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cleaning and simplifying

This commit is contained in:
Martin Diehl 2018-12-21 12:46:43 +01:00
parent 2e8072b768
commit 24ddd8362d
1 changed files with 115 additions and 116 deletions
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231
src/plastic_disloUCLA.f90
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@ -90,6 +90,7 @@ module plastic_disloUCLA
type, private :: tDisloUCLAdependentState
real(pReal), allocatable, dimension(:,:) :: &
mfp, &
dislocationSpacing, &
threshold_stress
end type tDisloUCLAdependentState
@ -382,6 +383,7 @@ subroutine plastic_disloUCLA_init()
allocate(dst%mfp(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)
@ -402,20 +404,18 @@ subroutine plastic_disloUCLA_dependentState(instance,of)
integer(pInt) :: &
i
real(pReal), dimension(param(instance)%totalNslip) :: &
dislocationSpacing ! 1/mean free distance between 2 forest dislocations seen by a moving dislocation
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
forall (i = 1_pInt:prm%totalNslip)
dislocationSpacing(i) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
dst%dislocationSpacing(i,of) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
prm%forestProjectionEdge(:,i)))
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) &
* sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
prm%interaction_SlipSlip(i,:)))
end forall
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dislocationSpacing/prm%Clambda)
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
end associate
@ -471,7 +471,7 @@ subroutine plastic_disloUCLA_dotState(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
integer(pInt), intent(in) :: &
@ -492,12 +492,11 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg)
dot%whole(:,of) = 0.0_pReal
dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg)
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))
EdgeDipDistance = dst%mfp(:,of) !ToDo MD@FR: correct? was not handled properly before
DotRhoDipFormation = 0.0_pReal
DotRhoEdgeDipClimb = 0.0_pReal
else where
@ -517,7 +516,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
- (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
- (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
@ -603,8 +602,8 @@ pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
tol_math_check, &
dEq, dNeq0
use math, only: &
pi, &
math_mul33xx33
PI, &
math_mul33xx33
implicit none
type(tParameters), intent(in) :: &
@ -637,132 +636,132 @@ math_mul33xx33
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)
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)
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* (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) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)
gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos) * 0.5_pReal
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
+ tau_slip_pos &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) &
) &
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**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) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
) &
) &
/ ( &
( &
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* (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) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal
else where significantPositiveTau
gdot_slip_pos = 0.0_pReal
dgdot_dtauslip_pos = 0.0_pReal
end where significantPositiveTau
gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos) * 0.5_pReal
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)
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
+ tau_slip_pos &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) &
) &
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**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) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
) &
) &
/ ( &
( &
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* (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) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)
dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal
else where significantPositiveTau
gdot_slip_pos = 0.0_pReal
dgdot_dtauslip_pos = 0.0_pReal
end where significantPositiveTau
gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg) * 0.5_pReal
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)
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
+ tau_slip_neg &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) &
) &
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**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) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
) &
) &
/ ( &
( &
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* (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) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg) * 0.5_pReal
dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal
else where significantNegativeTau
gdot_slip_neg = 0.0_pReal
dgdot_dtauslip_neg = 0.0_pReal
end where significantNegativeTau
dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%kink_width ) &
* ( &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
+ tau_slip_neg &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) &
) &
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**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) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
*BoltzmannRatio*prm%p&
*prm%q/&
(prm%solidSolutionStrength+prm%tau_Peierls)*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
) &
) &
/ ( &
( &
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal
else where significantNegativeTau
gdot_slip_neg = 0.0_pReal
dgdot_dtauslip_neg = 0.0_pReal
end where significantNegativeTau
end subroutine kinetics
end module plastic_disloUCLA