polishing

This commit is contained in:
Martin Diehl 2018-10-14 09:26:32 +02:00
parent 513faa2218
commit 4c780226d1
1 changed files with 130 additions and 135 deletions

View File

@ -32,10 +32,7 @@ module plastic_phenopowerlaw
totalvolfrac_twin_ID
end enum
type, private :: tParameters !< container type for internal constitutive parameters
integer(pInt) :: &
totalNslip, &
totalNtwin
type, private :: tParameters
real(pReal) :: &
gdot0_slip, & !< reference shear strain rate for slip
gdot0_twin, & !< reference shear strain rate for twin
@ -50,45 +47,48 @@ module plastic_phenopowerlaw
h0_TwinSlip, & !< reference hardening twin - slip
h0_TwinTwin, & !< reference hardening twin - twin
a_slip, &
aTolResistance, & ! default absolute tolerance 1 Pa
aTolShear, & ! default absolute tolerance 1e-6
aTolTwinfrac ! default absolute tolerance 1e-6
integer(pInt), dimension(:), allocatable :: &
Nslip, & !< active number of slip systems per family
Ntwin !< active number of twin systems per family
real(pReal), dimension(:), allocatable :: &
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(:) :: &
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) !ToDo: Better name!
gamma_twin_char !< characteristic shear for twins
real(pReal), dimension(:,:), allocatable :: &
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), dimension(:,:,:), allocatable :: &
real(pReal), allocatable, dimension(:,:,:) :: &
Schmid_slip, &
Schmid_twin, &
nonSchmid_pos, &
nonSchmid_neg
integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID !< ID of each post result output
end type
integer(pInt) :: &
totalNslip, & !< total number of active slip system
totalNtwin !< total number of active twin systems
integer(pInt), 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
end type !< container type for internal constitutive parameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
type, private :: tPhenopowerlawState
real(pReal), pointer, dimension(:,:) :: &
real(pReal), pointer, dimension(:) :: &
sumGamma, &
sumF
real(pReal), pointer, dimension(:,:) :: &
xi_slip, &
xi_twin, &
gamma_slip, &
gamma_twin, &
whole
real(pReal), pointer, dimension(:) :: &
sumGamma, &
sumF
end type
type(tPhenopowerlawState), allocatable, dimension(:), private :: &
@ -115,6 +115,7 @@ subroutine plastic_phenopowerlaw_init
compiler_options
#endif
use prec, only: &
pStringLen, &
dEq0
use debug, only: &
debug_level, &
@ -142,16 +143,15 @@ subroutine plastic_phenopowerlaw_init
numerics_integrator
implicit none
integer(pInt) :: &
maxNinstance, &
instance,p, i,&
Ninstance, &
p, i, &
NipcMyPhase, outputSize, &
sizeState,sizeDotState, &
sizeState, sizeDotState, &
startIndex, endIndex
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
type(tParameters) :: &
@ -163,152 +163,151 @@ subroutine plastic_phenopowerlaw_init
integer(kind(undefined_ID)) :: &
outputID !< ID of each post result output
character(len=512) :: &
extmsg = '', &
structure = ''
character(len=65536), dimension(:), allocatable :: outputs
character(len=pStringLen) :: &
structure = '',&
extmsg = ''
character(len=65536), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
maxNinstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt)
Ninstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),maxNinstance))
allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt)
allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),Ninstance))
plastic_phenopowerlaw_output = ''
allocate(param(maxNinstance)) ! one container of parameters per instance
allocate(state(maxNinstance))
allocate(dotState(maxNinstance))
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
do p = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle
instance = phase_plasticityInstance(p)
associate(prm => param(instance),stt => state(instance),dot => dotState(instance))
extmsg = ''
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)))
structure = config_phase(p)%getString('lattice_structure')
structure = config_phase(p)%getString('lattice_structure')
!--------------------------------------------------------------------------------------------------
! optional parameters that need to be defined
prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal)
prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal)
prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal)
prm%twinE = config_phase(p)%getFloat('twin_e',defaultVal=0.0_pReal)
prm%aTolResistance = config_phase(p)%getFloat('atol_resistance',defaultVal=1.0_pReal)
prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal)
prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal)
! sanity checks
if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//'aTolresistance '
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear '
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//'atoltwinfrac '
!--------------------------------------------------------------------------------------------------
! slip related parameters
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip)
if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) &
call IO_error(150_pInt,ext_msg='Nslip')
if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) &
call IO_error(150_pInt,ext_msg='Nslip')
slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
! reading in slip related parameters
if(structure=='bcc') then
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else
prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip
endif
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config_phase(p)%getFloats('interaction_slipslip'), &
structure(1:3))
prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip))
prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip))
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip,config_phase(p)%getFloats('interaction_slipslip'), &
structure(1:3))
prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), &
defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray )
if(structure=='bcc') then
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
else
prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip
endif
prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip')
prm%n_slip = config_phase(p)%getFloat('n_slip')
prm%a_slip = config_phase(p)%getFloat('a_slip')
prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip')
! sanity checks for slip related parameters
if (any(prm%xi_slip_0 < 0.0_pReal .and. prm%Nslip > 0_pInt)) &
extmsg = trim(extmsg)//"xi_slip_0 "
if (any(prm%xi_slip_sat < prm%xi_slip_0 .and. prm%Nslip > 0_pInt)) &
extmsg = trim(extmsg)//"xi_slip_sat "
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_slip "
if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//"a_slip " ! ToDo: negative values ok?
if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//"n_slip " ! ToDo: negative values ok?
! expand slip related parameters from system => family
prm%xi_slip_0 = math_expand(prm%xi_slip_0,prm%Nslip)
! expand: family => system
prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip)
prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip)
prm%H_int = math_expand(prm%H_int,prm%Nslip)
prm%H_int = math_expand(prm%H_int, prm%Nslip)
! sanity checks
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_slip '
if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//'a_slip ' ! ToDo: negative values ok?
if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//'n_slip ' ! ToDo: negative values ok?
if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//'xi_slip_0 '
if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//'xi_slip_sat '
else slipActive
allocate(prm%interaction_SlipSlip(0,0))
allocate(prm%xi_slip_0(0))
endif slipActive
!--------------------------------------------------------------------------------------------------
! twin related parameters
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray)
prm%totalNtwin = sum(prm%Ntwin)
if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) &
call IO_error(150_pInt,ext_msg='Ntwin')
if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) &
call IO_error(150_pInt,ext_msg='Ntwin')
twinActive: if (prm%totalNtwin > 0_pInt) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
! reading in twin related parameters
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
config_phase(p)%getFloats('interaction_twintwin'), &
structure(1:3))
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a'))
prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin))
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,config_phase(p)%getFloats('interaction_twintwin'), &
structure(1:3))
prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin')
prm%n_twin = config_phase(p)%getFloat('n_twin')
prm%spr = config_phase(p)%getFloat('s_pr')
prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin')
prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin')
prm%n_twin = config_phase(p)%getFloat('n_twin')
prm%spr = config_phase(p)%getFloat('s_pr')
prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin')
! sanity checks for twin related parameters
if (any(prm%xi_twin_0 < 0.0_pReal .and. prm%Ntwin > 0_pInt)) &
extmsg = trim(extmsg)//"xi_twin_0 "
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_twin "
if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//"n_twin " ! ToDo: negative values ok?
! expand: family => system
prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin)
! expand slip related parameters from system => family
prm%xi_twin_0 = math_expand(prm%xi_twin_0,prm%Ntwin)
! sanity checks
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_twin '
if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//'n_twin ' ! ToDo: negative values ok?
else twinActive
allocate(prm%interaction_TwinTwin(0,0))
allocate(prm%xi_twin_0(0))
endif twinActive
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
!--------------------------------------------------------------------------------------------------
! slip-twin related parameters
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
config_phase(p)%getFloats('interaction_sliptwin'), &
structure(1:3))
config_phase(p)%getFloats('interaction_sliptwin'), &
structure(1:3))
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
config_phase(p)%getFloats('interaction_twinslip'), &
structure(1:3))
config_phase(p)%getFloats('interaction_twinslip'), &
structure(1:3))
else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension 0
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension 0
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0
prm%h0_TwinSlip = 0.0_pReal
endif slipAndTwinActive
! optional parameters that should be defined
prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal)
prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal)
prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal)
prm%twinE = config_phase(p)%getFloat('twin_e',defaultVal=0.0_pReal)
prm%aTolResistance = config_phase(p)%getFloat('atol_resistance',defaultVal=1.0_pReal)
prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal)
prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal)
if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//"aTolresistance "
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//"aTolShear "
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//"atoltwinfrac "
if (extmsg /= '') call IO_error(211_pInt,ip=instance,&
ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')')
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')')
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1_pInt, size(outputs)
@ -349,8 +348,8 @@ subroutine plastic_phenopowerlaw_init
end select
if (outputID /= undefined_ID) then
plastic_phenopowerlaw_output(i,instance) = outputs(i)
plastic_phenopowerlaw_sizePostResult(i,instance) = outputSize
plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize
prm%outputID = [prm%outputID , outputID]
endif
@ -361,14 +360,14 @@ subroutine plastic_phenopowerlaw_init
NipcMyPhase = count(material_phase == p) ! number of IPCs containing my phase
sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip &
+ size(['tau_twin ','gamma_twin']) * prm%TotalNtwin &
+ size(['sum(gamma)','sum(f) '])
+ size(['sum(gamma)','sum(f) ']) ! ToDo: only needed if either twin or slip active!
!--------------------------------------------------------------------------------------------------
! ToDo: This could be done by a function (in constitutive?)
sizeDotState = sizeState
plasticState(p)%sizeState = sizeState
plasticState(p)%sizeDotState = sizeDotState
plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance))
plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p)))
plasticState(p)%nSlip = prm%totalNslip
plasticState(p)%nTwin = prm%totalNtwin
allocate(plasticState(p)%aTolState ( sizeState), source=0.0_pReal)
@ -408,7 +407,7 @@ subroutine plastic_phenopowerlaw_init
startIndex = endIndex + 1_pInt
endIndex = endIndex + 1_pInt
stt%sumGamma => plasticState(p)%state (startIndex,:)
dot%sumGamma => plasticState(p)%dotState(startIndex,:)
dot%sumGamma => plasticState(p)%dotState(startIndex,:) ! ToDo: this is never used
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear
startIndex = endIndex + 1_pInt
@ -432,7 +431,7 @@ subroutine plastic_phenopowerlaw_init
dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear
plasticState(p)%state0 = plasticState(p)%state
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
dot%whole => plasticState(p)%dotState
end associate
@ -560,7 +559,7 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
!--------------------------------------------------------------------------------------------------
! system-independent (nonlinear) prefactors to M_Xx (X influenced by x) matrices
c_SlipSlip = prm%h0_slipslip * (1.0_pReal + prm%twinC*stt%sumF(of)** prm%twinB)
c_TwinSlip = prm%h0_TwinSlip * stt%sumGamma(of)**prm%twinE
c_TwinSlip = prm%h0_TwinSlip * stt%sumGamma(of)**prm%twinE !ToDo: this makes no sense if totalNslip ==0
c_TwinTwin = prm%h0_TwinTwin * stt%sumF(of)**prm%twinD
!--------------------------------------------------------------------------------------------------
@ -590,25 +589,21 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
enddo
call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of))
if (stt%sumF(of) < 0.98_pReal) dot%sumF(of) = sum(dot%gamma_twin(:,of)/prm%gamma_twin_char)
if (prm%totalNtwin > 0_pInt) dot%sumF(of) = merge(sum(dot%gamma_twin(:,of)/prm%gamma_twin_char), &
0.0_pReal, &
stt%sumF(of) < 0.98_pReal)
!--------------------------------------------------------------------------------------------------
! hardening
hardeningSlip: do i = 1_pInt, prm%totalNslip
dot%xi_slip(i,of) = &
c_SlipSlip * left_SlipSlip(i) &
* dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) &
+ &
dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) &
* c_SlipSlip * left_SlipSlip(i) &
+ dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
enddo hardeningSlip
hardeningTwin: do i = 1_pInt, prm%totalNtwin
dot%xi_twin(i,of) = &
c_TwinSlip &
* dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
+ &
c_TwinTwin &
* dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
+ c_TwinTwin * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
enddo hardeningTwin
end associate