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@ -24,7 +24,6 @@ submodule(phase:plastic) dislotungsten
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tau_Peierls, & !< Peierls stress
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!* mobility law parameters
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Q_s, & !< activation energy for glide [J]
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v_0, & !< dislocation velocity prefactor [m/s]
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p, & !< p-exponent in glide velocity
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q, & !< q-exponent in glide velocity
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B, & !< friction coefficient
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@ -148,7 +147,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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else
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prm%P_nS_pos = prm%P_sl
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prm%P_nS_neg = prm%P_sl
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endif
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end if
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prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('h_sl-sl'), &
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phase_lattice(ph))
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@ -158,7 +157,6 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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rho_mob_0 = pl%get_as1dFloat('rho_mob_0', requiredSize=size(N_sl))
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rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
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prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl))
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prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl))
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prm%Q_s = pl%get_as1dFloat('Q_s', requiredSize=size(N_sl))
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@ -189,18 +187,16 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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prm%w = math_expand(prm%w, N_sl)
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prm%omega = math_expand(prm%omega, N_sl)
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prm%tau_Peierls = math_expand(prm%tau_Peierls, N_sl)
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prm%v_0 = math_expand(prm%v_0, N_sl)
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prm%B = math_expand(prm%B, N_sl)
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prm%i_sl = math_expand(prm%i_sl, N_sl)
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prm%f_at = math_expand(prm%f_at, N_sl)
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prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl
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! sanity checks
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if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
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if ( prm%D_0 < 0.0_pReal) extmsg = trim(extmsg)//' D_0'
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if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
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if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
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if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
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if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
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if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
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if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
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if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls'
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@ -209,13 +205,13 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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if (any(prm%f_at <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl'
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else slipActive
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rho_mob_0= emptyRealArray; rho_dip_0 = emptyRealArray
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rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
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allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, &
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prm%Q_s,prm%v_0,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
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prm%Q_s,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
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source = emptyRealArray)
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allocate(prm%forestProjection(0,0))
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allocate(prm%h_sl_sl (0,0))
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endif slipActive
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end if slipActive
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!--------------------------------------------------------------------------------------------------
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! allocate state arrays
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@ -258,7 +254,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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! exit if any parameter is out of range
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if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(dislotungsten)')
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enddo
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end do
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end function plastic_dislotungsten_init
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@ -267,7 +263,7 @@ end function plastic_dislotungsten_init
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!> @brief Calculate plastic velocity gradient and its tangent.
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!--------------------------------------------------------------------------------------------------
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pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
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Mp,T,ph,en)
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Mp,T,ph,en)
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real(pReal), dimension(3,3), intent(out) :: &
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Lp !< plastic velocity gradient
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real(pReal), dimension(3,3,3,3), intent(out) :: &
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@ -287,19 +283,20 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
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dot_gamma_pos,dot_gamma_neg, &
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ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
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Lp = 0.0_pReal
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dLp_dMp = 0.0_pReal
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associate(prm => param(ph))
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call kinetics(Mp,T,ph,en,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
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do i = 1, prm%sum_N_sl
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Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(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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+ ddot_gamma_dtau_pos(i) * prm%P_sl(k,l,i) * prm%P_nS_pos(m,n,i) &
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+ ddot_gamma_dtau_neg(i) * prm%P_sl(k,l,i) * prm%P_nS_neg(m,n,i)
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enddo
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call kinetics(Mp,T,ph,en,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
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do i = 1, prm%sum_N_sl
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Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(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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+ ddot_gamma_dtau_pos(i) * prm%P_sl(k,l,i) * prm%P_nS_pos(m,n,i) &
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+ ddot_gamma_dtau_neg(i) * prm%P_sl(k,l,i) * prm%P_nS_neg(m,n,i)
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end do
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end associate
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@ -328,35 +325,36 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
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dot_rho_dip_climb, &
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d_hat
