more cleaning

This commit is contained in:
Martin Diehl 2018-08-31 16:36:19 +02:00
parent 7a67922c5f
commit ea1fd621aa
1 changed files with 61 additions and 71 deletions

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@ -1188,17 +1188,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
integer(pInt) :: instance,ph,of,j,k,l,m,n,s1,s2
real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,&
StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, &
StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, &
Ndot0_trans,StressRatio_s, &
tau_twin, tau_trans, &
gdot_twin,dgdot_dtautwin, &
gdot_trans,dgdot_dtautrans, &
dgdot_dtauslip, &
tau_slip
dgdot_dtau, &
tau
real(pReal), dimension(3,3,3,3) :: dLp_dS
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: &
gdot_slip
real(pReal):: gdot_sb,dgdot_dtausb,tau_sb
real(pReal):: gdot_sb,gdot_twin,gdot_trans
real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix
real(pReal), dimension(3) :: eigValues, sb_s, sb_m
logical :: error
@ -1241,31 +1238,30 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
!--------------------------------------------------------------------------------------------------
! Dislocation glide part
slipSystems: do j = 1_pInt, prm%totalNslip
tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))
tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))
significantSlipStress: if((abs(tau_slip)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then
stressRatio =((abs(tau_slip)- state(instance)%threshold_stress_slip(j,of))/&
significantSlipStress: if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then
stressRatio =((abs(tau)- state(instance)%threshold_stress_slip(j,of))/&
(prm%SolidSolutionStrength+prm%tau_peierls(j)))
StressRatio_p = stressRatio** prm%p(j)
StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful
BoltzmannRatio = prm%Qedge(j)/(kB*Temperature)
DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j)
gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip)
gdot_slip(j) = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) &
* sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau)
!* Derivatives of shear rates
dgdot_dtauslip = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) &
dgdot_dtau = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) &
/ (prm%SolidSolutionStrength+prm%tau_peierls(j)) &
* StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal)
else significantSlipStress
gdot_slip(j) = 0.0_pReal
dgdot_dtauslip = 0.0_pReal
dgdot_dtau = 0.0_pReal
endif significantSlipStress
Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) &
+ dgdot_dtauslip * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j)
+ dgdot_dtau * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j)
enddo slipSystems
!--------------------------------------------------------------------------------------------------
@ -1276,12 +1272,13 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
!* Total transformed volume fraction
sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + &
sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of))
Lp = Lp * (1.0_pReal - sumf - sumftr)
Lp = Lp * (1.0_pReal - sumf - sumftr)
dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr)
!--------------------------------------------------------------------------------------------------
! Shear banding (shearband) part
if(dNeq0(prm%sbVelocity)) then
BoltzmannRatio = prm%sbQedge/(kB*Temperature)
call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error)
do j = 1_pInt,6_pInt
sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j))
@ -1291,76 +1288,72 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
!* Calculation of Lp
!* Resolved shear stress on shear banding system
tau_sb = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el))
tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el))
!* Stress ratios
if (abs(tau_sb) < tol_math_check) then
if (abs(tau) < tol_math_check) then
StressRatio_p = 0.0_pReal
StressRatio_pminus1 = 0.0_pReal
else
StressRatio_p = (abs(tau_sb)/prm%sbResistance)**prm%pShearBand
StressRatio_pminus1 = (abs(tau_sb)/prm%sbResistance)**(prm%pShearBand-1.0_pReal)
StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand
StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal)
endif
BoltzmannRatio = prm%sbQedge/(kB*Temperature)
gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau_sb)
dgdot_dtausb = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) &
* StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal)
gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau)
dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) &
* StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal)
Lp = Lp + gdot_sb*sb_Smatrix
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) &
+ dgdot_dtausb * sb_Smatrix(k,l) * sb_Smatrix(m,n)
+ dgdot_dtau * sb_Smatrix(k,l) * sb_Smatrix(m,n)
enddo
end if
twinSystems: do j = 1_pInt, prm%totalNtwin
tau_twin = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j))
significantTwinStress: if (tau_twin > tol_math_check) then
StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin)**prm%r(j)
tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j))
significantTwinStress: if (tau > tol_math_check) then
StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau)**prm%r(j)
isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then
s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau_twin < tau_r_twin(j,instance)) then
Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct?
