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cleaner interface to kinetics

This commit is contained in:
Martin Diehl 2018-12-21 13:02:51 +01:00
parent 24ddd8362d
commit da3f105875
1 changed files with 39 additions and 28 deletions
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67
src/plastic_disloUCLA.f90
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@ -437,15 +437,15 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
integer(pInt) :: i,k,l,m,n integer(pInt) :: i,k,l,m,n
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,gdot_slip_neg,tau_slip_pos,tau_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg 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), stt => state(instance), dst => dependentState(instance))
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dMp = 0.0_pReal dLp_dMp = 0.0_pReal
call kinetics(prm,stt,dst,Mp,Temperature,of, & call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
slipSystems: do i = 1_pInt, prm%totalNslip 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) 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) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
@ -488,8 +488,8 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
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(prm,stt,dst,Mp,Temperature,of, & call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg,tau_slip_pos,tau_slip_neg)
dot%whole(:,of) = 0.0_pReal dot%whole(:,of) = 0.0_pReal
dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg) ! ToDo: needs to be abs dot%accshear_slip(:,of) = (gdot_slip_pos+gdot_slip_neg) ! ToDo: needs to be abs
@ -549,8 +549,8 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
integer(pInt) :: & integer(pInt) :: &
o,c,i o,c,i
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos, & gdot_slip_pos,dgdot_dtauslip_pos, &
gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg gdot_slip_neg,dgdot_dtauslip_neg
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
@ -565,8 +565,8 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
case (rhoDip_ID) case (rhoDip_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)
case (shearrate_ID) case (shearrate_ID)
call kinetics(prm,stt,dst,Mp,Temperature,of, & call kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
postResults(c+1:c+prm%totalNslip) = gdot_slip_pos + gdot_slip_neg postResults(c+1:c+prm%totalNslip) = gdot_slip_pos + gdot_slip_neg
case (accumulatedshear_ID) case (accumulatedshear_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip, of) postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip, of)
@ -596,8 +596,8 @@ end function plastic_disloUCLA_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, & pure subroutine kinetics(Mp,Temperature,instance,of, &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg) gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg,tau_slip_pos1,tau_slip_neg1)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq, dNeq0 dEq, dNeq0
@ -606,33 +606,36 @@ pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
math_mul33xx33 math_mul33xx33
implicit none implicit none
type(tParameters), intent(in) :: &
prm
type(tDisloUCLAState), intent(in) :: &
stt
type(tDisloUCLAdependentState), intent(in) :: &
dst
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature at integration point temperature !< temperature at integration point
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
of of, instance
integer(pInt) :: & integer(pInt) :: &
j j
real(pReal), intent(out), dimension(prm%totalNslip) :: & real(pReal), intent(out), dimension(param(instance)%totalNslip) :: &
gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg gdot_slip_pos,gdot_slip_neg
real(pReal), dimension(prm%totalNslip) :: & 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, BoltzmannRatio, &
StressRatio_p,StressRatio_pminus1, & StressRatio_p,StressRatio_pminus1, &
DotGamma0, dvel_slip, vel_slip DotGamma0, dvel_slip, vel_slip, &
tau_slip_pos,tau_slip_neg
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
do j = 1_pInt, prm%totalNslip do j = 1_pInt, prm%totalNslip
tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j)) tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j)) tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
enddo enddo
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) BoltzmannRatio = prm%H0kp/(kB*Temperature)
DotGamma0 = stt%rhoEdge(:,of)*prm%burgers*prm%v0 DotGamma0 = stt%rhoEdge(:,of)*prm%burgers*prm%v0
@ -654,7 +657,11 @@ pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
) )
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
gdot_slip_pos = 0.0_pReal
end where significantPositiveTau
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 &
* ( dst%mfp(:,of) - prm%kink_width ) & * ( dst%mfp(:,of) - prm%kink_width ) &
* ( & * ( &
@ -693,10 +700,9 @@ pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
) )
dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal dgdot_dtauslip_pos = DotGamma0 * dvel_slip* 0.5_pReal
else where significantPositiveTau else where significantPositiveTau2
gdot_slip_pos = 0.0_pReal
dgdot_dtauslip_pos = 0.0_pReal dgdot_dtauslip_pos = 0.0_pReal
end where significantPositiveTau end where significantPositiveTau2
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)) &
@ -716,7 +722,11 @@ pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
) )
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
gdot_slip_neg = 0.0_pReal
end where significantNegativeTau
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 &
* ( dst%mfp(:,of) - prm%kink_width ) & * ( dst%mfp(:,of) - prm%kink_width ) &
* ( & * ( &
@ -756,10 +766,11 @@ pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal dgdot_dtauslip_neg = DotGamma0 * dvel_slip * 0.5_pReal
else where significantNegativeTau else where significantNegativeTau2
gdot_slip_neg = 0.0_pReal
dgdot_dtauslip_neg = 0.0_pReal dgdot_dtauslip_neg = 0.0_pReal
end where significantNegativeTau end where significantNegativeTau2
end associate
end subroutine kinetics end subroutine kinetics