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still renaming

This commit is contained in:
Martin Diehl 2019-03-21 07:29:38 +01:00
parent 9936b382fd
commit 17f955d3e8
1 changed files with 74 additions and 76 deletions
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150
src/plastic_dislotwin.f90
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@ -46,16 +46,16 @@ module plastic_dislotwin
D0, & !< prefactor for self-diffusion coefficient D0, & !< prefactor for self-diffusion coefficient
Qsd, & !< activation energy for dislocation climb Qsd, & !< activation energy for dislocation climb
D, & !<grain size D, & !<grain size
pShearBand, & !< p-exponent in shear band velocity p_sb, & !< p-exponent in shear band velocity
qShearBand, & !< q-exponent in shear band velocity q_sb, & !< q-exponent in shear band velocity
CEdgeDipMinDistance, & !< CEdgeDipMinDistance, & !<
i_tw, & !< i_tw, & !<
SolidSolutionStrength, & !<strength due to elements in solid solution SolidSolutionStrength, & !<strength due to elements in solid solution
L0_twin, & !< Length of twin nuclei in Burgers vectors L_tw, & !< Length of twin nuclei in Burgers vectors
L0_trans, & !< Length of trans nuclei in Burgers vectors L_tr, & !< Length of trans nuclei in Burgers vectors
xc_twin, & !< critical distance for formation of twin nucleus xc_twin, & !< critical distance for formation of twin nucleus
xc_trans, & !< critical distance for formation of trans nucleus xc_trans, & !< critical distance for formation of trans nucleus
VcrossSlip, & !< cross slip volume V_cs, & !< cross slip volume
sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) sbResistance, & !< value for shearband resistance (might become an internal state variable at some point)
sbVelocity, & !< value for shearband velocity_0 sbVelocity, & !< value for shearband velocity_0
sbQedge, & !< activation energy for shear bands sbQedge, & !< activation energy for shear bands
@ -64,7 +64,7 @@ module plastic_dislotwin
aTol_rho, & !< absolute tolerance for integration of dislocation density aTol_rho, & !< absolute tolerance for integration of dislocation density
aTol_f_tw, & !< absolute tolerance for integration of twin volume fraction aTol_f_tw, & !< absolute tolerance for integration of twin volume fraction
aTol_f_tr, & !< absolute tolerance for integration of trans volume fraction aTol_f_tr, & !< absolute tolerance for integration of trans volume fraction
deltaG, & !< Free energy difference between austensite and martensite gamma_fcc_hex, & !< Free energy difference between austensite and martensite
i_tr, & !< i_tr, & !<
transStackHeight !< Stack height of hex nucleus transStackHeight !< Stack height of hex nucleus
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
@ -85,25 +85,25 @@ module plastic_dislotwin
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
r, & !< r-exponent in twin nucleation rate r, & !< r-exponent in twin nucleation rate
s, & !< s-exponent in trans nucleation rate s, & !< s-exponent in trans nucleation rate
shear_twin, & !< characteristic shear for twins gamma_char, & !< characteristic shear for twins
B !< drag coefficient B !< drag coefficient
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
h_sl_sl, & !< h_sl_sl, & !<
h_sl_tw, & !< h_sl_tw, & !<
h_tw_tw, & !< h_tw_tw, & !<
interaction_SlipTrans, & !< h_sl_tr, & !<
interaction_TransTrans !< h_tr_tr !<
integer, dimension(:,:), allocatable :: & integer, dimension(:,:), allocatable :: &
fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
forestProjection, & forestProjection, &
C66 C66
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
Schmid_trans, & P_tr, &
Schmid_slip, & P_sl, &
Schmid_twin, & P_tw, &
C66_twin, & C66_tw, &
C66_trans C66_tr
integer :: & integer :: &
sum_N_sl, & !< total number of active slip system sum_N_sl, & !< total number of active slip system
sum_N_tw, & !< total number of active twin system sum_N_tw, & !< total number of active twin system
@ -123,9 +123,9 @@ module plastic_dislotwin
real(pReal), dimension(:,:), pointer :: & real(pReal), dimension(:,:), pointer :: &
rho_mob, & rho_mob, &
rho_dip, & rho_dip, &
accshear_slip, & gamma_sl, &
f_tw, & f_tw, &
strainTransFraction f_tr
end type tDislotwinState end type tDislotwinState
type, private :: tDislotwinMicrostructure type, private :: tDislotwinMicrostructure
@ -266,7 +266,7 @@ subroutine plastic_dislotwin_init
prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray) prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(prm%N_sl) prm%sum_N_sl = sum(prm%N_sl)
