(debug_g,debug_e)) then
prm%of_debug = material_phasememberAt(debug_g,debug_i,debug_e)
prm%of_debug = material_phasememberAt(debug_g,debug_i,debug_e)
endif
#endif
@ -155,8 +137,8 @@ module subroutine plastic_kinehardening_init
prm%theta0_b = config%getFloats('theta0_b', requiredSize=size(prm%Nslip))
prm%theta1_b = config%getFloats('theta1_b', requiredSize=size(prm%Nslip))
prm%gdot0 = config%getFloat('gdot0')
prm%n = config%getFloat('n_slip')
prm%gdot0 = config%getFloat('gdot0')
prm%n = config%getFloat('n_slip')
! expand: family => system
prm%crss0 = math_expand(prm%crss0, prm%Nslip)
@ -188,36 +170,7 @@ module subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('resistance')
outputID = merge(crss_ID,undefined_ID,prm%totalNslip>0)
case ('accumulatedshear')
outputID = merge(accshear_ID,undefined_ID,prm%totalNslip>0)
case ('shearrate')
outputID = merge(shearrate_ID,undefined_ID,prm%totalNslip>0)
case ('resolvedstress')
outputID = merge(resolvedstress_ID,undefined_ID,prm%totalNslip>0)
case ('backstress')
outputID = merge(crss_back_ID,undefined_ID,prm%totalNslip>0)
case ('sense')
outputID = merge(sense_ID,undefined_ID,prm%totalNslip>0)
case ('chi0')
outputID = merge(chi0_ID,undefined_ID,prm%totalNslip>0)
case ('gamma0')
outputID = merge(gamma0_ID,undefined_ID,prm%totalNslip>0)
end select
if (outputID /= undefined_ID) then
prm%outputID = [prm%outputID , outputID]
endif
enddo
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
@ -277,7 +230,7 @@ end subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
pure module subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
@ -319,7 +272,7 @@ end subroutine plastic_kinehardening_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_dotState(Mp,instance,of)
@ -361,7 +314,7 @@ end subroutine plastic_kinehardening_dotState
!--------------------------------------------------------------------------------------------------
!> @brief calculates (instantaneous) incremental change of microstructure
!> @brief Calculate (instantaneous) incremental change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
@ -409,37 +362,38 @@ end subroutine plastic_kinehardening_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (crss_ID)
call results_writeDataset(group,stt%crss,'xi_sl', &
'resistance against plastic slip','Pa')
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('resistance')
if(prm%totalNslip>0) call results_writeDataset(group,stt%crss,'xi_sl', &
'resistance against plastic slip','Pa')
case(crss_back_ID)
call results_writeDataset(group,stt%crss_back,'tau_back', &
'back stress against plastic slip','Pa')
case('backstress') ! ToDo: should be 'tau_back'
if(prm%totalNslip>0) call results_writeDataset(group,stt%crss_back,'tau_back', &
'back stress against plastic slip','Pa')
case (sense_ID)
call results_writeDataset(group,stt%sense,'sense_of_shear','tbd','1')
case ('sense')
if(prm%totalNslip>0) call results_writeDataset(group,stt%sense,'sense_of_shear','tbd','1')
case (chi0_ID)
call results_writeDataset(group,stt%chi0,'chi0','tbd','Pa')
case ('chi0')
if(prm%totalNslip>0) call results_writeDataset(group,stt%chi0,'chi0','tbd','Pa')
case (gamma0_ID)
call results_writeDataset(group,stt%gamma0,'gamma0','tbd','1')
case ('gamma0')
if(prm%totalNslip>0) call results_writeDataset(group,stt%gamma0,'gamma0','tbd','1')
case (accshear_ID)
call results_writeDataset(group,stt%accshear,'gamma_sl', &
'plastic shear','1')
case ('accumulatedshear')
if(prm%totalNslip>0) call results_writeDataset(group,stt%accshear,'gamma_sl', &
'plastic shear','1')
end select
enddo outputsLoop
@ -449,10 +403,11 @@ end subroutine plastic_kinehardening_results
!--------------------------------------------------------------------------------------------------
!> @brief calculates shear rates on slip systems and derivatives with respect to resolved stress
!> @details: Shear rates are calculated only optionally.
!> @brief Calculate shear rates on slip systems and their derivatives with respect to resolved
! stress.
!> @details: Derivatives are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,instance,of, &
gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)

121
src/constitutive_plastic_phenopowerlaw.f90
View File

@ -6,19 +6,6 @@
!--------------------------------------------------------------------------------------------------
submodule(constitutive) plastic_phenopowerlaw
enum, bind(c)
enumerator :: &
undefined_ID, &
resistance_slip_ID, &
accumulatedshear_slip_ID, &
shearrate_slip_ID, &
resolvedstress_slip_ID, &
resistance_twin_ID, &
accumulatedshear_twin_ID, &
shearrate_twin_ID, &
resolvedstress_twin_ID
end enum
type :: tParameters
real(pReal) :: &
gdot0_slip, & !< reference shear strain rate for slip
@ -37,19 +24,19 @@ submodule(constitutive) plastic_phenopowerlaw
aTolResistance, & !< absolute tolerance for integration of xi
aTolShear, & !< absolute tolerance for integration of gamma
aTolTwinfrac !< absolute tolerance for integration of f
real(pReal), allocatable, dimension(:) :: &
real(pReal), allocatable, dimension(:) :: &
xi_slip_0, & !< initial critical shear stress for slip
xi_twin_0, & !< initial critical shear stress for twin
xi_slip_sat, & !< maximum critical shear stress for slip
nonSchmidCoeff, &
H_int, & !< per family hardening activity (optional)
gamma_twin_char !< characteristic shear for twins
real(pReal), allocatable, dimension(:,:) :: &
real(pReal), allocatable, dimension(:,:) :: &
interaction_SlipSlip, & !< slip resistance from slip activity
interaction_SlipTwin, & !< slip resistance from twin activity
interaction_TwinSlip, & !< twin resistance from slip activity
interaction_TwinTwin !< twin resistance from twin activity
real(pReal), allocatable, dimension(:,:,:) :: &
real(pReal), allocatable, dimension(:,:,:) :: &
Schmid_slip, &
Schmid_twin, &
nonSchmid_pos, &
@ -57,11 +44,11 @@ submodule(constitutive) plastic_phenopowerlaw
integer :: &
totalNslip, & !< total number of active slip system
totalNtwin !< total number of active twin systems
integer, allocatable, dimension(:) :: &
integer, allocatable, dimension(:) :: &
Nslip, & !< number of active slip systems for each family
Ntwin !< number of active twin systems for each family
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID !< ID of each post result output
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type :: tPhenopowerlawState
@ -83,7 +70,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_init
@ -91,19 +78,14 @@ module subroutine plastic_phenopowerlaw_init
integer :: &
Ninstance, &
p, i, &
NipcMyPhase, outputSize, &
NipcMyPhase, &
sizeState, sizeDotState, &
startIndex, endIndex
integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>'; flush(6)
Ninstance = count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
@ -239,45 +221,7 @@ module subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('resistance_slip')
outputID = merge(resistance_slip_ID,undefined_ID,prm%totalNslip>0)
outputSize = prm%totalNslip
case ('accumulatedshear_slip')
outputID = merge(accumulatedshear_slip_ID,undefined_ID,prm%totalNslip>0)
outputSize = prm%totalNslip
case ('shearrate_slip')
outputID = merge(shearrate_slip_ID,undefined_ID,prm%totalNslip>0)
outputSize = prm%totalNslip
case ('resolvedstress_slip')
outputID = merge(resolvedstress_slip_ID,undefined_ID,prm%totalNslip>0)
outputSize = prm%totalNslip
case ('resistance_twin')
outputID = merge(resistance_twin_ID,undefined_ID,prm%totalNtwin>0)
outputSize = prm%totalNtwin
case ('accumulatedshear_twin')
outputID = merge(accumulatedshear_twin_ID,undefined_ID,prm%totalNtwin>0)
outputSize = prm%totalNtwin
case ('shearrate_twin')
outputID = merge(shearrate_twin_ID,undefined_ID,prm%totalNtwin>0)
outputSize = prm%totalNtwin
case ('resolvedstress_twin')
outputID = merge(resolvedstress_twin_ID,undefined_ID,prm%totalNtwin>0)
outputSize = prm%totalNtwin
end select
if (outputID /= undefined_ID) then
prm%outputID = [prm%outputID, outputID]
endif
enddo
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
@ -328,7 +272,7 @@ end subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!> @brief Calculate plastic velocity gradient and its tangent.
!> @details asummes that deformation by dislocation glide affects twinned and untwinned volume
! equally (Taylor assumption). Twinning happens only in untwinned volume
!--------------------------------------------------------------------------------------------------
@ -381,7 +325,7 @@ end subroutine plastic_phenopowerlaw_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
@ -437,7 +381,7 @@ end subroutine plastic_phenopowerlaw_dotState
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_results(instance,group)
@ -447,22 +391,22 @@ module subroutine plastic_phenopowerlaw_results(instance,group)
integer :: o
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case (resistance_slip_ID)
call results_writeDataset(group,stt%xi_slip, 'xi_sl', &
'resistance against plastic slip','Pa')
case (accumulatedshear_slip_ID)
call results_writeDataset(group,stt%gamma_slip,'gamma_sl', &
'plastic shear','1')
case('resistance_slip')
if(prm%totalNslip>0) call results_writeDataset(group,stt%xi_slip, 'xi_sl', &
'resistance against plastic slip','Pa')
case('accumulatedshear_slip')
if(prm%totalNslip>0) call results_writeDataset(group,stt%gamma_slip,'gamma_sl', &
'plastic shear','1')
case (resistance_twin_ID)
call results_writeDataset(group,stt%xi_twin, 'xi_tw', &
'resistance against twinning','Pa')
case (accumulatedshear_twin_ID)
call results_writeDataset(group,stt%gamma_twin,'gamma_tw', &
'twinning shear','1')
case('resistance_twin')
if(prm%totalNtwin>0) call results_writeDataset(group,stt%xi_twin, 'xi_tw', &
'resistance against twinning','Pa')
case('accumulatedshear_twin')
if(prm%totalNtwin>0) call results_writeDataset(group,stt%gamma_twin,'gamma_tw', &
'twinning shear','1')
end select
enddo outputsLoop
@ -472,10 +416,11 @@ end subroutine plastic_phenopowerlaw_results
!--------------------------------------------------------------------------------------------------
!> @brief Shear rates on slip systems and their derivatives with respect to resolved stress
!> @brief Calculate shear rates on slip systems and their derivatives with respect to resolved.
! stress.
!> @details Derivatives are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,instance,of, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtau_slip_pos,dgdot_dtau_slip_neg)
@ -543,9 +488,9 @@ end subroutine kinetics_slip
!--------------------------------------------------------------------------------------------------
!> @brief Shear rates on twin systems and their derivatives with respect to resolved stress.
! twinning is assumed to take place only in untwinned volume.
!> @details Derivates are calculated only optionally.
!> @brief Calculate shear rates on twin systems and their derivatives with respect to resolved
! stress. Twinning is assumed to take place only in untwinned volume.
!> @details Derivatives are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------