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This commit is contained in:
Martin Diehl 2018-12-21 17:04:26 +01:00
parent 939cd0e5bf
commit 2d47af7f56
1 changed files with 54 additions and 100 deletions
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154
src/plastic_disloUCLA.f90
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@ -58,7 +58,8 @@ module plastic_disloUCLA
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 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
@ -110,7 +111,6 @@ module plastic_disloUCLA
private :: & private :: &
kinetics kinetics
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -226,7 +226,7 @@ subroutine plastic_disloUCLA_init()
prm%H0kp = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip)) prm%H0kp = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip))
prm%clambda = config_phase(p)%getFloats('clambdaslip', requiredShape=shape(prm%Nslip)) prm%clambda = config_phase(p)%getFloats('clambdaslip', requiredShape=shape(prm%Nslip))
prm%tau_Peierls = config_phase(p)%getFloats('tau_peierls', requiredShape=shape(prm%Nslip)) prm%tau_Peierls = config_phase(p)%getFloats('tau_peierls', requiredShape=shape(prm%Nslip)) ! ToDo: Deprecated
prm%p = config_phase(p)%getFloats('p_slip', requiredShape=shape(prm%Nslip), & prm%p = config_phase(p)%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_phase(p)%getFloats('q_slip', requiredShape=shape(prm%Nslip), &
@ -236,7 +236,7 @@ subroutine plastic_disloUCLA_init()
prm%omega = config_phase(p)%getFloats('omega', 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)) prm%B = config_phase(p)%getFloats('friction_coeff', requiredShape=shape(prm%Nslip))
prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') ! ToDo: Deprecated
prm%grainSize = config_phase(p)%getFloat('grainsize') prm%grainSize = config_phase(p)%getFloat('grainsize')
prm%D0 = config_phase(p)%getFloat('d0') prm%D0 = config_phase(p)%getFloat('d0')
prm%Qsd = config_phase(p)%getFloat('qsd') prm%Qsd = config_phase(p)%getFloat('qsd')
@ -260,6 +260,9 @@ subroutine plastic_disloUCLA_init()
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%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip)
prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip) prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip)
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'
@ -642,25 +645,20 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(tau_slip_neg1)) tau_slip_neg1 = tau_slip_neg if (present(tau_slip_neg1)) tau_slip_neg1 = tau_slip_neg
associate(BoltzmannRatio => prm%H0kp/(kB*Temperature), & associate(BoltzmannRatio => prm%H0kp/(kB*Temperature), &
DotGamma0 => stt%rhoEdge(:,of)*prm%burgers*prm%v0) DotGamma0 => stt%rhoEdge(:,of)*prm%burgers*prm%v0, &
effectiveLength => dst%mfp(:,of) - prm%w)
significantPositiveTau: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of)) & StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of))/prm%tau0
/ (prm%solidSolutionStrength+prm%tau_Peierls)
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega & vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%w ) & * effectiveLength * tau_slip_pos * needsGoodName &
* (tau_slip_pos & / ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) & + prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName &
/ ( & )
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)
gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos) * 0.5_pReal gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos) * 0.5_pReal
else where significantPositiveTau else where significantPositiveTau
@ -669,42 +667,23 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(dgdot_dtauslip_pos)) then if (present(dgdot_dtauslip_pos)) then
significantPositiveTau2: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check) 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 & dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength &
* ( dst%mfp(:,of) - prm%w ) & * ( &
* ( & (needsGoodName + tau_slip_pos * abs(needsGoodName)*BoltzmannRatio*prm%p &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) & * prm%q/prm%tau0 &
+ tau_slip_pos & * StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))& ) &
*BoltzmannRatio*prm%p& * ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
*prm%q/& + prm%omega * prm%B* effectiveLength **2.0_pReal* needsGoodName &
(prm%solidSolutionStrength+prm%tau_Peierls)*& ) &
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) & - tau_slip_pos * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
) & + prm%omega * prm%B *effectiveLength **2.0_pReal&
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos & * (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 &
+ prm%omega * prm%B & *StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) & ) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) & ) &
) & /(2.0_pReal*prm%burgers**2.0_pReal*tau_slip_pos &
- (tau_slip_pos & + prm%omega * prm%B* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
* (2.0_pReal*(prm%burgers**2.0_pReal) &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%w )**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%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal
else where significantPositiveTau2 else where significantPositiveTau2
@ -713,22 +692,16 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
endif endif
significantNegativeTau: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check) significantNegativeTau: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_slip_neg)-dst%threshold_stress(:,of)) & StressRatio = (abs(tau_slip_neg)-dst%threshold_stress(:,of))/prm%tau0
/ (prm%solidSolutionStrength+prm%tau_Peierls)
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega & vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
* ( dst%mfp(:,of) - prm%w ) & * effectiveLength * tau_slip_neg * needsGoodName &
* (tau_slip_neg & / ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) & + prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName &
/ ( & )
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)
gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg) * 0.5_pReal gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg) * 0.5_pReal
else where significantNegativeTau else where significantNegativeTau
@ -737,43 +710,24 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
if (present(dgdot_dtauslip_neg)) then if (present(dgdot_dtauslip_neg)) then
significantNegativeTau2: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check) 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 & dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength &
* ( dst%mfp(:,of) - prm%w ) & * ( &
* ( & (needsGoodName + tau_slip_neg * abs(needsGoodName)*BoltzmannRatio*prm%p &
(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) & * prm%q/prm%tau0 &
+ tau_slip_neg & * StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) &
* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))& ) &
*BoltzmannRatio*prm%p& * ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
*prm%q/& + prm%omega * prm%B* effectiveLength **2.0_pReal* needsGoodName &
(prm%solidSolutionStrength+prm%tau_Peierls)*& ) &
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) & - tau_slip_neg * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
) & + prm%omega * prm%B *effectiveLength **2.0_pReal&
* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg & * (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 &
+ prm%omega * prm%B & *StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
*(( dst%mfp(:,of) - prm%w )**2.0_pReal) & ) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) & ) &
) & /(2.0_pReal*prm%burgers**2.0_pReal*tau_slip_neg &
- (tau_slip_neg & + prm%omega * prm%B* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
* (2.0_pReal*(prm%burgers**2.0_pReal) &
+ prm%omega * prm%B &
*(( dst%mfp(:,of) - prm%w )**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%w )**2.0_pReal) &
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
)**2.0_pReal &
)
dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal
else where significantNegativeTau2 else where significantNegativeTau2
dgdot_dtauslip_neg = 0.0_pReal dgdot_dtauslip_neg = 0.0_pReal