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, & prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
@ -329,7 +329,7 @@ subroutine plastic_dislotwin_init
prm%N_tw = config%getInts('ntwin', defaultVal=emptyIntArray) prm%N_tw = config%getInts('ntwin', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(prm%N_tw) prm%sum_N_tw = sum(prm%N_tw)
if (prm%sum_N_tw > 0) then if (prm%sum_N_tw > 0) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,& prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,&
config%getFloats('interaction_twintwin'), & config%getFloats('interaction_twintwin'), &
@ -340,13 +340,13 @@ subroutine plastic_dislotwin_init
prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw)) prm%r = config%getFloats('r_twin', requiredSize=size(prm%N_tw))
prm%xc_twin = config%getFloat('xc_twin') prm%xc_twin = config%getFloat('xc_twin')
prm%L0_twin = config%getFloat('l0_twin') prm%L_tw = config%getFloat('l0_twin')
prm%i_tw = config%getFloat('cmfptwin') prm%i_tw = config%getFloat('cmfptwin')
prm%shear_twin = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),& prm%gamma_char = lattice_characteristicShear_Twin(prm%N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%C66_twin = lattice_C66_twin(prm%N_tw,prm%C66,config%getString('lattice_structure'),& prm%C66_tw = lattice_C66_twin(prm%N_tw,prm%C66,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if (.not. prm%fccTwinTransNucleation) then if (.not. prm%fccTwinTransNucleation) then
@ -375,21 +375,21 @@ subroutine plastic_dislotwin_init
prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%deltaG = config%getFloat('deltag') prm%gamma_fcc_hex = config%getFloat('deltag')
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L0_trans = config%getFloat('l0_trans') prm%L_tr = config%getFloat('l0_trans')
prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%N_tr,& prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,&
config%getFloats('interaction_transtrans'), & config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
prm%C66_trans = lattice_C66_trans(prm%N_tr,prm%C66, & prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, &
config%getString('trans_lattice_structure'), & config%getString('trans_lattice_structure'), &
0.0_pReal, & 0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal)) config%getFloat('a_fcc', defaultVal=0.0_pReal))
prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%N_tr, & prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr, &
config%getString('trans_lattice_structure'), & config%getString('trans_lattice_structure'), &
0.0_pReal, & 0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), & config%getFloat('a_bcc', defaultVal=0.0_pReal), &
@ -411,7 +411,7 @@ subroutine plastic_dislotwin_init
if (sum(prm%N_tw) > 0 .or. prm%sum_N_tr > 0) then if (sum(prm%N_tw) > 0 .or. prm%sum_N_tr > 0) then
prm%SFE_0K = config%getFloat('sfe_0k') prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt') prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%VcrossSlip = config%getFloat('vcrossslip') prm%V_cs = config%getFloat('vcrossslip')
endif endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
@ -422,7 +422,7 @@ subroutine plastic_dislotwin_init
endif endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then
prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,& prm%h_sl_tr = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,&
config%getFloats('interaction_sliptrans'), & config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6] if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6]
@ -434,14 +434,14 @@ subroutine plastic_dislotwin_init
if (prm%sbVelocity > 0.0_pReal) then if (prm%sbVelocity > 0.0_pReal) then
prm%sbResistance = config%getFloat('shearbandresistance') prm%sbResistance = config%getFloat('shearbandresistance')
prm%sbQedge = config%getFloat('qedgepersbsystem') prm%sbQedge = config%getFloat('qedgepersbsystem')
prm%pShearBand = config%getFloat('p_shearband') prm%p_sb = config%getFloat('p_shearband')
prm%qShearBand = config%getFloat('q_shearband') prm%q_sb = config%getFloat('q_shearband')
! sanity checks ! sanity checks
if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance' if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance'
if (prm%sbQedge < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem' if (prm%sbQedge < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem'