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associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
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call kinetics(Mp,T,ph,en,&
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dot_gamma_pos,dot_gamma_neg, &
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tau_pos_out = tau_pos,tau_neg_out = tau_neg)
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call kinetics(Mp,T,ph,en,&
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dot_gamma_pos,dot_gamma_neg, &
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tau_pos_out = tau_pos,tau_neg_out = tau_neg)
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dot%gamma_sl(:,en) = abs(dot_gamma_pos+dot_gamma_neg)
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dot%gamma_sl(:,en) = abs(dot_gamma_pos+dot_gamma_neg)
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where(dEq0(tau_pos)) ! ToDo: use avg of +/-
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dot_rho_dip_formation = 0.0_pReal
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dot_rho_dip_climb = 0.0_pReal
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else where
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d_hat = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), & ! ToDo: use avg of +/-
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prm%d_caron, & ! lower limit
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dst%Lambda_sl(:,en)) ! upper limit
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dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot%gamma_sl(:,en)/prm%b_sl, &
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0.0_pReal, &
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prm%dipoleformation)
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v_cl = (3.0_pReal*prm%mu*prm%D_0*exp(-prm%Q_cl/(kB*T))*prm%f_at/(2.0_pReal*PI*kB*T)) &
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* (1.0_pReal/(d_hat+prm%d_caron))
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dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
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end where
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where(dEq0((tau_pos+tau_neg)*0.5_pReal))
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dot_rho_dip_formation = 0.0_pReal
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dot_rho_dip_climb = 0.0_pReal
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else where
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d_hat = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos+tau_neg)*0.5_pReal), &
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prm%d_caron, & ! lower limit
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dst%Lambda_sl(:,en)) ! upper limit
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dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot%gamma_sl(:,en)/prm%b_sl, &
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0.0_pReal, &
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prm%dipoleformation)
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v_cl = (3.0_pReal*prm%mu*prm%D_0*exp(-prm%Q_cl/(kB*T))*prm%f_at/(2.0_pReal*PI*kB*T)) &
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* (1.0_pReal/(d_hat+prm%d_caron))
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dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
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end where
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dot%rho_mob(:,en) = dot%gamma_sl(:,en)/(prm%b_sl*dst%Lambda_sl(:,en)) & ! multiplication
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- dot_rho_dip_formation &
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- (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_mob(:,en)*dot%gamma_sl(:,en) ! Spontaneous annihilation of 2 edges
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dot%rho_dip(:,en) = dot_rho_dip_formation &
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- (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_dip(:,en)*dot%gamma_sl(:,en) & ! Spontaneous annihilation of an edge with a dipole
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- dot_rho_dip_climb
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dot%rho_mob(:,en) = dot%gamma_sl(:,en)/(prm%b_sl*dst%Lambda_sl(:,en)) & ! multiplication
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- dot_rho_dip_formation &
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- (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_mob(:,en)*dot%gamma_sl(:,en) ! Spontaneous annihilation of 2 edges
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dot%rho_dip(:,en) = dot_rho_dip_formation &
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- (2.0_pReal*prm%d_caron)/prm%b_sl*stt%rho_dip(:,en)*dot%gamma_sl(:,en) & ! Spontaneous annihilation of an edge with a dipole
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- dot_rho_dip_climb
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end associate
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@ -368,21 +366,22 @@ end subroutine dislotungsten_dotState
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!--------------------------------------------------------------------------------------------------
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module subroutine dislotungsten_dependentState(ph,en)
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integer, intent(in) :: &
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integer, intent(in) :: &
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ph, &
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en
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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dislocationSpacing
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Lambda_sl_inv
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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dislocationSpacing = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
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dst%tau_pass(:,en) = prm%mu*prm%b_sl &
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* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
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dst%Lambda_sl(:,en) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
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Lambda_sl_inv = 1.0_pReal/prm%D &
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+ sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))/prm%i_sl
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dst%Lambda_sl(:,en) = Lambda_sl_inv**(-1.0_pReal)
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end associate
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@ -423,7 +422,7 @@ module subroutine plastic_dislotungsten_results(ph,group)
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'threshold stress for slip','Pa',prm%systems_sl)
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end select
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enddo
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end do
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end associate
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@ -456,88 +455,91 @@ pure subroutine kinetics(Mp,T,ph,en, &
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ddot_gamma_dtau_neg, &
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tau_pos_out, &
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tau_neg_out
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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StressRatio, &
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StressRatio_p,StressRatio_pminus1, &
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dvel, vel, &
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tau_pos,tau_neg, &
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dvel, &
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tau_pos, tau_neg, tau_eff, &
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t_n, t_k, dtk,dtn
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integer :: j
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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do j = 1, prm%sum_N_sl
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tau_pos(j) = math_tensordot(Mp,prm%P_nS_pos(1:3,1:3,j))
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tau_neg(j) = math_tensordot(Mp,prm%P_nS_neg(1:3,1:3,j))
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enddo
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do j = 1, prm%sum_N_sl
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tau_pos(j) = math_tensordot(Mp,prm%P_nS_pos(1:3,1:3,j))
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tau_neg(j) = math_tensordot(Mp,prm%P_nS_neg(1:3,1:3,j))
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end do
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if (present(tau_pos_out)) tau_pos_out = tau_pos
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if (present(tau_neg_out)) tau_neg_out = tau_neg