if (tau < tau_r_twin(j,instance)) then
Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(prm%L0_twin*prm%burgers_slip(j))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau_twin)))
(tau_r_twin(j,instance)-tau)))
else
Ndot0_twin=0.0_pReal
end if
else isFCCtwin
Ndot0_twin=prm%Ndot0_twin(j)
endif isFCCtwin
gdot_twin = (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*&
state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r)
dgdot_dtautwin = ((gdot_twin*prm%r(j))/tau_twin)*StressRatio_r
gdot_twin = (1.0_pReal-sumf-sumftr)* prm%shear_twin(j) * state(instance)%twinVolume(j,of) &
* Ndot0_twin*exp(-StressRatio_r)
dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r
else significantTwinStress
gdot_twin = 0.0_pReal
dgdot_dtautwin = 0.0_pReal
dgdot_dtau = 0.0_pReal
endif significantTwinStress
Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,j)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) &
+ dgdot_dtautwin* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j)
+ dgdot_dtau* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j)
enddo twinSystems
transSystems: do j = 1_pInt, prm%totalNtrans
tau_trans = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j))
significantTransStress: if (tau_trans > tol_math_check) then
StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans)**prm%s(j)
tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j))
significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau)**prm%s(j)
isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then
s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau_trans < tau_r_trans(j,instance)) then
if (tau < tau_r_trans(j,instance)) then
Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(prm%L0_trans*prm%burgers_slip(j))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_trans(j,instance)-tau_trans)))
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(tau_r_trans(j,instance)-tau)))
else
Ndot0_trans=0.0_pReal
end if
@ -1369,17 +1362,16 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature
endif isFCCtrans
gdot_trans = (1.0_pReal-sumf-sumftr)* state(instance)%martensiteVolume(j,of) &
* Ndot0_trans*exp(-StressRatio_s)
dgdot_dtautrans = ((gdot_trans*prm%s(j))/tau_trans)*StressRatio_s
dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s
else significantTransStress
gdot_trans = 0.0_pReal
dgdot_dtautrans = 0.0_pReal
dgdot_dtau = 0.0_pReal
endif significantTransStress
Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) &
+ dgdot_dtautrans * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j)
+ dgdot_dtau * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j)
enddo transSystems
end associate
@ -1422,13 +1414,11 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
integer(pInt) :: instance,j,s1,s2, &
ph, &
of
real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,DotGamma0,&
real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,&
EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,&
Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, &
DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, &
tau_twin, &
tau_trans, &
tau_slip
tau
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: &
gdot_slip
@ -1454,25 +1444,25 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of))
slipSystems: do j = 1_pInt, prm%totalNslip
tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))
significantSlipStress1: if((abs(tau_slip)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then
stressRatio =((abs(tau_slip)- state(instance)%threshold_stress_slip(j,of))/&
tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))
significantSlipStress1: if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then
stressRatio =((abs(tau)- state(instance)%threshold_stress_slip(j,of))/&
(prm%SolidSolutionStrength+prm%tau_peierls(j)))
StressRatio_p = stressRatio** prm%p(j)
BoltzmannRatio = prm%Qedge(j)/(kB*Temperature)
DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j)
gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j))*sign(1.0_pReal,tau_slip)
gdot_slip(j) = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*prm%v0(j) &
* sign(exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j)),tau)
else significantSlipStress1
gdot_slip(j) = 0.0_pReal
endif significantSlipStress1
DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of))
EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j)
significantSlipStress2: if (dEq0(tau_slip)) then
significantSlipStress2: if (dEq0(tau)) then
DotRhoDipFormation = 0.0_pReal
else significantSlipStress2
EdgeDipDistance = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/&
(16.0_pReal*PI*abs(tau_slip))
(16.0_pReal*PI*abs(tau))
if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of)
if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance=EdgeDipMinDistance
DotRhoDipFormation = ((2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance))/prm%burgers_slip(j))*&
@ -1489,7 +1479,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
!* Dislocation dipole climb
AtomicVolume = prm%CAtomicVolume*prm%burgers_slip(j)**(3.0_pReal) ! no need to calculate this over and over again
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
if (dEq0(tau_slip)) then
if (dEq0(tau)) then
DotRhoEdgeDipClimb = 0.0_pReal
else
if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then
@ -1507,17 +1497,17 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
enddo slipSystems
twinSystems: do j = 1_pInt, prm%totalNtwin
tau_twin = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))
significantTwinStress: if (tau_twin > tol_math_check) then
StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin)**prm%r(j)
tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j))
significantTwinStress: if (tau > tol_math_check) then
StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau)**prm%r(j)
isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then
s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau_twin < tau_r_twin(j,instance)) then
if (tau < tau_r_twin(j,instance)) then
Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_twin(j,instance)-tau_twin)))
(tau_r_twin(j,instance)-tau)))
else
Ndot0_twin=0.0_pReal
end if
@ -1531,17 +1521,17 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el)
enddo twinSystems
transSystems: do j = 1_pInt, prm%totalNtrans
tau_trans = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j))
significantTransStress: if (tau_trans > tol_math_check) then
StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans)**prm%s(j)
tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j))
significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau)**prm%s(j)
isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then
s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau_trans < tau_r_trans(j,instance)) then
if (tau < tau_r_trans(j,instance)) then
Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/&
(prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(tau_r_trans(j,instance)-tau_trans)))
(tau_r_trans(j,instance)-tau)))
else
Ndot0_trans=0.0_pReal
end if