if (prm%pShearBand <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband' if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband'
if (prm%qShearBand <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband' if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband'
endif endif
@ -554,8 +554,8 @@ subroutine plastic_dislotwin_init
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter
! global alias ! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
@ -569,8 +569,8 @@ subroutine plastic_dislotwin_init
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr endIndex = endIndex + prm%sum_N_tr
stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) stt%f_tr=>plasticState(p)%state(startIndex:endIndex,:)
dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) dot%f_tr=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_f_tr
allocate(dst%Lambda_sl (prm%sum_N_sl, NipcMyPhase),source=0.0_pReal) allocate(dst%Lambda_sl (prm%sum_N_sl, NipcMyPhase),source=0.0_pReal)
@ -623,16 +623,16 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
f_unrotated = 1.0_pReal & f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) & - sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) - sum(stt%f_tr(1:prm%sum_N_tr,of))
homogenizedC = f_unrotated * prm%C66 homogenizedC = f_unrotated * prm%C66
do i=1,prm%sum_N_tw do i=1,prm%sum_N_tw
homogenizedC = homogenizedC & homogenizedC = homogenizedC &
+ stt%f_tw(i,of)*prm%C66_twin(1:6,1:6,i) + stt%f_tw(i,of)*prm%C66_tw(1:6,1:6,i)
enddo enddo
do i=1,prm%sum_N_tr do i=1,prm%sum_N_tr
homogenizedC = homogenizedC & homogenizedC = homogenizedC &
+ stt%strainTransFraction(i,of)*prm%C66_trans(1:6,1:6,i) + stt%f_tr(i,of)*prm%C66_tr(1:6,1:6,i)
enddo enddo
end associate end associate
@ -700,17 +700,17 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
f_unrotated = 1.0_pReal & f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) & - sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) - sum(stt%f_tr(1:prm%sum_N_tr,of))
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dMp = 0.0_pReal dLp_dMp = 0.0_pReal
call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,dgamma_dtau_slip) call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,dgamma_dtau_slip)
slipContribution: do i = 1, prm%sum_N_sl slipContribution: do i = 1, prm%sum_N_sl
Lp = Lp + dot_gamma_sl(i)*prm%Schmid_slip(1:3,1:3,i) Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgamma_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) + dgamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
enddo slipContribution enddo slipContribution
!ToDo: Why do this before shear banding? !ToDo: Why do this before shear banding?
@ -728,11 +728,11 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
tau = math_mul33xx33(Mp,Schmid_shearBand) tau = math_mul33xx33(Mp,Schmid_shearBand)
significantShearBandStress: if (abs(tau) > tol_math_check) then significantShearBandStress: if (abs(tau) > tol_math_check) then
StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb
dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%qShearBand), tau) dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand/ prm%sbResistance & dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance &
* (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) & * (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) &
* (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal) * (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
Lp = Lp + dot_gamma_sb * Schmid_shearBand Lp = Lp + dot_gamma_sb * Schmid_shearBand
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -745,18 +745,18 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin) call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin)
twinContibution: do i = 1, prm%sum_N_tw twinContibution: do i = 1, prm%sum_N_tw
Lp = Lp + dot_gamma_twin(i)*prm%Schmid_twin(1:3,1:3,i) * f_unrotated Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i) * f_unrotated
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgamma_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) * f_unrotated + dgamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated
enddo twinContibution enddo twinContibution
call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,dgamma_dtau_trans) call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,dgamma_dtau_trans)
transContibution: do i = 1, prm%sum_N_tr transContibution: do i = 1, prm%sum_N_tr
Lp = Lp + dot_gamma_tr(i)*prm%Schmid_trans(1:3,1:3,i) * f_unrotated Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i) * f_unrotated
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgamma_dtau_trans(i)* prm%Schmid_trans(k,l,i)*prm%Schmid_trans(m,n,i) * f_unrotated + dgamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i) * f_unrotated
enddo transContibution enddo transContibution
@ -776,8 +776,6 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
math_clip, & math_clip, &
math_mul33xx33, & math_mul33xx33, &
PI PI
use material, only: &
plasticState
implicit none implicit none
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
@ -808,17 +806,17 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
f_unrotated = 1.0_pReal & f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) & - sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) - sum(stt%f_tr(1:prm%sum_N_tr,of))
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*T)) VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*T))
call kinetics_slip(Mp,T,instance,of,dot_gamma_sl) call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
dot%accshear_slip(:,of) = abs(dot_gamma_sl) dot%gamma_sl(:,of) = abs(dot_gamma_sl)
DotRhoMultiplication = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) DotRhoMultiplication = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of))
EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%b_sl
slipState: do i = 1, prm%sum_N_sl slipState: do i = 1, prm%sum_N_sl
tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) tau = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,i))
significantSlipStress: if (dEq0(tau)) then significantSlipStress: if (dEq0(tau)) then
Dotrho_DipFormation = 0.0_pReal Dotrho_DipFormation = 0.0_pReal
@ -857,7 +855,7 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
enddo slipState enddo slipState
call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin) call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin)
dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%shear_twin dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%gamma_char
call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr) call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr)
dot%f_tw(:,of) = f_unrotated*dot_gamma_tr dot%f_tw(:,of) = f_unrotated*dot_gamma_tr
@ -905,7 +903,7 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
dst => microstructure(instance)) dst => microstructure(instance))
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of)) sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of))
sumf_trans = sum(stt%strainTransFraction(1:prm%sum_N_tr,of)) sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,of))
SFE = prm%SFE_0K + prm%dSFE_dT * T SFE = prm%SFE_0K + prm%dSFE_dT * T
@ -934,11 +932,11 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) & if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12 lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12
matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose matmul(transpose(prm%h_sl_tr),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose
!ToDo: needed? if (prm%sum_N_tr > 0) & !ToDo: needed? if (prm%sum_N_tr > 0) &
lambda_tr_tr_inv = matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) lambda_tr_tr_inv = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
@ -965,18 +963,18 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
!* threshold stress for growing twin/martensite !* threshold stress for growing twin/martensite
if(prm%sum_N_tw == prm%sum_N_sl) & if(prm%sum_N_tw == prm%sum_N_sl) &
dst%threshold_stress_twin(:,of) = & dst%threshold_stress_twin(:,of) = &
(SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L0_twin*prm%b_sl)) ! slip burgers here correct? (SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl)) ! slip burgers here correct?
if(prm%sum_N_tr == prm%sum_N_sl) & if(prm%sum_N_tr == prm%sum_N_sl) &
dst%threshold_stress_trans(:,of) = & dst%threshold_stress_trans(:,of) = &
(SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/& (SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/&
(prm%L0_trans*prm%b_sl) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%b_tr) ) (prm%L_tr*prm%b_sl) + prm%transStackHeight*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr) )
dst%f_tw(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal dst%f_tw(:,of) = (PI/4.0_pReal)*prm%twinsize*dst%Lambda_tw(:,of)**2.0_pReal
dst%f_tr(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal dst%f_tr(:,of) = (PI/4.0_pReal)*prm%lamellarsize*dst%Lambda_tr(:,of)**2.0_pReal
x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans
dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
x0 = prm%mu*prm%b_tr**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip x0 = prm%mu*prm%b_tr**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip
@ -1030,14 +1028,14 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
call kinetics_slip(Mp,T,instance,of,postResults(c+1:c+prm%sum_N_sl)) call kinetics_slip(Mp,T,instance,of,postResults(c+1:c+prm%sum_N_sl))
c = c + prm%sum_N_sl c = c + prm%sum_N_sl
case (gamma_sl_ID) case (gamma_sl_ID)
postResults(c+1:c+prm%sum_N_sl) = stt%accshear_slip(1:prm%sum_N_sl,of) postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl,of)
c = c + prm%sum_N_sl c = c + prm%sum_N_sl
case (Lambda_sl_ID) case (Lambda_sl_ID)
postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl,of) postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl,of)
c = c + prm%sum_N_sl c = c + prm%sum_N_sl
case (resolved_stress_slip_ID) case (resolved_stress_slip_ID)
do j = 1, prm%sum_N_sl do j = 1, prm%sum_N_sl
postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) postResults(c+j) = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,j))
enddo enddo
c = c + prm%sum_N_sl c = c + prm%sum_N_sl
case (threshold_stress_slip_ID) case (threshold_stress_slip_ID)
@ -1052,7 +1050,7 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
c = c + prm%sum_N_tw c = c + prm%sum_N_tw
case (resolved_stress_twin_ID) case (resolved_stress_twin_ID)
do j = 1, prm%sum_N_tw do j = 1, prm%sum_N_tw
postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) postResults(c+j) = math_mul33xx33(Mp,prm%P_tw(1:3,1:3,j))
enddo enddo
c = c + prm%sum_N_tw c = c + prm%sum_N_tw
case (threshold_stress_twin_ID) case (threshold_stress_twin_ID)
@ -1060,7 +1058,7 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
c = c + prm%sum_N_tw c = c + prm%sum_N_tw
case (f_tr_ID) case (f_tr_ID)
postResults(c+1:c+prm%sum_N_tr) = stt%strainTransFraction(1:prm%sum_N_tr,of) postResults(c+1:c+prm%sum_N_tr) = stt%f_tr(1:prm%sum_N_tr,of)
c = c + prm%sum_N_tr c = c + prm%sum_N_tr
end select end select
enddo enddo
@ -1144,7 +1142,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
do i = 1, prm%sum_N_sl do i = 1, prm%sum_N_sl
tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) tau(i) = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,i))
enddo enddo
tau_eff = abs(tau)-dst%tau_pass(:,of) tau_eff = abs(tau)-dst%tau_pass(:,of)
@ -1217,15 +1215,15 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
do i = 1, prm%sum_N_tw do i = 1, prm%sum_N_tw
tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) tau(i) = math_mul33xx33(Mp,prm%P_tw(1:3,1:3,i))
isFCC: if (prm%fccTwinTransNucleation) then isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tw(i,of)) then if (tau(i) < dst%tau_r_tw(i,of)) then
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+& Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L0_twin*prm%b_sl(i))*& (prm%L_tw*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*T)*& (1.0_pReal-exp(-prm%V_cs/(kB*T)*&
(dst%tau_r_tw(i,of)-tau))) (dst%tau_r_tw(i,of)-tau)))
else else
Ndot0=0.0_pReal Ndot0=0.0_pReal
@ -1237,7 +1235,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
significantStress: where(tau > tol_math_check) significantStress: where(tau > tol_math_check)
StressRatio_r = (dst%threshold_stress_twin(:,of)/tau)**prm%r StressRatio_r = (dst%threshold_stress_twin(:,of)/tau)**prm%r
dot_gamma_twin = prm%shear_twin * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r) dot_gamma_twin = prm%gamma_char * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r)
dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
else where significantStress else where significantStress
dot_gamma_twin = 0.0_pReal dot_gamma_twin = 0.0_pReal
@ -1289,15 +1287,15 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance)) associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
do i = 1, prm%sum_N_tr do i = 1, prm%sum_N_tr
tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) tau(i) = math_mul33xx33(Mp,prm%P_tr(1:3,1:3,i))
isFCC: if (prm%fccTwinTransNucleation) then isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tr(i,of)) then if (tau(i) < dst%tau_r_tr(i,of)) then
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+& Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L0_trans*prm%b_sl(i))*& (prm%L_tr*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*T)*& (1.0_pReal-exp(-prm%V_cs/(kB*T)*&
(dst%tau_r_tr(i,of)-tau))) (dst%tau_r_tr(i,of)-tau)))
else else
Ndot0=0.0_pReal Ndot0=0.0_pReal