adopted from Viteshs branch
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@ -53,7 +53,8 @@ module plastic_dislotwin
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nu, &
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nu, &
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D0, & !< prefactor for self-diffusion coefficient
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D0, & !< prefactor for self-diffusion coefficient
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Qsd, & !< activation energy for dislocation climb
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Qsd, & !< activation energy for dislocation climb
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D, & !<grain size
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omega, & !< frequency factor for dislocation climb
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D, & !< grain size
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p_sb, & !< p-exponent in shear band velocity
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p_sb, & !< p-exponent in shear band velocity
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q_sb, & !< q-exponent in shear band velocity
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q_sb, & !< q-exponent in shear band velocity
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CEdgeDipMinDistance, & !<
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CEdgeDipMinDistance, & !<
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@ -104,6 +105,7 @@ module plastic_dislotwin
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integer, dimension(:,:), allocatable :: &
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integer, dimension(:,:), allocatable :: &
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fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans
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fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans
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real(pReal), dimension(:,:), allocatable :: &
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real(pReal), dimension(:,:), allocatable :: &
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n0_sl, & !< slip system normal
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forestProjection, &
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forestProjection, &
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C66
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C66
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real(pReal), dimension(:,:,:), allocatable :: &
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real(pReal), dimension(:,:,:), allocatable :: &
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@ -251,6 +253,8 @@ subroutine plastic_dislotwin_init
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prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),&
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prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),&
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config%getFloat('c/a',defaultVal=0.0_pReal))
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config%getFloat('c/a',defaultVal=0.0_pReal))
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prm%n0_sl = lattice_slip_normal(prm%N_sl,config%getString('lattice_structure'),&
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config%getFloat('c/a',defaultVal=0.0_pReal))
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prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) &
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prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) &
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.and. (prm%N_sl(1) == 12)
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.and. (prm%N_sl(1) == 12)
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if(prm%fccTwinTransNucleation) &
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if(prm%fccTwinTransNucleation) &
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@ -271,7 +275,17 @@ subroutine plastic_dislotwin_init
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prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
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prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
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prm%D0 = config%getFloat('d0')
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prm%D0 = config%getFloat('d0')
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prm%Qsd = config%getFloat('qsd')
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prm%Qsd = config%getFloat('qsd')
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prm%omega = config%getFloat('omega',defaultVal=1000.0_pReal)
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prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
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prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
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prm%SFE_0K = config%getFloat('sfe_0k',defaultVal = 0.0_pReal)
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prm%dSFE_dT = config%getFloat('dsfe_dt',defaultVal = 0.0_pReal)
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! multiplication factor according to slip system
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if (lattice_structure(p) == LATTICE_FCC_ID .or. lattice_structure(p) == LATTICE_HEX_ID ) then
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prm%omega = prm%omega * 11.0_pReal
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else
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prm%omega = prm%omega * 8.0_pReal
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endif
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! expand: family => system
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! expand: family => system
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prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
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prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
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@ -740,8 +754,11 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
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f_unrotated, &
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f_unrotated, &
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VacancyDiffusion, &
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VacancyDiffusion, &
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rho_dip_distance, &
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rho_dip_distance, &
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v_cl, &
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v_cl, & !< climb velocity
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tau
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Gamma, & !< stacking fault energy
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tau, &
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tau_cl, & ! ToDo: MD: good name? It is not a resolved stress but a different projection
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b_d
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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dot_rho_dip_formation, &
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dot_rho_dip_formation, &
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dot_rho_dip_climb, &
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dot_rho_dip_climb, &
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@ -760,6 +777,8 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
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- sum(stt%f_tr(1:prm%sum_N_tr,of))
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- sum(stt%f_tr(1:prm%sum_N_tr,of))
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VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*T))
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VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*T))
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Gamma = prm%SFE_0K + prm%dSFE_dT * T
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call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
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call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
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dot%gamma_sl(:,of) = abs(dot_gamma_sl)
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dot%gamma_sl(:,of) = abs(dot_gamma_sl)
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@ -786,8 +805,16 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
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if (dEq0(rho_dip_distance-rho_dip_distance_min(i))) then
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if (dEq0(rho_dip_distance-rho_dip_distance_min(i))) then
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dot_rho_dip_climb(i) = 0.0_pReal
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dot_rho_dip_climb(i) = 0.0_pReal
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else
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else
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v_cl = 3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(i) &
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tau_cl = norm2(matmul(Mp,prm%n0_sl(1:3,i))) ! ToDo: MD: correct?
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/ (2.0_pReal*PI*kB*T*(rho_dip_distance+rho_dip_distance_min(i)))
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if (prm%SFE_0K > 0.0_pReal) then ! ToDo: MD: I'm not really sure if this is correct. Maybe Gamma(0K) = 0
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b_d = 24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu)* Gamma/(prm%mu*prm%b_sl(i))
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else
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b_d = 1.0_pReal
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endif
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v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Qsd/(kB*T)) &
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* (exp(abs(tau_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
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dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,of) &
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dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,of) &
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/ (rho_dip_distance-rho_dip_distance_min(i))
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/ (rho_dip_distance-rho_dip_distance_min(i))
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endif
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endif
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