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if (present(tau_pos_out)) tau_pos_out = tau_pos
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if (present(tau_neg_out)) tau_neg_out = tau_neg
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associate(BoltzmannRatio => prm%Q_s/(kB*T), &
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b_rho_half => stt%rho_mob(:,en) * prm%b_sl * 0.5_pReal, &
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effectiveLength => dst%Lambda_sl(:,en) - prm%w)
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associate(BoltzmannRatio => prm%Q_s/(kB*T), &
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dot_gamma_0 => stt%rho_mob(:,en)*prm%b_sl*prm%v_0, &
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effectiveLength => dst%Lambda_sl(:,en) - prm%w)
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tau_eff = abs(tau_pos)-dst%tau_pass(:,en)
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significantPositiveTau: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
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StressRatio = (abs(tau_pos)-dst%tau_pass(:,en))/prm%tau_Peierls
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StressRatio_p = StressRatio** prm%p
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StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
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significantPositiveTau: where(tau_eff > tol_math_check)
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StressRatio = tau_eff/prm%tau_Peierls
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StressRatio_p = StressRatio** prm%p
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StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
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t_n = prm%b_sl/(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)*prm%omega*effectiveLength)
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t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
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t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pReal-StressRatio_p) ** prm%q) &
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/ (prm%omega*effectiveLength)
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t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_eff) ! corrected eq. (14)
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vel = prm%h/(t_n + t_k)
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dot_gamma_pos = b_rho_half * sign(prm%h/(t_n + t_k),tau_pos)
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else where significantPositiveTau
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dot_gamma_pos = 0.0_pReal
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end where significantPositiveTau
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dot_gamma_pos = dot_gamma_0 * sign(vel,tau_pos) * 0.5_pReal
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else where significantPositiveTau
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dot_gamma_pos = 0.0_pReal
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end where significantPositiveTau
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if (present(ddot_gamma_dtau_pos)) then
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significantPositiveTau2: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
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dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
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* StressRatio_pminus1 / prm%tau_Peierls
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dtk = -1.0_pReal * t_k / tau_pos
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if (present(ddot_gamma_dtau_pos)) then
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significantPositiveTau2: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
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dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
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* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_Peierls
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dtk = -1.0_pReal * t_k / tau_pos
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dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
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dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
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ddot_gamma_dtau_pos = b_rho_half * dvel
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else where significantPositiveTau2
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ddot_gamma_dtau_pos = 0.0_pReal
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end where significantPositiveTau2
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end if
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ddot_gamma_dtau_pos = dot_gamma_0 * dvel* 0.5_pReal
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else where significantPositiveTau2
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ddot_gamma_dtau_pos = 0.0_pReal
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end where significantPositiveTau2
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endif
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tau_eff = abs(tau_neg)-dst%tau_pass(:,en)
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significantNegativeTau: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
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StressRatio = (abs(tau_neg)-dst%tau_pass(:,en))/prm%tau_Peierls
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StressRatio_p = StressRatio** prm%p
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StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
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|
significantNegativeTau: where(tau_eff > tol_math_check)
|
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StressRatio = tau_eff/prm%tau_Peierls
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StressRatio_p = StressRatio** prm%p
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StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
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t_n = prm%b_sl/(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)*prm%omega*effectiveLength)
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t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
|
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t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pReal-StressRatio_p) ** prm%q) &
|
|
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|
/ (prm%omega*effectiveLength)
|
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|
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t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_eff) ! corrected eq. (14)
|
|
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vel = prm%h/(t_n + t_k)
|
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dot_gamma_neg = b_rho_half * sign(prm%h/(t_n + t_k),tau_neg)
|
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else where significantNegativeTau
|
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|
dot_gamma_neg = 0.0_pReal
|
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|
end where significantNegativeTau
|
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dot_gamma_neg = dot_gamma_0 * sign(vel,tau_neg) * 0.5_pReal
|
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else where significantNegativeTau
|
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|
dot_gamma_neg = 0.0_pReal
|
|
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|
|
end where significantNegativeTau
|
|
|
|
|
if (present(ddot_gamma_dtau_neg)) then
|
|
|
|
|
significantNegativeTau2: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
|
|
|
|
|
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
|
|
|
|
* StressRatio_pminus1 / prm%tau_Peierls
|
|
|
|
|
dtk = -1.0_pReal * t_k / tau_neg
|
|
|
|
|
|
|
|
|
|
if (present(ddot_gamma_dtau_neg)) then
|
|
|
|
|
significantNegativeTau2: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
|
|
|
|
|
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
|
|
|
|
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_Peierls
|
|
|
|
|
dtk = -1.0_pReal * t_k / tau_neg
|
|
|
|
|
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
|
|
|
|
|
|
|
|
|
|
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
|
|
|
|
|
ddot_gamma_dtau_neg = b_rho_half * dvel
|
|
|
|
|
else where significantNegativeTau2
|
|
|
|
|
ddot_gamma_dtau_neg = 0.0_pReal
|
|
|
|
|
end where significantNegativeTau2
|
|
|
|
|
end if
|
|
|
|
|
|
|
|
|
|
ddot_gamma_dtau_neg = dot_gamma_0 * dvel * 0.5_pReal
|
|
|
|
|
else where significantNegativeTau2
|
|
|
|
|
ddot_gamma_dtau_neg = 0.0_pReal
|
|
|
|
|
end where significantNegativeTau2
|
|
|
|
|
end if
|
|
|
|
|
|
|
|
|
|
end associate
|
|
|
|
|
end associate
|
|
|
|
|
end associate
|
|
|
|
|
|
|
|
|
|
end subroutine kinetics
|
|
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|
|