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This commit is contained in:
Martin Diehl 2019-03-20 16:52:43 +01:00
parent 349acce9f2
commit 97f6566d98
1 changed files with 37 additions and 38 deletions
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src/plastic_disloUCLA.f90
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@ -36,14 +36,14 @@ module plastic_disloUCLA
D, & !< grain size D, & !< grain size
mu, & mu, &
D0, & !< prefactor for self-diffusion coefficient D0, & !< prefactor for self-diffusion coefficient
Qsd !< activation energy for dislocation climb Q_cl !< activation energy for dislocation climb
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
rho_mob_0, & !< initial dislocation density rho_mob_0, & !< initial dislocation density
rho_dip_0, & !< initial dipole density rho_dip_0, & !< initial dipole density
b_sl, & !< magnitude of burgers vector [m] b_sl, & !< magnitude of burgers vector [m]
nonSchmidCoeff, & nonSchmidCoeff, &
minDipDistance, & D_a, &
CLambda, & !< Adj. parameter for distance between 2 forest dislocations i_sl, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, & atomicVolume, &
tau_0, & tau_0, &
!* mobility law parameters !* mobility law parameters
@ -81,8 +81,7 @@ module plastic_disloUCLA
type, private :: tDisloUCLAdependentState type, private :: tDisloUCLAdependentState
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
mfp, & Lambda_sl, &
dislocationSpacing, &
threshold_stress threshold_stress
end type tDisloUCLAdependentState end type tDisloUCLAdependentState
@ -221,7 +220,7 @@ subroutine plastic_disloUCLA_init()
prm%b_sl = config%getFloats('slipburgers', requiredSize=size(prm%N_sl)) prm%b_sl = config%getFloats('slipburgers', requiredSize=size(prm%N_sl))
prm%delta_F = config%getFloats('qedge', requiredSize=size(prm%N_sl)) prm%delta_F = config%getFloats('qedge', requiredSize=size(prm%N_sl))
prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%N_sl)) prm%i_sl = config%getFloats('clambdaslip', requiredSize=size(prm%N_sl))
prm%tau_0 = config%getFloats('tau_peierls', requiredSize=size(prm%N_sl)) prm%tau_0 = config%getFloats('tau_peierls', requiredSize=size(prm%N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl), & prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))]) defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
@ -232,12 +231,12 @@ subroutine plastic_disloUCLA_init()
prm%omega = config%getFloats('omega', requiredSize=size(prm%N_sl)) prm%omega = config%getFloats('omega', requiredSize=size(prm%N_sl))
prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl)) prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
prm%D = config%getFloat('grainsize') prm%D = config%getFloat('grainsize')
prm%D0 = config%getFloat('d0') prm%D0 = config%getFloat('d0')
prm%Qsd = config%getFloat('qsd') prm%Q_cl = config%getFloat('qsd')
prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%b_sl prm%D_a = config%getFloat('cedgedipmindistance') * prm%b_sl
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
! expand: family => system ! expand: family => system
prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl) prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
@ -252,21 +251,21 @@ subroutine plastic_disloUCLA_init()
prm%tau_0 = math_expand(prm%tau_0, prm%N_sl) prm%tau_0 = math_expand(prm%tau_0, prm%N_sl)
prm%v0 = math_expand(prm%v0, prm%N_sl) prm%v0 = math_expand(prm%v0, prm%N_sl)
prm%B = math_expand(prm%B, prm%N_sl) prm%B = math_expand(prm%B, prm%N_sl)
prm%clambda = math_expand(prm%clambda, prm%N_sl) prm%i_sl = math_expand(prm%i_sl, prm%N_sl)
prm%atomicVolume = math_expand(prm%atomicVolume, prm%N_sl) prm%atomicVolume = math_expand(prm%atomicVolume, prm%N_sl)
prm%minDipDistance = math_expand(prm%minDipDistance, prm%N_sl) prm%D_a = math_expand(prm%D_a, prm%N_sl)
! sanity checks ! sanity checks
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%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0' if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0' if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0' if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' slipb_sl' if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' slipb_sl'
if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge' if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_0' if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_0'
if (any(prm%minDipDistance <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipb_sl' if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipb_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipb_sl' if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipb_sl'
else slipActive else slipActive
@ -345,8 +344,7 @@ subroutine plastic_disloUCLA_init()
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:) plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
allocate(dst%mfp(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal) allocate(dst%Lambda_sl(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
allocate(dst%dislocationSpacing(prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
allocate(dst%threshold_stress(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal) allocate(dst%threshold_stress(prm%sum_N_sl,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
@ -405,7 +403,7 @@ end subroutine plastic_disloUCLA_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of) subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq0 dEq0
