[skip ci] adjusting to disloUCLA
This commit is contained in:
Martin Diehl
parent
f12b66b409
commit
f50e6fe5ad
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@ -75,8 +75,8 @@ module plastic_dislotwin
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b_tr, & !< absolute length of burgers vector [m] for each transformation system
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Delta_F,& !< activation energy for glide [J] for each slip system
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v0, & !< dislocation velocity prefactor [m/s] for each slip system
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Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system
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Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system
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dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system
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dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system
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twinsize, & !< twin thickness [m] for each twin system
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CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
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atomicVolume, &
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@ -105,19 +105,19 @@ module plastic_dislotwin
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C66_tw, &
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C66_tr
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integer :: &
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sum_N_sl, & !< total number of active slip system
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sum_N_tw, & !< total number of active twin system
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sum_N_tr !< total number of active transformation system
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sum_N_sl, & !< total number of active slip system
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sum_N_tw, & !< total number of active twin system
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sum_N_tr !< total number of active transformation system
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integer, dimension(:), allocatable :: &
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N_sl, & !< number of active slip systems for each family
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N_tw, & !< number of active twin systems for each family
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N_tr !< number of active transformation systems for each family
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N_sl, & !< number of active slip systems for each family
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N_tw, & !< number of active twin systems for each family
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N_tr !< number of active transformation systems for each family
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integer(kind(undefined_ID)), dimension(:), allocatable :: &
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outputID !< ID of each post result output
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outputID !< ID of each post result output
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logical :: &
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fccTwinTransNucleation, & !< twinning and transformation models are for fcc
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dipoleFormation !< flag indicating consideration of dipole formation
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end type !< container type for internal constitutive parameters
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fccTwinTransNucleation, & !< twinning and transformation models are for fcc
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dipoleFormation !< flag indicating consideration of dipole formation
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end type !< container type for internal constitutive parameters
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type, private :: tDislotwinState
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real(pReal), dimension(:,:), pointer :: &
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@ -351,8 +351,8 @@ subroutine plastic_dislotwin_init
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config%getFloat('c/a',defaultVal=0.0_pReal))
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if (.not. prm%fccTwinTransNucleation) then
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prm%Ndot0_twin = config%getFloats('ndot0_twin')
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prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%N_tw)
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prm%dot_N_0_tw = config%getFloats('ndot0_twin')
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prm%dot_N_0_tw = math_expand(prm%dot_N_0_tw,prm%N_tw)
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endif
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! expand: family => system
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@ -397,8 +397,8 @@ subroutine plastic_dislotwin_init
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config%getFloat('a_fcc', defaultVal=0.0_pReal))
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if (lattice_structure(p) /= LATTICE_fcc_ID) then
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prm%Ndot0_trans = config%getFloats('ndot0_trans')
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prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%N_tr)
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prm%dot_N_0_tr = config%getFloats('ndot0_trans')
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prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,prm%N_tr)
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endif
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prm%lamellarsize = config%getFloats('lamellarsize')
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prm%lamellarsize = math_expand(prm%lamellarsize,prm%N_tr)
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@ -454,7 +454,7 @@ subroutine plastic_dislotwin_init
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!if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) &
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! call IO_error(211,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')')
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! call IO_error(211,el=p,ext_msg='dot_N_0_tw ('//PLASTICITY_DISLOTWIN_label//')')
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if (any(prm%atomicVolume <= 0.0_pReal)) &
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call IO_error(211,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')')
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@ -664,14 +664,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
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integer :: i,k,l,m,n
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real(pReal) :: f_unrotated,StressRatio_p,&
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BoltzmannRatio, &
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dgamma_dtau, &
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ddot_gamma_dtau, &
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tau
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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dot_gamma_sl,dgamma_dtau_slip
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dot_gamma_sl,ddot_gamma_dtau_slip
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real(pReal), dimension(param(instance)%sum_N_tw) :: &
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dot_gamma_twin,dgamma_dtau_twin
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dot_gamma_twin,ddot_gamma_dtau_twin
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real(pReal), dimension(param(instance)%sum_N_tr) :: &
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dot_gamma_tr,dgamma_dtau_trans
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dot_gamma_tr,ddot_gamma_dtau_trans
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real(pReal):: dot_gamma_sb
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real(pReal), dimension(3,3) :: eigVectors, P_sb
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real(pReal), dimension(3) :: eigValues
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@ -705,12 +705,12 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
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Lp = 0.0_pReal
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dLp_dMp = 0.0_pReal
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call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,dgamma_dtau_slip)
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call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,ddot_gamma_dtau_slip)
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slipContribution: do i = 1, prm%sum_N_sl
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Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
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+ dgamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
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+ ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
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enddo slipContribution
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!ToDo: Why do this before shear banding?
