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mutual best practise phenopowerlaw <-> disloUCLA

This commit is contained in:
Martin Diehl 2019-01-05 23:33:18 +01:00
parent fde2d550b8
commit dc64841f15
2 changed files with 194 additions and 190 deletions
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231
src/plastic_disloUCLA.f90
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@ -3,8 +3,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author David Cereceda, Lawrence Livermore National Laboratory !> @author David Cereceda, Lawrence Livermore National Laboratory
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating dislocation and twinning physics !> @brief crystal plasticity model for bcc metals, especially Tungsten
!> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_disloUCLA module plastic_disloUCLA
use prec, only: & use prec, only: &
@ -15,7 +14,6 @@ module plastic_disloUCLA
private private
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
plastic_disloUCLA_sizePostResult !< size of each post result output plastic_disloUCLA_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
plastic_disloUCLA_output !< name of each post result output plastic_disloUCLA_output !< name of each post result output
@ -23,7 +21,8 @@ module plastic_disloUCLA
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
enum, bind(c) enum, bind(c)
enumerator :: undefined_ID, & enumerator :: &
undefined_ID, &
rho_ID, & rho_ID, &
rhoDip_ID, & rhoDip_ID, &
shearrate_ID, & shearrate_ID, &
@ -49,6 +48,8 @@ module plastic_disloUCLA
minDipDistance, & minDipDistance, &
CLambda, & !< Adj. parameter for distance between 2 forest dislocations CLambda, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, & atomicVolume, &
tau_Peierls, &
tau0, &
!* mobility law parameters !* mobility law parameters
H0kp, & !< activation energy for glide [J] H0kp, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s] v0, & !< dislocation velocity prefactor [m/s]
@ -57,9 +58,7 @@ module plastic_disloUCLA
B, & !< friction coefficient B, & !< friction coefficient
kink_height, & !< height of the kink pair kink_height, & !< height of the kink pair
w, & !< width of the kink pair w, & !< width of the kink pair
omega, & !< attempt frequency for kink pair nucleation omega !< attempt frequency for kink pair nucleation
tau_Peierls, &
tau0
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
interaction_SlipSlip, & !< slip resistance from slip activity interaction_SlipSlip, & !< slip resistance from slip activity
forestProjectionEdge forestProjectionEdge
@ -84,8 +83,7 @@ module plastic_disloUCLA
real(pReal), pointer, dimension(:,:) :: & real(pReal), pointer, dimension(:,:) :: &
rhoEdge, & rhoEdge, &
rhoEdgeDip, & rhoEdgeDip, &
accshear_slip, & accshear_slip
whole
end type end type
type, private :: tDisloUCLAdependentState type, private :: tDisloUCLAdependentState
@ -96,9 +94,8 @@ module plastic_disloUCLA
end type tDisloUCLAdependentState end type tDisloUCLAdependentState
type(tDisloUCLAState ), allocatable, dimension(:), private :: & type(tDisloUCLAState ), allocatable, dimension(:), private :: &
state, & dotState, &
dotState state
type(tDisloUCLAdependentState), allocatable, dimension(:), private :: & type(tDisloUCLAdependentState), allocatable, dimension(:), private :: &
dependentState dependentState
@ -139,11 +136,11 @@ subroutine plastic_disloUCLA_init()
phase_plasticity, & phase_plasticity, &
phase_plasticityInstance, & phase_plasticityInstance, &
phase_Noutput, & phase_Noutput, &
material_allocatePlasticState, &
PLASTICITY_DISLOUCLA_label, & PLASTICITY_DISLOUCLA_label, &
PLASTICITY_DISLOUCLA_ID, & PLASTICITY_DISLOUCLA_ID, &
material_phase, & material_phase, &
plasticState, & plasticState
material_allocatePlasticState
use config, only: & use config, only: &
MATERIAL_partPhase, & MATERIAL_partPhase, &
config_phase config_phase
@ -151,31 +148,34 @@ subroutine plastic_disloUCLA_init()
implicit none implicit none
integer(pInt) :: & integer(pInt) :: &
index_myFamily, index_otherFamily, &
f,j,k,o, &
Ninstance, & Ninstance, &
f,j,k,o, i, & p, i, &
outputSize, & NipcMyPhase, outputSize, &
offset_slip, index_myFamily, index_otherFamily, &
startIndex, endIndex, p, &