@ -417,7 +415,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
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 T !< temperature
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
@ -428,39 +426,39 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
gdot_pos, gdot_neg,& gdot_pos, gdot_neg,&
tau_pos,& tau_pos,&
tau_neg, & tau_neg, &
DotRhoDipFormation, ClimbVelocity, EdgeDipDistance, & DotRhoDipFormation, v_cl, EdgeDipDistance, &
DotRhoEdgeDipClimb DotRhoEdgeDipClimb
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
call kinetics(Mp,Temperature,instance,of,& call kinetics(Mp,T,instance,of,&
gdot_pos,gdot_neg, & gdot_pos,gdot_neg, &
tau_pos_out = tau_pos,tau_neg_out = tau_neg) tau_pos_out = tau_pos,tau_neg_out = tau_neg)
dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) VacancyDiffusion = prm%D0*exp(-prm%Q_cl/(kB*T))
where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
DotRhoDipFormation = 0.0_pReal DotRhoDipFormation = 0.0_pReal
DotRhoEdgeDipClimb = 0.0_pReal DotRhoEdgeDipClimb = 0.0_pReal
else where else where
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%b_sl)/(16.0_pReal*PI*abs(tau_pos)), & EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%b_sl)/(16.0_pReal*PI*abs(tau_pos)), &
prm%minDipDistance, & ! lower limit prm%D_a, & ! lower limit
dst%mfp(:,of)) ! upper limit dst%Lambda_sl(:,of)) ! upper limit
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%b_sl)* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)), & ! ToDo: ignore region of spontaneous annihilation dotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%b_sl)* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)), & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, & 0.0_pReal, &
prm%dipoleformation) prm%dipoleformation)
ClimbVelocity = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*Temperature)) & v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*T)) &
* (1.0_pReal/(EdgeDipDistance+prm%minDipDistance)) * (1.0_pReal/(EdgeDipDistance+prm%D_a))
DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rho_dip(:,of))/(EdgeDipDistance-prm%minDipDistance) ! ToDo: Discuss with Franz: Stress dependency? dotRhoEdgeDipClimb = (4.0_pReal*v_cl*stt%rho_dip(:,of))/(EdgeDipDistance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
end where end where
dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%b_sl*dst%mfp(:,of)) & ! multiplication dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%b_sl*dst%Lambda_sl(:,of)) & ! multiplication
- DotRhoDipFormation & - DotRhoDipFormation &
- (2.0_pReal*prm%minDipDistance)/prm%b_sl*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) !* Spontaneous annihilation of 2 single edge dislocations - (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) ! Spontaneous annihilation of 2 single edge dislocations
dot%rho_dip(:,of) = DotRhoDipFormation & dot%rho_dip(:,of) = DotRhoDipFormation &
- (2.0_pReal*prm%minDipDistance)/prm%b_sl*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent
- DotRhoEdgeDipClimb - DotRhoEdgeDipClimb
end associate end associate
@ -477,21 +475,22 @@ subroutine plastic_disloUCLA_dependentState(instance,of)
instance, & instance, &
of of
real(pReal), dimension(param(instance)%sum_N_sl) :: &
dislocationSpacing
integer :: & integer :: &
i i
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
forall (i = 1:prm%sum_N_sl) forall (i = 1:prm%sum_N_sl)
dst%dislocationSpacing(i,of) = sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), & dislocationSpacing(i) = sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%forestProjectionEdge(:,i))) prm%forestProjectionEdge(:,i)))
dst%threshold_stress(i,of) = prm%mu*prm%b_sl(i) & dst%threshold_stress(i,of) = prm%mu*prm%b_sl(i) &
* sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), & * sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%h_sl_sl(:,i))) prm%h_sl_sl(:,i)))
end forall end forall
dst%mfp(:,of) = prm%D/(1.0_pReal+prm%D*dst%dislocationSpacing(:,of)/prm%Clambda) dst%Lambda_sl(:,of) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
dst%dislocationSpacing(:,of) = dst%mfp(:,of) ! ToDo: Hack to recover wrong behavior for the moment
end associate end associate
@ -542,7 +541,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
case (gamma_sl_ID) case (gamma_sl_ID)
postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of) postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of)
case (Lambda_sl_ID) case (Lambda_sl_ID)
postResults(c+1:c+prm%sum_N_sl) = dst%mfp(1:prm%sum_N_sl, of) postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl, of)
case (thresholdstress_ID) case (thresholdstress_ID)
postResults(c+1:c+prm%sum_N_sl) = dst%threshold_stress(1:prm%sum_N_sl,of) postResults(c+1:c+prm%sum_N_sl) = dst%threshold_stress(1:prm%sum_N_sl,of)
@ -638,7 +637,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
associate(BoltzmannRatio => prm%delta_F/(kB*Temperature), & associate(BoltzmannRatio => prm%delta_F/(kB*Temperature), &
DotGamma0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, & DotGamma0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
effectiveLength => dst%mfp(:,of) - prm%w) effectiveLength => dst%Lambda_sl(:,of) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0 StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0