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cleaning/adjusting names to paper

This commit is contained in:
Martin Diehl 2018-12-21 16:01:16 +01:00
parent da3f105875
commit 939cd0e5bf
1 changed files with 71 additions and 62 deletions
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133
src/plastic_disloUCLA.f90
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@ -42,21 +42,21 @@ module plastic_disloUCLA
D0, & !< prefactor for self-diffusion coefficient
Qsd !< activation energy for dislocation climb
real(pReal), allocatable, dimension(:) :: &
rho0, & !< initial edge dislocation density per slip system for each family and instance
rhoDip0, & !< initial edge dipole density per slip system for each family and instance
burgers, & !< absolute length of burgers vector [m] for each slip system and instance
rho0, & !< initial edge dislocation density
rhoDip0, & !< initial edge dipole density
burgers, & !< absolute length of burgers vector [m]
nonSchmidCoeff, &
minDipDistance, &
CLambda, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance
CLambda, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, &
!* mobility law parameters
H0kp, & !< activation energy for glide [J] for each slip system and instance
v0, & !< dislocation velocity prefactor [m/s] for each family and instance
H0kp, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s]
p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity
B, & !< friction coefficient
kink_height, & !< height of the kink pair
kink_width, & !< width of the kink pair
w, & !< width of the kink pair
omega, & !< attempt frequency for kink pair nucleation
tau_Peierls
real(pReal), allocatable, dimension(:,:) :: &
@ -113,7 +113,6 @@ module plastic_disloUCLA
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
@ -233,7 +232,7 @@ subroutine plastic_disloUCLA_init()
prm%q = config_phase(p)%getFloats('q_slip', requiredShape=shape(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_width = config_phase(p)%getFloats('kink_width', requiredShape=shape(prm%Nslip))
prm%w = config_phase(p)%getFloats('kink_width', requiredShape=shape(prm%Nslip))
prm%omega = config_phase(p)%getFloats('omega', requiredShape=shape(prm%Nslip))
prm%B = config_phase(p)%getFloats('friction_coeff', requiredShape=shape(prm%Nslip))
@ -253,7 +252,7 @@ subroutine plastic_disloUCLA_init()
prm%H0kp = math_expand(prm%H0kp, prm%Nslip)
prm%burgers = math_expand(prm%burgers, prm%Nslip)
prm%kink_height = math_expand(prm%kink_height, prm%Nslip)
prm%kink_width = math_expand(prm%kink_width, prm%Nslip)
prm%w = math_expand(prm%w, prm%Nslip)
prm%omega = math_expand(prm%omega, prm%Nslip)
prm%tau_Peierls = math_expand(prm%tau_Peierls, prm%Nslip)
prm%v0 = math_expand(prm%v0, prm%Nslip)
@ -386,8 +385,7 @@ subroutine plastic_disloUCLA_init()
allocate(dst%dislocationSpacing(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
enddo
@ -416,6 +414,8 @@ subroutine plastic_disloUCLA_dependentState(instance,of)
end forall
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
dst%dislocationSpacing(:,of) = dst%mfp(:,of) ! ToDo: Hack to recover wrong behavior for the moment
end associate
@ -428,24 +428,29 @@ end subroutine plastic_disloUCLA_dependentState
pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of)
implicit none
integer(pInt), intent(in) :: instance, of
real(pReal), intent(in) :: Temperature
real(pReal), dimension(3,3), intent(in) :: Mp
real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
real(pReal), dimension(3,3), intent(out) :: &
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp
real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
temperature !< temperature
integer(pInt), intent(in) :: &
instance, of
integer(pInt) :: i,k,l,m,n
real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(instance))
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
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)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
@ -453,6 +458,7 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
+ dgdot_dtauslip_pos(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_pos(m,n,i) &
+ dgdot_dtauslip_neg(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_neg(m,n,i)
enddo slipSystems
end associate
end subroutine plastic_disloUCLA_LpAndItsTangent
@ -473,7 +479,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
temperature !< temperature at integration point
temperature !< temperature
integer(pInt), intent(in) :: &
instance, of
@ -483,43 +489,42 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
gdot_slip_pos, gdot_slip_neg,&
tau_slip_pos,&
tau_slip_neg, &
dgdot_dtauslip_neg,dgdot_dtauslip_pos,DotRhoDipFormation, ClimbVelocity, EdgeDipDistance, &
DotRhoDipFormation, ClimbVelocity, EdgeDipDistance, &
DotRhoEdgeDipClimb
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg,tau_slip_pos,tau_slip_neg)
call kinetics(Mp,Temperature,instance,of,&
gdot_slip_pos,gdot_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
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
where(dEq0(tau_slip_pos))
where(dEq0(tau_slip_pos)) ! ToDo: use avg of pos and neg
DotRhoDipFormation = 0.0_pReal
DotRhoEdgeDipClimb = 0.0_pReal
else where
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%burgers)/(16.0_pReal*PI*abs(tau_slip_pos)), &
prm%minDipDistance, & ! lower limit
dst%mfp(:,of)) ! upper limit
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)), &
prm%minDipDistance, & ! lower limit
dst%mfp(:,of)) ! upper limit
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)), & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, &
prm%dipoleformation)
ClimbVelocity = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*Temperature)) &
* (1.0_pReal/(EdgeDipDistance+prm%minDipDistance))
DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(:,of))/(EdgeDipDistance-prm%minDipDistance)
DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(:,of))/(EdgeDipDistance-prm%minDipDistance) ! ToDo: Discuss with Franz: Stress dependency?
end where
dot%rhoEdge(:,of) = abs(dot%accshear_slip(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication
dot%rhoEdge(:,of) = abs(dot%accshear_slip(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication
- DotRhoDipFormation &
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdge(:,of)*abs(dot%accshear_slip(:,of)) !* Spontaneous annihilation of 2 single edge dislocations
dot%rhoEdgeDip(:,of) = DotRhoDipFormation &
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdgeDip(:,of)*abs(dot%accshear_slip(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent
- DotRhoEdgeDipClimb
end associate
end associate
end subroutine plastic_disloUCLA_dotState
@ -538,7 +543,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
Temperature !< Mandel stress
temperature !< temperature
integer(pInt), intent(in) :: &
instance, &
of
@ -549,8 +554,8 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
integer(pInt) :: &
o,c,i
real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,dgdot_dtauslip_pos, &
gdot_slip_neg,dgdot_dtauslip_neg
gdot_slip_pos, &
gdot_slip_neg
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
@ -565,8 +570,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
case (rhoDip_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)
case (shearrate_ID)
call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
call kinetics(Mp,Temperature,instance,of,gdot_slip_pos,gdot_slip_neg)
postResults(c+1:c+prm%totalNslip) = gdot_slip_pos + gdot_slip_neg
case (accumulatedshear_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip, of)
@ -574,7 +578,7 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
postResults(c+1_pInt:c+prm%totalNslip) = dst%mfp(1_pInt:prm%totalNslip, of)
case (thresholdstress_ID)
postResults(c+1_pInt:c+prm%totalNslip) = dst%threshold_stress(1_pInt:prm%totalNslip,of)
case (dipoleDistance_ID)
case (dipoleDistance_ID) ! ToDo: Discuss required changes with Franz
do i = 1_pInt, prm%totalNslip
if (dNeq0(abs(math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i))))) then
postResults(c+i) = (3.0_pReal*prm%mu*prm%burgers(i)) &
@ -607,9 +611,9 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
Mp !< Mandel stress
real(pReal), intent(in) :: &
temperature !< temperature at integration point
temperature !< temperature
integer(pInt), intent(in) :: &
of, instance
@ -620,12 +624,13 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: &
dgdot_dtauslip_pos,tau_slip_pos1,dgdot_dtauslip_neg,tau_slip_neg1
real(pReal), dimension(param(instance)%totalNslip) :: &
StressRatio, BoltzmannRatio, &
StressRatio, &
StressRatio_p,StressRatio_pminus1, &
DotGamma0, dvel_slip, vel_slip, &
tau_slip_pos,tau_slip_neg
dvel_slip, vel_slip, &
tau_slip_pos,tau_slip_neg, &
needsGoodName ! ToDo: @Karo: any idea?
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do j = 1_pInt, prm%totalNslip
tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
@ -636,23 +641,24 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(tau_slip_pos1)) tau_slip_pos1 = tau_slip_pos
if (present(tau_slip_neg1)) tau_slip_neg1 = tau_slip_neg
BoltzmannRatio = prm%H0kp/(kB*Temperature)
DotGamma0 = stt%rhoEdge(:,of)*prm%burgers*prm%v0
associate(BoltzmannRatio => prm%H0kp/(kB*Temperature), &
DotGamma0 => stt%rhoEdge(:,of)*prm%burgers*prm%v0)
significantPositiveTau: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of)) &
/ (prm%solidSolutionStrength+prm%tau_Peierls)
StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( dst%mfp(:,of) - prm%w ) &
* (tau_slip_pos &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
/ ( &
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)
@ -661,9 +667,10 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos = 0.0_pReal
end where significantPositiveTau
if (present(dgdot_dtauslip_pos)) then
significantPositiveTau2: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check)
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( dst%mfp(:,of) - prm%w ) &
* ( &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
+ tau_slip_pos &
@ -675,14 +682,14 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
) &
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
) &
- (tau_slip_pos &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
* (2.0_pReal*(prm%burgers**2.0_pReal) &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
@ -694,7 +701,7 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
( &
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
@ -703,21 +710,23 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
else where significantPositiveTau2
dgdot_dtauslip_pos = 0.0_pReal
end where significantPositiveTau2
endif
significantNegativeTau: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_slip_neg)-dst%threshold_stress(:,of)) &
/ (prm%solidSolutionStrength+prm%tau_Peierls)
StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( dst%mfp(:,of) - prm%w ) &
* (tau_slip_neg &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
/ ( &
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)
@ -726,9 +735,10 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
gdot_slip_neg = 0.0_pReal
end where significantNegativeTau
if (present(dgdot_dtauslip_neg)) then
significantNegativeTau2: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check)
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( dst%mfp(:,of) - prm%w ) &
* ( &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
+ tau_slip_neg &
@ -740,14 +750,14 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
) &
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
) &
- (tau_slip_neg &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
* (2.0_pReal*(prm%burgers**2.0_pReal) &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
@ -759,20 +769,19 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
( &
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal
else where significantNegativeTau2
dgdot_dtauslip_neg = 0.0_pReal
end where significantNegativeTau2
end if
end associate
end associate
end subroutine kinetics
end module plastic_disloUCLA