sizeState, sizeDotState, & sizeState, sizeDotState, &
NipcMyPhase startIndex, endIndex
character(len=pStringLen) :: &
structure = '',&
extmsg = ''
character(len=65536), dimension(:), allocatable :: outputs
integer(kind(undefined_ID)) :: outputID
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOUCLA_label//' init -+>>>' integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
structure = '',&
extmsg = ''
character(len=65536), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_DISLOUCLA_label//' init -+>>>'
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78, 2016, 242-256' write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78, 2016, 242-256'
write(6,'(/,a)') ' http://dx.doi.org/10.1016/j.ijplas.2015.09.002' write(6,'(/,a)') ' http://dx.doi.org/10.1016/j.ijplas.2015.09.002'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
Ninstance = int(count(phase_plasticity == PLASTICITY_DISLOUCLA_ID),pInt) Ninstance = int(count(phase_plasticity == PLASTICITY_DISLOUCLA_ID),pInt)
if (Ninstance == 0_pInt) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
@ -194,21 +194,29 @@ subroutine plastic_disloUCLA_init()
associate(prm => param(phase_plasticityInstance(p)), & associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), & stt => state(phase_plasticityInstance(p)), &
dst => dependentState(phase_plasticityInstance(p))) dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p))
structure = config_phase(p)%getString('lattice_structure') structure = config%getString('lattice_structure')
!--------------------------------------------------------------------------------------------------
! optional parameters that need to be defined
prm%mu = lattice_mu(p) prm%mu = lattice_mu(p)
prm%aTolRho = config_phase(p)%getFloat('atol_rho') prm%aTolRho = config%getFloat('atol_rho')
! sanity checks
if (prm%aTolRho <= 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%totalNslip = sum(prm%Nslip)
slipActive: if (prm%totalNslip > 0_pInt) then slipActive: if (prm%totalNslip > 0_pInt) then
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(structure=='bcc') then if(structure=='bcc') then
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',& prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray) defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
@ -217,32 +225,32 @@ subroutine plastic_disloUCLA_init()
prm%nonSchmid_neg = prm%Schmid_slip prm%nonSchmid_neg = prm%Schmid_slip
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config_phase(p)%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
structure(1:3)) structure(1:3))
prm%rho0 = config_phase(p)%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) prm%rho0 = config%getFloats('rhoedge0', requiredShape=shape(prm%Nslip))
prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0', requiredShape=shape(prm%Nslip)) prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredShape=shape(prm%Nslip))
prm%v0 = config_phase(p)%getFloats('v0', requiredShape=shape(prm%Nslip)) prm%v0 = config%getFloats('v0', requiredShape=shape(prm%Nslip))
prm%burgers = config_phase(p)%getFloats('slipburgers', requiredShape=shape(prm%Nslip)) prm%burgers = config%getFloats('slipburgers', requiredShape=shape(prm%Nslip))
prm%H0kp = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip)) prm%H0kp = config%getFloats('qedge', requiredShape=shape(prm%Nslip))
prm%clambda = config_phase(p)%getFloats('clambdaslip', requiredShape=shape(prm%Nslip)) prm%clambda = config%getFloats('clambdaslip', requiredShape=shape(prm%Nslip))
prm%tau_Peierls = config_phase(p)%getFloats('tau_peierls', requiredShape=shape(prm%Nslip)) ! ToDo: Deprecated prm%tau_Peierls = config%getFloats('tau_peierls', requiredShape=shape(prm%Nslip)) ! ToDo: Deprecated
prm%p = config_phase(p)%getFloats('p_slip', requiredShape=shape(prm%Nslip), & prm%p = config%getFloats('p_slip', requiredShape=shape(prm%Nslip), &
defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%q = config_phase(p)%getFloats('q_slip', requiredShape=shape(prm%Nslip), & prm%q = config%getFloats('q_slip', requiredShape=shape(prm%Nslip), &
defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))])
prm%kink_height = config_phase(p)%getFloats('kink_height', requiredShape=shape(prm%Nslip)) prm%kink_height = config%getFloats('kink_height', requiredShape=shape(prm%Nslip))
prm%w = config_phase(p)%getFloats('kink_width', requiredShape=shape(prm%Nslip)) prm%w = config%getFloats('kink_width', requiredShape=shape(prm%Nslip))
prm%omega = config_phase(p)%getFloats('omega', requiredShape=shape(prm%Nslip)) prm%omega = config%getFloats('omega', requiredShape=shape(prm%Nslip))
prm%B = config_phase(p)%getFloats('friction_coeff', requiredShape=shape(prm%Nslip)) prm%B = config%getFloats('friction_coeff', requiredShape=shape(prm%Nslip))
prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') ! ToDo: Deprecated prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! ToDo: Deprecated
prm%grainSize = config_phase(p)%getFloat('grainsize') prm%grainSize = config%getFloat('grainsize')
prm%D0 = config_phase(p)%getFloat('d0') prm%D0 = config%getFloat('d0')
prm%Qsd = config_phase(p)%getFloat('qsd') prm%Qsd = config%getFloat('qsd')
prm%atomicVolume = config_phase(p)%getFloat('catomicvolume') * prm%burgers**3.0_pReal prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers**3.0_pReal
prm%minDipDistance = config_phase(p)%getFloat('cedgedipmindistance') * prm%burgers prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%burgers
prm%dipoleformation = config_phase(p)%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-key
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho0 = math_expand(prm%rho0, prm%Nslip)
@ -263,7 +271,6 @@ subroutine plastic_disloUCLA_init()
prm%tau0 = prm%tau_peierls + prm%SolidSolutionStrength prm%tau0 = prm%tau_peierls + prm%SolidSolutionStrength
! sanity checks ! sanity checks
if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0' if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0' if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
@ -271,35 +278,30 @@ subroutine plastic_disloUCLA_init()
if (any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' slipburgers' if (any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' slipburgers'
if (any(prm%H0kp <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge' if (any(prm%H0kp <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls' if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0' if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' qsd' if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' qsd'
!if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) & !if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) &
! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')')
! if (plastic_disloUCLA_aTolRho(instance) <= 0.0_pReal) &
! call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOUCLA_label//')')
else slipActive else slipActive
allocate(prm%rho0(0)) allocate(prm%rho0(0))
allocate(prm%rhoDip0(0)) allocate(prm%rhoDip0(0))
endif slipActive endif slipActive
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOUCLA_label//')')
#if defined(__GFORTRAN__) !--------------------------------------------------------------------------------------------------
outputs = ['GfortranBug86277'] ! output pararameters
outputs = config_phase(p)%getStrings('(output)',defaultVal=outputs) outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
if (outputs(1) == 'GfortranBug86277') outputs = emptyStringArray
#else
outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
#endif
allocate(prm%outputID(0)) allocate(prm%outputID(0))
do i=1_pInt, size(outputs)
do i = 1_pInt, size(outputs)
outputID = undefined_ID outputID = undefined_ID
outputSize = prm%totalNslip outputSize = prm%totalNslip
select case(trim(outputs(i))) select case(trim(outputs(i)))
case ('edge_density') case ('edge_density')
outputID = merge(rho_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(rho_ID,undefined_ID,prm%totalNslip>0_pInt)
case ('dipole_density') case ('dipole_density')
@ -314,6 +316,7 @@ subroutine plastic_disloUCLA_init()
outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0_pInt)
case ('edge_dipole_distance') case ('edge_dipole_distance')
outputID = merge(dipoleDistance_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(dipoleDistance_ID,undefined_ID,prm%totalNslip>0_pInt)
end select end select
if (outputID /= undefined_ID) then if (outputID /= undefined_ID) then
@ -322,19 +325,16 @@ subroutine plastic_disloUCLA_init()
prm%outputID = [prm%outputID, outputID] prm%outputID = [prm%outputID, outputID]
endif endif
enddo end do
NipcMyPhase=count(material_phase==p)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
NipcMyPhase = count(material_phase==p)
sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip
sizeState = sizeDotState sizeState = sizeDotState
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, &
prm%totalNslip,0_pInt,0_pInt) prm%totalNslip,0_pInt,0_pInt)
plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p))) plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p)))
allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal) allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal)
@ -355,41 +355,39 @@ subroutine plastic_disloUCLA_init()
enddo slipSystemsLoop enddo slipSystemsLoop
enddo mySlipFamilies enddo mySlipFamilies
offset_slip = 2_pInt*plasticState(p)%nSlip !--------------------------------------------------------------------------------------------------
plasticState(p)%slipRate => & ! locally defined state aliases and initialization of state0 and aTolState
plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nSlip,1:NipcMyPhase) startIndex = 1_pInt
plasticState(p)%accumulatedSlip => & endIndex = prm%totalNslip
plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nSlip,1:NipcMyPhase)
startIndex=1_pInt
endIndex=prm%totalNslip
stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:)
stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase) stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase)
dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex=endIndex+1_pInt startIndex = endIndex + 1_pInt
endIndex=endIndex+prm%totalNslip endIndex = endIndex + prm%totalNslip
stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase) stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase)
dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex=endIndex+1_pInt startIndex = endIndex + 1_pInt
endIndex=endIndex+prm%totalNslip endIndex = endIndex + prm%totalNslip
stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:)
dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
dot%whole => plasticState(p)%dotState allocate(dst%mfp(prm%totalNslip,NipcMyPhase), source=0.0_pReal)
allocate(dst%mfp(prm%totalNslip,NipcMyPhase),source=0.0_pReal)
allocate(dst%dislocationSpacing(prm%totalNslip,NipcMyPhase),source=0.0_pReal) allocate(dst%dislocationSpacing(prm%totalNslip,NipcMyPhase),source=0.0_pReal)
allocate(dst%threshold_stress(prm%totalNslip,NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress(prm%totalNslip,NipcMyPhase), source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
end associate end associate
enddo enddo
end subroutine plastic_disloUCLA_init end subroutine plastic_disloUCLA_init
@ -432,28 +430,30 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
implicit none implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature temperature !< temperature
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
instance, of instance, &
of
integer(pInt) :: i,k,l,m,n integer(pInt) :: &
i,k,l,m,n
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg dgdot_dtauslip_pos,dgdot_dtauslip_neg, &
gdot_slip_pos,gdot_slip_neg
associate(prm => param(instance))
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dMp = 0.0_pReal dLp_dMp = 0.0_pReal
call kinetics(Mp,Temperature,instance,of, & associate(prm => param(instance))
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
call kinetics(Mp,Temperature,instance,of,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
slipSystems: do i = 1_pInt, prm%totalNslip slipSystems: do i = 1_pInt, prm%totalNslip
Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%Schmid_slip(1:3,1:3,i) Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%Schmid_slip(1:3,1:3,i)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
@ -501,7 +501,6 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
gdot_slip_pos,gdot_slip_neg, & gdot_slip_pos,gdot_slip_neg, &
tau_slip_pos1 = tau_slip_pos,tau_slip_neg1 = tau_slip_neg) tau_slip_pos1 = tau_slip_pos,tau_slip_neg1 = tau_slip_neg)
dot%whole(:,of) = 0.0_pReal
dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg) ! ToDo: needs to be abs dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
@ -539,7 +538,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
use prec, only: & use prec, only: &
dEq, dNeq0 dEq, dNeq0
use math, only: & use math, only: &
pi, & PI, &
math_mul33xx33 math_mul33xx33
implicit none implicit none
@ -557,14 +556,12 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
integer(pInt) :: & integer(pInt) :: &
o,c,i o,c,i
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos, & gdot_slip_pos,gdot_slip_neg
gdot_slip_neg
c = 0_pInt
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
postResults = 0.0_pReal
c = 0_pInt
outputsLoop: do o = 1_pInt,size(prm%outputID) outputsLoop: do o = 1_pInt,size(prm%outputID)
select case(prm%outputID(o)) select case(prm%outputID(o))
@ -591,14 +588,18 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
endif endif
postResults(c+i)=min(postResults(c+i),dst%mfp(i,of)) postResults(c+i)=min(postResults(c+i),dst%mfp(i,of))
enddo enddo
end select end select
c = c + prm%totalNslip c = c + prm%totalNslip
enddo outputsLoop enddo outputsLoop
end associate end associate
end function plastic_disloUCLA_postResults end function plastic_disloUCLA_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Shear rates on slip systems, their derivatives with respect to resolved stress and the !> @brief Shear rates on slip systems, their derivatives with respect to resolved stress and the
! resolved stresss ! resolved stresss
@ -621,20 +622,24 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature temperature !< temperature
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
of, instance instance, &
of
integer(pInt) :: &
j
real(pReal), intent(out), dimension(param(instance)%totalNslip) :: & real(pReal), intent(out), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,gdot_slip_neg gdot_slip_pos, &
gdot_slip_neg
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: & real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
dgdot_dtauslip_pos,tau_slip_pos1,dgdot_dtauslip_neg,tau_slip_neg1 dgdot_dtauslip_pos, &
dgdot_dtauslip_neg, &
tau_slip_pos1, &
tau_slip_neg1
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
StressRatio, & StressRatio, &
StressRatio_p,StressRatio_pminus1, & StressRatio_p,StressRatio_pminus1, &
dvel_slip, vel_slip, & dvel_slip, vel_slip, &
tau_slip_pos,tau_slip_neg, & tau_slip_pos,tau_slip_neg, &
needsGoodName ! ToDo: @Karo: any idea? needsGoodName ! ToDo: @Karo: any idea?
integer(pInt) :: j
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))

43
src/plastic_phenopowerlaw.f90
View File

@ -2,12 +2,11 @@
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine for phenomenological crystal plasticity formulation using a powerlaw !> @brief phenomenological crystal plasticity formulation using a powerlaw fitting
!! fitting
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_phenopowerlaw module plastic_phenopowerlaw
use prec, only: & use prec, only: &
pReal,& pReal, &
pInt pInt
implicit none implicit none
@ -100,7 +99,6 @@ module plastic_phenopowerlaw
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
@ -194,9 +192,9 @@ subroutine plastic_phenopowerlaw_init
prm%aTolTwinfrac = config%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal) prm%aTolTwinfrac = config%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal)
! sanity checks ! sanity checks
if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//'aTolresistance ' if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//' aTolresistance'
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear ' if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//' aTolShear'
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//'atoltwinfrac ' if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//' atoltwinfrac'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
@ -234,11 +232,11 @@ subroutine plastic_phenopowerlaw_init
prm%H_int = math_expand(prm%H_int, prm%Nslip) prm%H_int = math_expand(prm%H_int, prm%Nslip)
! sanity checks ! sanity checks
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_slip ' if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0_slip'
if (prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//'a_slip ' if (prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//' a_slip'
if (prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//'n_slip ' if (prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'
if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//'xi_slip_0 ' 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 ' if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//' xi_slip_sat'
else slipActive else slipActive
allocate(prm%interaction_SlipSlip(0,0)) allocate(prm%interaction_SlipSlip(0,0))
allocate(prm%xi_slip_0(0)) allocate(prm%xi_slip_0(0))
@ -268,8 +266,8 @@ subroutine plastic_phenopowerlaw_init
prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin) prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin)
! sanity checks ! sanity checks
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_twin ' if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0_twin'
if (prm%n_twin <= 0.0_pReal) extmsg = trim(extmsg)//'n_twin ' if (prm%n_twin <= 0.0_pReal) extmsg = trim(extmsg)//' n_twin'
else twinActive else twinActive
allocate(prm%interaction_TwinTwin(0,0)) allocate(prm%interaction_TwinTwin(0,0))
allocate(prm%xi_twin_0(0)) allocate(prm%xi_twin_0(0))
@ -303,6 +301,7 @@ subroutine plastic_phenopowerlaw_init
do i=1_pInt, size(outputs) do i=1_pInt, size(outputs)
outputID = undefined_ID outputID = undefined_ID
select case(outputs(i)) select case(outputs(i))
case ('resistance_slip') case ('resistance_slip')
outputID = merge(resistance_slip_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(resistance_slip_ID,undefined_ID,prm%totalNslip>0_pInt)
outputSize = prm%totalNslip outputSize = prm%totalNslip
@ -334,7 +333,7 @@ subroutine plastic_phenopowerlaw_init
if (outputID /= undefined_ID) then if (outputID /= undefined_ID) then
plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i) plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize
prm%outputID = [prm%outputID , outputID] prm%outputID = [prm%outputID, outputID]
endif endif
end do end do
@ -342,9 +341,9 @@ subroutine plastic_phenopowerlaw_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
NipcMyPhase = count(material_phase == p) NipcMyPhase = count(material_phase == p)
sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip & sizeDotState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip &
+ size(['tau_twin ','gamma_twin']) * prm%TotalNtwin + size(['tau_twin ','gamma_twin']) * prm%TotalNtwin
sizeDotState = sizeState sizeState = sizeDotState
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, &
prm%totalNslip,prm%totalNtwin,0_pInt) prm%totalNslip,prm%totalNtwin,0_pInt)
@ -384,6 +383,7 @@ subroutine plastic_phenopowerlaw_init
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
end associate end associate
enddo enddo
end subroutine plastic_phenopowerlaw_init end subroutine plastic_phenopowerlaw_init
@ -394,7 +394,7 @@ end subroutine plastic_phenopowerlaw_init
!> @details asumme that deformation by dislocation glide affects twinned and untwinned volume !> @details asumme that deformation by dislocation glide affects twinned and untwinned volume
! equally (Taylor assumption). Twinning happens only in untwinned volume ( ! equally (Taylor assumption). Twinning happens only in untwinned volume (
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
@ -531,7 +531,7 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
c = 0_pInt c = 0_pInt
associate( prm => param(instance), stt => state(instance)) associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1_pInt,size(prm%outputID) outputsLoop: do o = 1_pInt,size(prm%outputID)
select case(prm%outputID(o)) select case(prm%outputID(o))
@ -595,13 +595,12 @@ pure subroutine kinetics_slip(Mp,instance,of, &
instance, & instance, &
of of
real(pReal), dimension(param(instance)%totalNslip), intent(out) :: & real(pReal), intent(out), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos, & gdot_slip_pos, &
gdot_slip_neg gdot_slip_neg
real(pReal), dimension(param(instance)%totalNslip), intent(out), optional :: & real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
dgdot_dtau_slip_pos, & dgdot_dtau_slip_pos, &
dgdot_dtau_slip_neg dgdot_dtau_slip_neg
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
tau_slip_pos, & tau_slip_pos, &
tau_slip_neg tau_slip_neg