vectorized
This commit is contained in:
Martin Diehl
parent
ddecacb172
commit
9e03aae3bf
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@ -22,10 +22,6 @@ module plastic_disloUCLA
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real(pReal), parameter, private :: &
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real(pReal), parameter, private :: &
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kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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integer(pInt), dimension(:), allocatable, private :: &
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plastic_disloUCLA_totalNslip !< total number of active slip systems for each instance
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enum, bind(c)
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enum, bind(c)
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enumerator :: undefined_ID, &
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enumerator :: undefined_ID, &
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rho_ID, &
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rho_ID, &
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@ -185,9 +181,6 @@ subroutine plastic_disloUCLA_init()
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allocate(plastic_disloUCLA_output(maxval(phase_Noutput),maxNinstance))
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allocate(plastic_disloUCLA_output(maxval(phase_Noutput),maxNinstance))
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plastic_disloUCLA_output = ''
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plastic_disloUCLA_output = ''
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allocate(plastic_disloUCLA_totalNslip(maxNinstance), source=0_pInt)
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allocate(param(maxNinstance))
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allocate(param(maxNinstance))
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allocate(state(maxNinstance))
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allocate(state(maxNinstance))
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allocate(dotState(maxNinstance))
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allocate(dotState(maxNinstance))
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@ -248,7 +241,6 @@ subroutine plastic_disloUCLA_init()
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prm%minDipDistance = config_phase(p)%getFloat('cedgedipmindistance') * prm%burgers
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prm%minDipDistance = config_phase(p)%getFloat('cedgedipmindistance') * prm%burgers
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prm%dipoleformation = config_phase(p)%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default
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prm%dipoleformation = config_phase(p)%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default
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! expand: family => system
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! expand: family => system
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prm%rho0 = math_expand(prm%rho0, prm%Nslip)
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prm%rho0 = math_expand(prm%rho0, prm%Nslip)
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prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip)
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prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip)
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@ -266,7 +258,6 @@ subroutine plastic_disloUCLA_init()
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prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip)
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prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip)
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prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip)
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prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip)
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plastic_disloUCLA_totalNslip(phase_plasticityInstance(p)) = prm%totalNslip
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!if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) &
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!if (plastic_disloUCLA_CAtomicVolume(instance) <= 0.0_pReal) &
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! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')')
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! call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOUCLA_label//')')
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! if (prm%D0 <= 0.0_pReal) &
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! if (prm%D0 <= 0.0_pReal) &
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@ -439,7 +430,7 @@ end subroutine plastic_disloUCLA_dependentState
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates plastic velocity gradient and its tangent
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!> @brief calculates plastic velocity gradient and its tangent
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of)
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pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of)
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implicit none
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implicit none
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integer(pInt), intent(in) :: instance, of
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integer(pInt), intent(in) :: instance, of
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@ -496,7 +487,7 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
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real(pReal) :: &
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real(pReal) :: &
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VacancyDiffusion
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VacancyDiffusion
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real(pReal), dimension(plastic_disloUCLA_totalNslip(instance)) :: &
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real(pReal), dimension(param(instance)%totalNslip) :: &
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gdot_slip_pos, gdot_slip_neg,&
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gdot_slip_pos, gdot_slip_neg,&
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tau_slip_pos,&
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tau_slip_pos,&
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tau_slip_neg, &
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tau_slip_neg, &
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@ -629,7 +620,7 @@ end function plastic_disloUCLA_postResults
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief return array of constitutive results
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!> @brief return array of constitutive results
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
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pure subroutine kinetics(prm,stt,dst,Mp,Temperature,of, &
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gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg)
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gdot_slip_pos,dgdot_dtauslip_pos,tau_slip_pos,gdot_slip_neg,dgdot_dtauslip_neg,tau_slip_neg)
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use prec, only: &
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use prec, only: &
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tol_math_check, &
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tol_math_check, &
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@ -661,11 +652,6 @@ math_mul33xx33
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StressRatio_p,StressRatio_pminus1, &
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StressRatio_p,StressRatio_pminus1, &
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DotGamma0, dvel_slip, vel_slip
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DotGamma0, dvel_slip, vel_slip
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gdot_slip_pos = 0.0_pReal
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gdot_slip_neg = 0.0_pReal
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dgdot_dtauslip_pos = 0.0_pReal
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dgdot_dtauslip_neg = 0.0_pReal
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do j = 1_pInt, prm%totalNslip
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do j = 1_pInt, prm%totalNslip
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tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
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tau_slip_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
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tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
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tau_slip_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
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@ -674,127 +660,131 @@ math_mul33xx33
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BoltzmannRatio = prm%H0kp/(kB*Temperature)
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BoltzmannRatio = prm%H0kp/(kB*Temperature)
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DotGamma0 = stt%rhoEdge(:,of)*prm%burgers*prm%v0
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DotGamma0 = stt%rhoEdge(:,of)*prm%burgers*prm%v0
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do j = 1_pInt, prm%totalNslip
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significantPositiveTau: where(abs(tau_slip_pos)-dst%threshold_stress(:,of) > tol_math_check)
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significantPositiveTau: if(abs(tau_slip_pos(j))-dst%threshold_stress(j,of) > tol_math_check) then
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StressRatio = (abs(tau_slip_pos)-dst%threshold_stress(:,of)) &
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StressRatio(j) = (abs(tau_slip_pos(j))-dst%threshold_stress(j,of)) &
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/ (prm%solidSolutionStrength+prm%tau_Peierls)
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/ (prm%solidSolutionStrength+prm%tau_Peierls(j))
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StressRatio_p = StressRatio** prm%p
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StressRatio_p(j) = StressRatio(j)** prm%p(j)
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StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
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StressRatio_pminus1(j) = StressRatio(j)**(prm%p(j)-1.0_pReal)
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vel_slip(j) = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) &
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vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
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* ( dst%mfp(j,of) - prm%kink_width(j) ) &
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* ( dst%mfp(:,of) - prm%kink_width ) &
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* (tau_slip_pos(j) &
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* (tau_slip_pos &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) ) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
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/ ( &
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/ ( &
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2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) &
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2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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)
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)
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gdot_slip_pos(j) = DotGamma0(j) * sign(vel_slip(j),tau_slip_pos(j))
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gdot_slip_pos = DotGamma0 * sign(vel_slip,tau_slip_pos)
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dvel_slip(j) = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) &
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dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
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* ( dst%mfp(j,of) - prm%kink_width(j) ) &
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* ( dst%mfp(:,of) - prm%kink_width ) &
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* ( &
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* ( &
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(exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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+ tau_slip_pos(j) &
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+ tau_slip_pos &
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* (abs(exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)))&
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* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
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*BoltzmannRatio(j)*prm%p(j)&
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*BoltzmannRatio*prm%p&
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*prm%q(j)/&
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*prm%q/&
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(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
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(prm%solidSolutionStrength+prm%tau_Peierls)*&
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StressRatio_pminus1(j)*(1-StressRatio_p(j))**(prm%q(j)-1.0_pReal) ) &
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StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) &
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) &
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) &
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* (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) &
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* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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) &
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) &
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- (tau_slip_pos(j) &
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- (tau_slip_pos &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) ) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
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* (2.0_pReal*(prm%burgers(j)**2.0_pReal) &
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* (2.0_pReal*(prm%burgers**2.0_pReal) &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* (abs(exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)))&
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* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
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*BoltzmannRatio(j)*prm%p(j)&
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*BoltzmannRatio*prm%p&
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*prm%q(j)/&
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*prm%q/&
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(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
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(prm%solidSolutionStrength+prm%tau_Peierls)*&
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StressRatio_pminus1(j)*(1-StressRatio_p(j))**(prm%q(j)-1.0_pReal) )&
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StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
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) &
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) &
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) &
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) &
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/ ( &
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/ ( &
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( &
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( &
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2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_pos(j) &
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2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_pos &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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)**2.0_pReal &
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)**2.0_pReal &
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)
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)
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dgdot_dtauslip_pos(j) = DotGamma0(j) * dvel_slip(j)
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dgdot_dtauslip_pos = DotGamma0 * dvel_slip
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else where significantPositiveTau
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gdot_slip_pos = 0.0_pReal
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dgdot_dtauslip_pos = 0.0_pReal
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end where significantPositiveTau
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endif significantPositiveTau
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significantNegativeTau: where(abs(tau_slip_neg)-dst%threshold_stress(:,of) > tol_math_check)
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StressRatio = (abs(tau_slip_neg)-dst%threshold_stress(:,of)) &
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/ (prm%solidSolutionStrength+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: if(abs(tau_slip_neg(j))-dst%threshold_stress(j,of) > tol_math_check) then
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vel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
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StressRatio(j) = (abs(tau_slip_neg(j))-dst%threshold_stress(j,of)) &
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* ( dst%mfp(:,of) - prm%kink_width ) &
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/ (prm%solidSolutionStrength+prm%tau_Peierls(j))
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* (tau_slip_neg &
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StressRatio_p(j) = StressRatio(j)** prm%p(j)
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
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StressRatio_pminus1(j) = StressRatio(j)**(prm%p(j)-1.0_pReal)
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vel_slip(j) = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) &
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* ( dst%mfp(j,of) - prm%kink_width(j) ) &
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* (tau_slip_neg(j) &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) ) &
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/ ( &
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/ ( &
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2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) &
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2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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)
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)
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gdot_slip_neg(j) = DotGamma0(j) * sign(vel_slip(j),tau_slip_neg(j))
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gdot_slip_neg = DotGamma0 * sign(vel_slip,tau_slip_neg)
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dvel_slip(j) = 2.0_pReal*prm%burgers(j) * prm%kink_height(j) * prm%omega(j) &
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dvel_slip = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega &
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* ( dst%mfp(j,of) - prm%kink_width(j) ) &
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* ( dst%mfp(:,of) - prm%kink_width ) &
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* ( &
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* ( &
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(exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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+ tau_slip_neg(j) &
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+ tau_slip_neg &
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* (abs(exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)))&
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* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
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*BoltzmannRatio(j)*prm%p(j)&
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*BoltzmannRatio*prm%p&
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*prm%q(j)/&
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*prm%q/&
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(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
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(prm%solidSolutionStrength+prm%tau_Peierls)*&
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StressRatio_pminus1(j)*(1-StressRatio_p(j))**(prm%q(j)-1.0_pReal) ) &
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StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) ) &
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) &
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) &
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* (2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) &
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* (2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
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) &
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) &
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- (tau_slip_neg(j) &
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- (tau_slip_neg &
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* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) ) &
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* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) ) &
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* (2.0_pReal*(prm%burgers(j)**2.0_pReal) &
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* (2.0_pReal*(prm%burgers**2.0_pReal) &
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+ prm%omega(j) * prm%B(j) &
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+ prm%omega * prm%B &
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*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
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*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
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* (abs(exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)))&
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* (abs(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q))&
|
||||||
*BoltzmannRatio(j)*prm%p(j)&
|
*BoltzmannRatio*prm%p&
|
||||||
*prm%q(j)/&
|
*prm%q/&
|
||||||
(prm%solidSolutionStrength+prm%tau_Peierls(j))*&
|
(prm%solidSolutionStrength+prm%tau_Peierls)*&
|
||||||
StressRatio_pminus1(j)*(1-StressRatio_p(j))**(prm%q(j)-1.0_pReal) )&
|
StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
|
||||||
) &
|
) &
|
||||||
) &
|
) &
|
||||||
/ ( &
|
/ ( &
|
||||||
( &
|
( &
|
||||||
2.0_pReal*(prm%burgers(j)**2.0_pReal)*tau_slip_neg(j) &
|
2.0_pReal*(prm%burgers**2.0_pReal)*tau_slip_neg &
|
||||||
+ prm%omega(j) * prm%B(j) &
|
+ prm%omega * prm%B &
|
||||||
*(( dst%mfp(j,of) - prm%kink_width(j) )**2.0_pReal) &
|
*(( dst%mfp(:,of) - prm%kink_width )**2.0_pReal) &
|
||||||
* exp(-BoltzmannRatio(j)*(1-StressRatio_p(j)) ** prm%q(j)) &
|
* exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) &
|
||||||
)**2.0_pReal &
|
)**2.0_pReal &
|
||||||
)
|
)
|
||||||
|
|
||||||
|
|
||||||
dgdot_dtauslip_neg(j) = DotGamma0(j) * dvel_slip(j)
|
dgdot_dtauslip_neg = DotGamma0 * dvel_slip
|
||||||
endif significantNegativeTau
|
else where significantNegativeTau
|
||||||
enddo
|
gdot_slip_neg = 0.0_pReal
|
||||||
|
dgdot_dtauslip_neg = 0.0_pReal
|
||||||
|
end where significantNegativeTau
|
||||||
|
|
||||||
|
|
||||||
end subroutine kinetics
|
end subroutine kinetics
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue