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DAMASK_EICMD
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simplifying

This commit is contained in:
Martin Diehl 2018-12-04 19:35:29 +01:00
parent e604a3d9cc
commit 91a2748131
2 changed files with 45 additions and 65 deletions
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2
src/math.f90
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@ -2617,7 +2617,7 @@ end function math_rotate_forward3333
!> @brief limits a scalar value to a certain range (either one or two sided) !> @brief limits a scalar value to a certain range (either one or two sided)
! Will return NaN if left > right ! Will return NaN if left > right
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
real(pReal) pure function math_clip(a, left, right) real(pReal) pure elemental function math_clip(a, left, right)
use, intrinsic :: & use, intrinsic :: &
IEEE_arithmetic IEEE_arithmetic

108
src/plastic_disloUCLA.f90
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@ -26,10 +26,7 @@ module plastic_disloUCLA
plastic_disloUCLA_totalNslip !< total number of active slip systems for each instance plastic_disloUCLA_totalNslip !< total number of active slip systems for each instance
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
plastic_disloUCLA_CAtomicVolume, & !< atomic volume in Bugers vector unit plastic_disloUCLA_Qsd !< activation energy for dislocation climb
plastic_disloUCLA_Qsd, & !< activation energy for dislocation climb
plastic_disloUCLA_CEdgeDipMinDistance, & !<
plastic_disloUCLA_dipoleFormationFactor !< scaling factor for dipole formation: 0: off, 1: on. other values not useful
real(pReal), dimension(:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:), allocatable, private :: &
@ -200,13 +197,8 @@ material_allocatePlasticState
allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt) allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt)
allocate(plastic_disloUCLA_CAtomicVolume(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_Qsd(maxNinstance), source=0.0_pReal) allocate(plastic_disloUCLA_Qsd(maxNinstance), source=0.0_pReal)
allocate(plastic_disloUCLA_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default
allocate(param(maxNinstance)) allocate(param(maxNinstance))
allocate(state(maxNinstance)) allocate(state(maxNinstance))
@ -267,9 +259,11 @@ do p = 1_pInt, size(phase_plasticityInstance)
prm%D0 = config_phase(p)%getFloat('d0') prm%D0 = config_phase(p)%getFloat('d0')
plastic_disloUCLA_Qsd(phase_plasticityInstance(p)) = config_phase(p)%getFloat('qsd') plastic_disloUCLA_Qsd(phase_plasticityInstance(p)) = config_phase(p)%getFloat('qsd')
plastic_disloUCLA_CEdgeDipMinDistance(phase_plasticityInstance(p)) = config_phase(p)%getFloat('cedgedipmindistance')
plastic_disloUCLA_CAtomicVolume(phase_plasticityInstance(p)) = config_phase(p)%getFloat('catomicvolume')
plastic_disloUCLA_dipoleFormationFactor(phase_plasticityInstance(p)) = config_phase(p)%getFloat('dipoleformationfactor') prm%dipoleformation = config_phase(p)%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default
prm%atomicVolume = config_phase(p)%getFloat('catomicvolume') * prm%burgers**3.0_pReal
prm%minDipDistance = config_phase(p)%getFloat('cedgedipmindistance') * prm%burgers
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho0 = math_expand(prm%rho0, prm%Nslip)
@ -285,15 +279,17 @@ do p = 1_pInt, size(phase_plasticityInstance)
prm%v0 = math_expand(prm%v0, prm%Nslip) prm%v0 = math_expand(prm%v0, prm%Nslip)
prm%B = math_expand(prm%B, prm%Nslip) prm%B = math_expand(prm%B, prm%Nslip)
prm%clambda = math_expand(prm%clambda, prm%Nslip) prm%clambda = math_expand(prm%clambda, prm%Nslip)
prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip)
prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip)
instance = phase_plasticityInstance(p) instance = phase_plasticityInstance(p)
plastic_disloUCLA_totalNslip(instance) = prm%totalNslip plastic_disloUCLA_totalNslip(instance) = prm%totalNslip
!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 (prm%D0 <= 0.0_pReal) & ! if (prm%D0 <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOUCLA_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOUCLA_label//')')
if (plastic_disloUCLA_Qsd(instance) <= 0.0_pReal) & ! if (plastic_disloUCLA_Qsd(instance) <= 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOUCLA_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOUCLA_label//')')
! if (plastic_disloUCLA_aTolRho(instance) <= 0.0_pReal) & ! if (plastic_disloUCLA_aTolRho(instance) <= 0.0_pReal) &
! call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOUCLA_label//')') ! call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOUCLA_label//')')
@ -564,82 +560,70 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
temperature !< temperature at integration point temperature !< temperature at integration point
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
instance, of instance, of
integer(pInt) :: ns,j integer(pInt) :: j
real(pReal) :: & real(pReal) :: &
EdgeDipMinDistance,&
AtomicVolume,&
VacancyDiffusion,& VacancyDiffusion,&
EdgeDipDistance, &
DotRhoEdgeDipAnnihilation, & DotRhoEdgeDipAnnihilation, &
DotRhoEdgeEdgeAnnihilation, & DotRhoEdgeEdgeAnnihilation, &
ClimbVelocity, & DotRhoEdgeDipClimb
DotRhoEdgeDipClimb, &
DotRhoDipFormation
real(pReal), dimension(plastic_disloUCLA_totalNslip(instance)) :: & real(pReal), dimension(plastic_disloUCLA_totalNslip(instance)) :: &
gdot_slip_pos, gdot_slip_neg,& gdot_slip_pos, gdot_slip_neg,&
tau_slip_pos,& tau_slip_pos,&
tau_slip_neg, & tau_slip_neg, &
dgdot_dtauslip_neg,dgdot_dtauslip_pos dgdot_dtauslip_neg,dgdot_dtauslip_pos,DotRhoDipFormation, ClimbVelocity, EdgeDipDistance
ns = plastic_disloUCLA_totalNslip(instance)
dotState(instance)%whole(:,of) = 0.0_pReal
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), mse => microstructure(instance))
!* Dislocation density evolution
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), mse => microstructure(instance))
call kinetics(Mp,Temperature,instance,of, & call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg)
dotState(instance)%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal
dot%whole(:,of) = 0.0_pReal
dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)*0.5_pReal
do j = 1_pInt, prm%totalNslip do j = 1_pInt, prm%totalNslip
EdgeDipMinDistance = plastic_disloUCLA_CEdgeDipMinDistance(instance)*prm%burgers(j)
AtomicVolume = plastic_disloUCLA_CAtomicVolume(instance)*prm%burgers(j)**(3.0_pReal)
!* Dipole formation !* Dipole formation
if (dEq0(tau_slip_pos(j))) then if (dEq0(tau_slip_pos(j)) .or. (.not. prm%dipoleformation)) then
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation(j) = 0.0_pReal
EdgeDipDistance(j)=mse%mfp(j,of) !ToDo MD@FR: correct? was not handled properly before
else else
EdgeDipDistance = & EdgeDipDistance(j) = &
(3.0_pReal*prm%mu*prm%burgers(j))/& (3.0_pReal*prm%mu*prm%burgers(j))/&
(16.0_pReal*pi*abs(tau_slip_pos(j))) (16.0_pReal*pi*abs(tau_slip_pos(j)))
if (EdgeDipDistance>mse%mfp(j,of)) EdgeDipDistance=mse%mfp(j,of) if (EdgeDipDistance(j)>mse%mfp(j,of)) EdgeDipDistance(j)=mse%mfp(j,of)
if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance if (EdgeDipDistance(j)<prm%minDipDistance(j)) EdgeDipDistance(j)=prm%minDipDistance(j)
DotRhoDipFormation = & DotRhoDipFormation(j) = &
((2.0_pReal*EdgeDipDistance)/prm%burgers(j))*& ((2.0_pReal*EdgeDipDistance(j))/prm%burgers(j))*&
stt%rhoEdge(j,of)*abs(dotState(instance)%accshear_slip(j,of))*plastic_disloUCLA_dipoleFormationFactor(instance) stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of))
endif endif
!* Spontaneous annihilation of 2 single edge dislocations
DotRhoEdgeEdgeAnnihilation = &
((2.0_pReal*EdgeDipMinDistance)/prm%burgers(j))*&
stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of))
!* Spontaneous annihilation of a single edge dislocation with a dipole constituent
DotRhoEdgeDipAnnihilation = &
((2.0_pReal*EdgeDipMinDistance)/prm%burgers(j))*&
stt%rhoEdgeDip(j,of)*abs(dotState(instance)%accshear_slip(j,of))
!* Dislocation dipole climb !* Dislocation dipole climb
VacancyDiffusion = prm%D0*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature)) VacancyDiffusion = prm%D0*exp(-plastic_disloUCLA_Qsd(instance)/(kB*Temperature))
if (dEq0(tau_slip_pos(j))) then if (dEq0(tau_slip_pos(j))) then
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else else
ClimbVelocity = & ClimbVelocity(j) = &
((3.0_pReal*prm%mu*VacancyDiffusion*AtomicVolume)/(2.0_pReal*pi*kB*Temperature))*& ((3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(j))/(2.0_pReal*pi*kB*Temperature))*&
(1/(EdgeDipDistance+EdgeDipMinDistance)) (1/(EdgeDipDistance(j)+prm%minDipDistance(j)))
DotRhoEdgeDipClimb = & DotRhoEdgeDipClimb = &
(4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(j,of))/(EdgeDipDistance-EdgeDipMinDistance) (4.0_pReal*ClimbVelocity(j)*stt%rhoEdgeDip(j,of))/(EdgeDipDistance(j)-prm%minDipDistance(j))
endif endif
!* Edge dislocation density rate of change !* Edge dislocation density rate of change
dot%rhoEdge(j,of) = abs(dot%accshear_slip(j,of))/(prm%burgers(j)*mse%mfp(j,of)) & ! multiplication dot%rhoEdge(j,of) = abs(dot%accshear_slip(j,of))/(prm%burgers(j)*mse%mfp(j,of)) & ! multiplication
- DotRhoDipFormation & - DotRhoDipFormation(j) &
- DotRhoEdgeEdgeAnnihilation - ((2.0_pReal*prm%minDipDistance(j))/prm%burgers(j))*&
stt%rhoEdge(j,of)*abs(dot%accshear_slip(j,of)) !* Spontaneous annihilation of 2 single edge dislocations
!* Edge dislocation dipole density rate of change !* Edge dislocation dipole density rate of change
dot%rhoEdgeDip(j,of) = DotRhoDipFormation & dot%rhoEdgeDip(j,of) = DotRhoDipFormation(j) &
- DotRhoEdgeDipAnnihilation & - ((2.0_pReal*prm%minDipDistance(j))/prm%burgers(j))*&
stt%rhoEdgeDip(j,of)*abs(dot%accshear_slip(j,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
- DotRhoEdgeDipClimb - DotRhoEdgeDipClimb
@ -797,9 +781,7 @@ instance,of
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) &
) )
gdot_slip_pos(j) = DotGamma0 & gdot_slip_pos(j) = DotGamma0 * sign(vel_slip,tau_slip_pos(j))
* vel_slip &
* sign(1.0_pReal,tau_slip_pos(j))
!* Derivatives of shear rates !* Derivatives of shear rates
dvel_slip = & dvel_slip = &
@ -866,9 +848,7 @@ instance,of
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) &
) )
gdot_slip_neg(j) = DotGamma0 & gdot_slip_neg(j) = DotGamma0 * sign(vel_slip,tau_slip_neg(j))
* vel_slip &
* sign(1.0_pReal,tau_slip_neg(j))
!* Derivatives of shear rates !* Derivatives of shear rates
dvel_slip = & dvel_slip = &
2.0_pReal*prm%burgers(j) & 2.0_pReal*prm%burgers(j) &