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@ -730,33 +730,33 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
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significantShearBandStress: if (abs(tau) > tol_math_check) then
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StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb
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dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
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dgamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance &
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ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance &
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* (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) &
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* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
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Lp = Lp + dot_gamma_sb * P_sb
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
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+ dgamma_dtau * P_sb(k,l) * P_sb(m,n)
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+ ddot_gamma_dtau * P_sb(k,l) * P_sb(m,n)
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endif significantShearBandStress
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enddo
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endif shearBandingContribution
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call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,dgamma_dtau_twin)
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call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,ddot_gamma_dtau_twin)
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twinContibution: do i = 1, prm%sum_N_tw
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Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i) * f_unrotated
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
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+ dgamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated
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+ ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i) * f_unrotated
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enddo twinContibution
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call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,dgamma_dtau_trans)
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call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,ddot_gamma_dtau_trans)
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transContibution: do i = 1, prm%sum_N_tr
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Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i) * f_unrotated
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forall (k=1:3,l=1:3,m=1:3,n=1:3) &
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dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
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+ dgamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i) * f_unrotated
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+ ddot_gamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i) * f_unrotated
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enddo transContibution
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@ -882,13 +882,13 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
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real(pReal) :: &
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sumf_twin,SFE,sumf_trans
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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lambda_sl_sl_inv, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
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lambda_sl_tw_inv, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
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lambda_sl_tr_inv !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
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inv_lambda_sl_sl, & !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
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inv_lambda_sl_tw, & !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
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inv_lambda_sl_tr !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
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real(pReal), dimension(param(instance)%sum_N_tw) :: &
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lambda_tw_tw_inv !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
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inv_lambda_tw_tw !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
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real(pReal), dimension(param(instance)%sum_N_tr) :: &
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lambda_tr_tr_inv !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
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inv_lambda_tr_tr !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
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real(pReal), dimension(:), allocatable :: &
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x0, &
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@ -912,45 +912,45 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
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forall (i = 1:prm%sum_N_sl) &
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lambda_sl_sl_inv(i) = &
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inv_lambda_sl_sl(i) = &
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sqrt(dot_product((stt%rho_mob(1:prm%sum_N_sl,of)+stt%rho_dip(1:prm%sum_N_sl,of)),&
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prm%forestProjection(1:prm%sum_N_sl,i)))/prm%CLambdaSlip(i) ! change order and use matmul
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if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
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lambda_sl_tw_inv = &
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inv_lambda_sl_tw = &
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matmul(transpose(prm%h_sl_tw),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Change order/no transpose
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!ToDo: needed? if (prm%sum_N_tw > 0) &
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lambda_tw_tw_inv = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin)
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inv_lambda_tw_tw = matmul(prm%h_tw_tw,fOverStacksize)/(1.0_pReal-sumf_twin)
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if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
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lambda_sl_tr_inv = & ! ToDo: does not work if N_tr is not 12
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inv_lambda_sl_tr = & ! ToDo: does not work if N_tr is not 12
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matmul(transpose(prm%h_sl_tr),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: remove transpose
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!ToDo: needed? if (prm%sum_N_tr > 0) &
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lambda_tr_tr_inv = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
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inv_lambda_tr_tr = matmul(prm%h_tr_tr,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
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if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: Change order
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dst%Lambda_sl(:,of) = &
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prm%D/(1.0_pReal+prm%D*&
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(lambda_sl_sl_inv + lambda_sl_tw_inv + lambda_sl_tr_inv))
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(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
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else
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dst%Lambda_sl(:,of) = prm%D &
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/ (1.0_pReal+prm%D*lambda_sl_sl_inv) !!!!!! correct?
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/ (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct?
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endif
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dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*lambda_tw_tw_inv)
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dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*lambda_tr_tr_inv)
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dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
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dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
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!* threshold stress for dislocation motion
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forall (i = 1:prm%sum_N_sl) dst%tau_pass(i,of) = &
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@ -1100,7 +1100,7 @@ end subroutine plastic_dislotwin_results
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! have the optional arguments at the end
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!--------------------------------------------------------------------------------------------------
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pure subroutine kinetics_slip(Mp,T,instance,of, &
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dot_gamma_sl,dgamma_dtau_slip,tau_slip)
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dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
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use prec, only: &
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tol_math_check, &
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dNeq0
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@ -1119,10 +1119,10 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
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real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: &
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dot_gamma_sl
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real(pReal), dimension(param(instance)%sum_N_sl), optional, intent(out) :: &
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dgamma_dtau_slip, &
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ddot_gamma_dtau_slip, &
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tau_slip
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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dgamma_dtau
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ddot_gamma_dtau
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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tau, &
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@ -1154,23 +1154,23 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
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dot_gamma_sl = sign(stt%rho_mob(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
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dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio &
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dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * BoltzmannRatio &
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* (stressRatio**(prm%p-1.0_pReal)) &
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* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
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/ prm%tau_0
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dV_run_inverse_dTau = v_run_inverse/tau_eff
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dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
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dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
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dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
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/ (v_wait_inverse+v_run_inverse)**2.0_pReal
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dgamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl
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ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl
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else where significantStress
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dot_gamma_sl = 0.0_pReal
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dgamma_dtau = 0.0_pReal
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dot_gamma_sl = 0.0_pReal
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ddot_gamma_dtau = 0.0_pReal
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end where significantStress
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end associate
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if(present(dgamma_dtau_slip)) dgamma_dtau_slip = dgamma_dtau
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if(present(tau_slip)) tau_slip = tau
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if(present(ddot_gamma_dtau_slip)) ddot_gamma_dtau_slip = ddot_gamma_dtau
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if(present(tau_slip)) tau_slip = tau
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end subroutine kinetics_slip
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@ -1179,7 +1179,7 @@ end subroutine kinetics_slip
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!> @brief calculates shear rates on twin systems
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!--------------------------------------------------------------------------------------------------
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pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
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dot_gamma_twin,dgamma_dtau_twin)
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dot_gamma_twin,ddot_gamma_dtau_twin)
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use prec, only: &
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tol_math_check, &
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dNeq0
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@ -1200,13 +1200,13 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
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real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
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dot_gamma_twin
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real(pReal), dimension(param(instance)%sum_N_tw), optional, intent(out) :: &
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dgamma_dtau_twin
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ddot_gamma_dtau_twin
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real, dimension(param(instance)%sum_N_tw) :: &
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tau, &
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Ndot0, &
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stressRatio_r, &
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dgamma_dtau
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ddot_gamma_dtau
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integer :: i,s1,s2
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@ -1227,22 +1227,22 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
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Ndot0=0.0_pReal
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end if
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else isFCC
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Ndot0=prm%Ndot0_twin(i)
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Ndot0=prm%dot_N_0_tw(i)
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endif isFCC
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enddo
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significantStress: where(tau > tol_math_check)
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StressRatio_r = (dst%tau_hat_tw(:,of)/tau)**prm%r
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dot_gamma_twin = prm%gamma_char * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r)
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||||
dgamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
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||||
ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
|
||||
else where significantStress
|
||||
dot_gamma_twin = 0.0_pReal
|
||||
dgamma_dtau = 0.0_pReal
|
||||
ddot_gamma_dtau = 0.0_pReal
|
||||
end where significantStress
|
||||
|
||||
end associate
|
||||
|
||||
if(present(dgamma_dtau_twin)) dgamma_dtau_twin = dgamma_dtau
|
||||
if(present(ddot_gamma_dtau_twin)) ddot_gamma_dtau_twin = ddot_gamma_dtau
|
||||
|
||||
end subroutine kinetics_twin
|
||||
|
||||
|
|
@ -1251,7 +1251,7 @@ end subroutine kinetics_twin
|
|||
!> @brief calculates shear rates on twin systems
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
|
||||
dot_gamma_tr,dgamma_dtau_trans)
|
||||
dot_gamma_tr,ddot_gamma_dtau_trans)
|
||||
use prec, only: &
|
||||
tol_math_check, &
|
||||
dNeq0
|
||||
|
|
@ -1272,13 +1272,13 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
|
|||
real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: &
|
||||
dot_gamma_tr
|
||||
real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: &
|
||||
dgamma_dtau_trans
|
||||
ddot_gamma_dtau_trans
|
||||
|
||||
real, dimension(param(instance)%sum_N_tr) :: &
|
||||
tau, &
|
||||
Ndot0, &
|
||||
stressRatio_s, &
|
||||
dgamma_dtau
|
||||
ddot_gamma_dtau
|
||||
|
||||
integer :: i,s1,s2
|
||||
|
||||
|
|
@ -1299,22 +1299,22 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
|
|||
Ndot0=0.0_pReal
|
||||
end if
|
||||
else isFCC
|
||||
Ndot0=prm%Ndot0_trans(i)
|
||||
Ndot0=prm%dot_N_0_tr(i)
|
||||
endif isFCC
|
||||
enddo
|
||||
|
||||
significantStress: where(tau > tol_math_check)
|
||||
StressRatio_s = (dst%tau_hat_tr(:,of)/tau)**prm%s
|
||||
dot_gamma_tr = dst%f_tr(:,of) * Ndot0*exp(-StressRatio_s)
|
||||
dgamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s
|
||||
ddot_gamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s
|
||||
else where significantStress
|
||||
dot_gamma_tr = 0.0_pReal
|
||||
dgamma_dtau = 0.0_pReal
|
||||
ddot_gamma_dtau = 0.0_pReal
|
||||
end where significantStress
|
||||
|
||||
end associate
|
||||
|
||||
if(present(dgamma_dtau_trans)) dgamma_dtau_trans = dgamma_dtau
|
||||
if(present(ddot_gamma_dtau_trans)) ddot_gamma_dtau_trans = ddot_gamma_dtau
|
||||
|
||||
end subroutine kinetics_trans
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue