diff --git a/src/plastic_disloUCLA.f90 b/src/plastic_disloUCLA.f90 index de06d1863..19d5de6f9 100644 --- a/src/plastic_disloUCLA.f90 +++ b/src/plastic_disloUCLA.f90 @@ -58,7 +58,8 @@ module plastic_disloUCLA kink_height, & !< height of the kink pair w, & !< width of the kink pair omega, & !< attempt frequency for kink pair nucleation - tau_Peierls + tau_Peierls, & + tau0 real(pReal), allocatable, dimension(:,:) :: & interaction_SlipSlip, & !< slip resistance from slip activity forestProjectionEdge @@ -110,7 +111,6 @@ module plastic_disloUCLA private :: & kinetics - contains !-------------------------------------------------------------------------------------------------- @@ -226,7 +226,7 @@ subroutine plastic_disloUCLA_init() prm%H0kp = config_phase(p)%getFloats('qedge', 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), & defaultVal=[(1.0_pReal,i=1_pInt,size(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%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%D0 = config_phase(p)%getFloat('d0') prm%Qsd = config_phase(p)%getFloat('qsd') @@ -260,6 +260,9 @@ subroutine plastic_disloUCLA_init() prm%clambda = math_expand(prm%clambda, prm%Nslip) prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip) prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip) + + prm%tau0 = prm%tau_peierls + prm%SolidSolutionStrength + ! sanity checks 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 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) - StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of)) & - / (prm%solidSolutionStrength+prm%tau_Peierls) + StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of))/prm%tau0 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%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%w )**2.0_pReal) & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) & - ) + * effectiveLength * tau_slip_pos * needsGoodName & + / ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos & + + prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName & + ) gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos) * 0.5_pReal else where significantPositiveTau @@ -669,42 +667,23 @@ pure subroutine kinetics(Mp,Temperature,instance,of, & 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%w ) & - * ( & - (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%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%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 & - ) + dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength & + * ( & + (needsGoodName + tau_slip_pos * abs(needsGoodName)*BoltzmannRatio*prm%p & + * prm%q/prm%tau0 & + * 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* effectiveLength **2.0_pReal* needsGoodName & + ) & + - tau_slip_pos * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal & + + prm%omega * prm%B *effectiveLength **2.0_pReal& + * (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 & + *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* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal else where significantPositiveTau2 @@ -713,22 +692,16 @@ pure subroutine kinetics(Mp,Temperature,instance,of, & 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 = (abs(tau_slip_neg)-dst%threshold_stress(:,of))/prm%tau0 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%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%w )**2.0_pReal) & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) & - ) + * effectiveLength * tau_slip_neg * needsGoodName & + / ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg & + + prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName & + ) gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg) * 0.5_pReal else where significantNegativeTau @@ -737,43 +710,24 @@ pure subroutine kinetics(Mp,Temperature,instance,of, & 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%w ) & - * ( & - (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%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%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 & - ) - + dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength & + * ( & + (needsGoodName + tau_slip_neg * abs(needsGoodName)*BoltzmannRatio*prm%p & + * prm%q/prm%tau0 & + * 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* effectiveLength **2.0_pReal* needsGoodName & + ) & + - tau_slip_neg * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal & + + prm%omega * prm%B *effectiveLength **2.0_pReal& + * (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 & + *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* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal + dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal else where significantNegativeTau2 dgdot_dtauslip_neg = 0.0_pReal