variable name = parameter name
This commit is contained in:
Sharan Roongta
parent
03cf971f55
commit
87ae2447b9
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@ -20,15 +20,15 @@ submodule(constitutive:constitutive_plastic) plastic_disloTungsten
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b_sl, & !< magnitude of burgers vector [m]
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D_a, &
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i_sl, & !< Adj. parameter for distance between 2 forest dislocations
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atomicVolume, & !< factor to calculate atomic volume
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tau_0, & !< Peierls stress
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f_at, & !< factor to calculate atomic volume
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tau_peierls, & !< Peierls stress
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!* mobility law parameters
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delta_F, & !< activation energy for glide [J]
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v0, & !< dislocation velocity prefactor [m/s]
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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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kink_height, & !< height of the kink pair
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h, & !< height of the kink pair
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w, & !< width of the kink pair
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omega !< attempt frequency for kink pair nucleation
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real(pReal), allocatable, dimension(:,:) :: &
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@ -158,17 +158,17 @@ module function plastic_disloTungsten_init() result(myPlasticity)
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rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl))
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rho_dip_0 = pl%get_asFloats('rho_dip_0', requiredSize=size(N_sl))
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prm%v0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
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prm%v_0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
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prm%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
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prm%delta_F = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
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prm%Q_s = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
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prm%i_sl = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
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prm%tau_0 = pl%get_asFloats('tau_peierls', requiredSize=size(N_sl))
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prm%tau_peierls = pl%get_asFloats('tau_peierls', requiredSize=size(N_sl))
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prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl), &
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defaultVal=[(1.0_pReal,i=1,size(N_sl))])
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prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl), &
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defaultVal=[(1.0_pReal,i=1,size(N_sl))])
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prm%kink_height = pl%get_asFloats('h', requiredSize=size(N_sl))
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prm%h = pl%get_asFloats('h', requiredSize=size(N_sl))
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prm%w = pl%get_asFloats('w', requiredSize=size(N_sl))
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prm%omega = pl%get_asFloats('omega', requiredSize=size(N_sl))
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prm%B = pl%get_asFloats('B', requiredSize=size(N_sl))
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@ -176,7 +176,7 @@ module function plastic_disloTungsten_init() result(myPlasticity)
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prm%D = pl%get_asFloat('D')
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prm%D_0 = pl%get_asFloat('D_0')
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prm%Q_cl = pl%get_asFloat('Q_cl')
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prm%atomicVolume = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
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prm%f_at = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
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prm%D_a = pl%get_asFloat('D_a') * prm%b_sl
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prm%dipoleformation = pl%get_asBool('dipole_formation_factor', defaultVal = .true.)
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@ -186,16 +186,16 @@ module function plastic_disloTungsten_init() result(myPlasticity)
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rho_dip_0 = math_expand(rho_dip_0, N_sl)
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prm%q = math_expand(prm%q, N_sl)
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prm%p = math_expand(prm%p, N_sl)
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prm%delta_F = math_expand(prm%delta_F, N_sl)
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prm%Q_s = math_expand(prm%Q_s, N_sl)
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prm%b_sl = math_expand(prm%b_sl, N_sl)
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prm%kink_height = math_expand(prm%kink_height, N_sl)
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prm%h = math_expand(prm%h, N_sl)
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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_0 = math_expand(prm%tau_0, N_sl)
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prm%v0 = math_expand(prm%v0, 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%atomicVolume = math_expand(prm%atomicVolume, N_sl)
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prm%f_at = math_expand(prm%f_at, N_sl)
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prm%D_a = math_expand(prm%D_a, N_sl)
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! sanity checks
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@ -203,17 +203,17 @@ module function plastic_disloTungsten_init() result(myPlasticity)
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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%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_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%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
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if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
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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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if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' D_a or b_sl'
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if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl'
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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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allocate(prm%b_sl,prm%D_a,prm%i_sl,prm%atomicVolume,prm%tau_0, &
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prm%delta_F,prm%v0,prm%p,prm%q,prm%B,prm%kink_height,prm%w,prm%omega, &
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allocate(prm%b_sl,prm%D_a,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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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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@ -354,7 +354,7 @@ module subroutine plastic_disloTungsten_dotState(Mp,T,instance,of)
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dot_rho_dip_formation = merge(2.0_pReal*dip_distance* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation
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0.0_pReal, &
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prm%dipoleformation)
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v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*T)) &
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v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%f_at/(2.0_pReal*pi*kB*T)) &
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* (1.0_pReal/(dip_distance+prm%D_a))
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dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,of))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
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end where
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@ -477,12 +477,12 @@ pure subroutine kinetics(Mp,T,instance,of, &
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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%delta_F/(kB*T), &
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dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
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associate(BoltzmannRatio => prm%Q_s/(kB*T), &
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dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v_0, &
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effectiveLength => dst%Lambda_sl(:,of) - prm%w)
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significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
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StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0
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StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/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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needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
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@ -490,7 +490,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
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t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
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t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
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vel = prm%kink_height/(t_n + t_k)
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vel = prm%h/(t_n + t_k)
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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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@ -500,10 +500,10 @@ pure subroutine kinetics(Mp,T,instance,of, &
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if (present(ddot_gamma_dtau_pos)) then
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significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > 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_0
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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%kink_height * (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 = dot_gamma_0 * dvel* 0.5_pReal
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else where significantPositiveTau2
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@ -512,7 +512,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
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endif
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significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
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StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_0
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StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/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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needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
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@ -520,7 +520,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
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t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
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t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
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vel = prm%kink_height/(t_n + t_k)
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vel = prm%h/(t_n + t_k)
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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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@ -530,10 +530,10 @@ pure subroutine kinetics(Mp,T,instance,of, &
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if (present(ddot_gamma_dtau_neg)) then
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significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > 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_0
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* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_peierls
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dtk = -1.0_pReal * t_k / tau_neg
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dvel = -1.0_pReal * prm%kink_height * (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_neg = dot_gamma_0 * dvel * 0.5_pReal
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else where significantNegativeTau2
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