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This commit is contained in:
Martin Diehl 2021-01-26 08:39:17 +01:00
parent 85dcd7af16
commit 5064e65a42
9 changed files with 305 additions and 325 deletions
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4
src/phase.f90
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@ -266,7 +266,7 @@ module constitutive
end subroutine plastic_nonlocal_updateCompatibility
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -275,7 +275,7 @@ module constitutive
Mi !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_isotropic_LiAndItsTangent
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)

91
src/phase_mechanics.f90
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@ -83,51 +83,51 @@ submodule(constitutive) constitutive_mech
myPlasticity
end function plastic_nonlocal_init
module subroutine plastic_isotropic_dotState(Mp,instance,of)
module subroutine plastic_isotropic_dotState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_isotropic_dotState
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_phenopowerlaw_dotState
module subroutine plastic_kinehardening_dotState(Mp,instance,of)
module subroutine plastic_kinehardening_dotState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_kinehardening_dotState
module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
module subroutine plastic_dislotwin_dotState(Mp,T,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_dislotwin_dotState
module subroutine plastic_disloTungsten_dotState(Mp,T,instance,of)
module subroutine plastic_disloTungsten_dotState(Mp,T,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_disloTungsten_dotState
module subroutine plastic_nonlocal_dotState(Mp,Temperature,timestep,instance,of,ip,el)
module subroutine plastic_nonlocal_dotState(Mp,Temperature,timestep,instance,me,ip,el)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress
real(pReal), intent(in) :: &
@ -135,77 +135,78 @@ submodule(constitutive) constitutive_mech
timestep !< substepped crystallite time increment
integer, intent(in) :: &
instance, &
of, &
me, &
ip, & !< current integration point
el !< current element number
end subroutine plastic_nonlocal_dotState
module subroutine plastic_dislotwin_dependentState(T,instance,of)
module subroutine plastic_dislotwin_dependentState(T,instance,me)
integer, intent(in) :: &
instance, &
of
me
real(pReal), intent(in) :: &
T
end subroutine plastic_dislotwin_dependentState
module subroutine plastic_dislotungsten_dependentState(instance,of)
module subroutine plastic_dislotungsten_dependentState(instance,me)
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_dislotungsten_dependentState
module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
module subroutine plastic_nonlocal_dependentState(instance, me, ip, el)
integer, intent(in) :: &
instance, &
of, &
me, &
ip, & !< current integration point
el !< current element number
end subroutine plastic_nonlocal_dependentState
module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
module subroutine plastic_kinehardening_deltaState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
end subroutine plastic_kinehardening_deltaState
module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
real(pReal), dimension(3,3), intent(in) :: &
Mp
integer, intent(in) :: &
instance, &
of, &
me, &
ip, &
el
end subroutine plastic_nonlocal_deltaState
module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
end subroutine constitutive_plastic_LpAndItsTangents
module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_cleavage_opening_init
end subroutine constitutive_plastic_LpAndItsTangents
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_slipplane_opening_init
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_cleavage_opening_init
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_slipplane_opening_init
module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance

70
src/phase_mechanics_plastic.f90
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@ -1,81 +1,79 @@
submodule(constitutive:constitutive_mech) plastic
interface
module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
Mp
integer, intent(in) :: &
instance, &
of
me
end subroutine isotropic_LpAndItsTangent
pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
dLp_dMp
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
Mp
integer, intent(in) :: &
instance, &
of
me
end subroutine phenopowerlaw_LpAndItsTangent
pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
dLp_dMp
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
Mp
integer, intent(in) :: &
instance, &
of
me
end subroutine kinehardening_LpAndItsTangent
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
dLp_dMp
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
Mp
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
me
end subroutine dislotwin_LpAndItsTangent
pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
dLp_dMp
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
Mp
real(pReal), intent(in) :: &
T
integer, intent(in) :: &
instance, &
of
me
end subroutine dislotungsten_LpAndItsTangent
module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,instance,of,ip,el)
Mp,Temperature,instance,me,ip,el)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
dLp_dMp
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -83,13 +81,13 @@ submodule(constitutive:constitutive_mech) plastic
Temperature
integer, intent(in) :: &
instance, &
of, &
me, &
ip, & !< current integration point
el !< current element number
end subroutine nonlocal_LpAndItsTangent
end interface
contains
!--------------------------------------------------------------------------------------------------
@ -110,7 +108,7 @@ module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
dLp_dFi !< derivative me Lp with respect to Fi
real(pReal), dimension(3,3,3,3) :: &
dLp_dMp !< derivative of Lp with respect to Mandel stress
@ -158,5 +156,5 @@ module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
enddo; enddo
end subroutine constitutive_plastic_LpAndItsTangents
end submodule plastic

62
src/phase_mechanics_plastic_dislotungsten.f90
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@ -17,7 +17,7 @@ submodule(constitutive:plastic) dislotungsten
D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Q_cl = 1.0_pReal !< activation energy for dislocation climb
real(pReal), allocatable, dimension(:) :: &
b_sl, & !< magnitude of Burgers vector [m]
b_sl, & !< magnitude me Burgers vector [m]
D_a, &
i_sl, & !< Adj. parameter for distance between 2 forest dislocations
f_at, & !< factor to calculate atomic volume
@ -273,7 +273,7 @@ end function plastic_dislotungsten_init
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of)
Mp,T,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -285,7 +285,7 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
T !< temperature
integer, intent(in) :: &
instance, &
of
me
integer :: &
i,k,l,m,n
@ -298,7 +298,7 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
associate(prm => param(instance))
call kinetics(Mp,T,instance,of,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
call kinetics(Mp,T,instance,me,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
do i = 1, prm%sum_N_sl
Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(i))*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -315,7 +315,7 @@ end subroutine dislotungsten_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotungsten_dotState(Mp,T,instance,of)
module subroutine plastic_dislotungsten_dotState(Mp,T,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -323,7 +323,7 @@ module subroutine plastic_dislotungsten_dotState(Mp,T,instance,of)
T !< temperature
integer, intent(in) :: &
instance, &
of
me
real(pReal) :: &
VacancyDiffusion
@ -338,11 +338,11 @@ module subroutine plastic_dislotungsten_dotState(Mp,T,instance,of)
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
call kinetics(Mp,T,instance,of,&
call kinetics(Mp,T,instance,me,&
gdot_pos,gdot_neg, &
tau_pos_out = tau_pos,tau_neg_out = tau_neg)
dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
dot%gamma_sl(:,me) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D_0*exp(-prm%Q_cl/(kB*T))
where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
@ -351,20 +351,20 @@ module subroutine plastic_dislotungsten_dotState(Mp,T,instance,of)
else where
dip_distance = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), &
prm%D_a, & ! lower limit
dst%Lambda_sl(:,of)) ! upper limit
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
dst%Lambda_sl(:,me)) ! upper limit
dot_rho_dip_formation = merge(2.0_pReal*dip_distance* stt%rho_mob(:,me)*abs(dot%gamma_sl(:,me))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, &
prm%dipoleformation)
v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%f_at/(2.0_pReal*pi*kB*T)) &
* (1.0_pReal/(dip_distance+prm%D_a))
dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,of))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,me))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
end where
dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%b_sl*dst%Lambda_sl(:,of)) & ! multiplication
dot%rho_mob(:,me) = abs(dot%gamma_sl(:,me))/(prm%b_sl*dst%Lambda_sl(:,me)) & ! multiplication
- dot_rho_dip_formation &
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) ! Spontaneous annihilation of 2 single edge dislocations
dot%rho_dip(:,of) = dot_rho_dip_formation &
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,me)*abs(dot%gamma_sl(:,me)) ! Spontaneous annihilation of 2 single edge dislocations
dot%rho_dip(:,me) = dot_rho_dip_formation &
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,me)*abs(dot%gamma_sl(:,me)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent
- dot_rho_dip_climb
end associate
@ -375,22 +375,22 @@ end subroutine plastic_dislotungsten_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate derived quantities from state.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotungsten_dependentState(instance,of)
module subroutine plastic_dislotungsten_dependentState(instance,me)
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(param(instance)%sum_N_sl) :: &
dislocationSpacing
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
dislocationSpacing = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,of)+stt%rho_dip(:,of)))
dst%threshold_stress(:,of) = prm%mu*prm%b_sl &
* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,of)+stt%rho_dip(:,of)))
dislocationSpacing = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,me)+stt%rho_dip(:,me)))
dst%threshold_stress(:,me) = prm%mu*prm%b_sl &
* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,me)+stt%rho_dip(:,me)))
dst%Lambda_sl(:,of) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
dst%Lambda_sl(:,me) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
end associate
@ -439,7 +439,7 @@ end subroutine plastic_dislotungsten_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,T,instance,of, &
pure subroutine kinetics(Mp,T,instance,me, &
dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg,tau_pos_out,tau_neg_out)
real(pReal), dimension(3,3), intent(in) :: &
@ -448,7 +448,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
T !< temperature
integer, intent(in) :: &
instance, &
of
me
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
dot_gamma_pos, &
@ -479,11 +479,11 @@ pure subroutine kinetics(Mp,T,instance,of, &
if (present(tau_neg_out)) tau_neg_out = tau_neg
associate(BoltzmannRatio => prm%Q_s/(kB*T), &
dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v_0, &
effectiveLength => dst%Lambda_sl(:,of) - prm%w)
dot_gamma_0 => stt%rho_mob(:,me)*prm%b_sl*prm%v_0, &
effectiveLength => dst%Lambda_sl(:,me) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_Peierls
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,me) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,me))/prm%tau_Peierls
StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
@ -499,7 +499,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
end where significantPositiveTau
if (present(ddot_gamma_dtau_pos)) then
significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,me) > 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_pos
@ -512,8 +512,8 @@ pure subroutine kinetics(Mp,T,instance,of, &
end where significantPositiveTau2
endif
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_Peierls
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,me) > tol_math_check)
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,me))/prm%tau_Peierls
StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
@ -529,7 +529,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
end where significantNegativeTau
if (present(ddot_gamma_dtau_neg)) then
significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,me) > 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

124
src/phase_mechanics_plastic_dislotwin.f90
View File

@ -521,12 +521,12 @@ end function plastic_dislotwin_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,me)
real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
real(pReal), dimension(3,3), intent(in) :: Mp
integer, intent(in) :: instance,of
integer, intent(in) :: instance,me
real(pReal), intent(in) :: T
integer :: i,k,l,m,n
@ -567,13 +567,13 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
associate(prm => param(instance), stt => state(instance))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%f_tr(1:prm%sum_N_tr,of))
- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
- sum(stt%f_tr(1:prm%sum_N_tr,me))
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,ddot_gamma_dtau_slip)
call kinetics_slip(Mp,T,instance,me,dot_gamma_sl,ddot_gamma_dtau_slip)
slipContribution: do i = 1, prm%sum_N_sl
Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -581,7 +581,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
+ ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
enddo slipContribution
call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,ddot_gamma_dtau_twin)
call kinetics_twin(Mp,T,dot_gamma_sl,instance,me,dot_gamma_twin,ddot_gamma_dtau_twin)
twinContibution: do i = 1, prm%sum_N_tw
Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -589,7 +589,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
+ ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
enddo twinContibution
call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,ddot_gamma_dtau_trans)
call kinetics_trans(Mp,T,dot_gamma_sl,instance,me,dot_gamma_tr,ddot_gamma_dtau_trans)
transContibution: do i = 1, prm%sum_N_tr
Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -634,7 +634,7 @@ end subroutine dislotwin_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
module subroutine plastic_dislotwin_dotState(Mp,T,instance,me)
real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress
@ -642,7 +642,7 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
T !< temperature at integration point
integer, intent(in) :: &
instance, &
of
me
integer :: i
real(pReal) :: &
@ -667,11 +667,11 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
dot => dotState(instance), dst => dependentState(instance))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%f_tr(1:prm%sum_N_tr,of))
- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
- sum(stt%f_tr(1:prm%sum_N_tr,me))
call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
dot%gamma_sl(:,of) = abs(dot_gamma_sl)
call kinetics_slip(Mp,T,instance,me,dot_gamma_sl)
dot%gamma_sl(:,me) = abs(dot_gamma_sl)
rho_dip_distance_min = prm%D_a*prm%b_sl
@ -683,12 +683,12 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
dot_rho_dip_climb(i) = 0.0_pReal
else significantSlipStress
rho_dip_distance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,of))
rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,me))
rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i))
if (prm%dipoleFormation) then
dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) &
* stt%rho_mob(i,of)*abs(dot_gamma_sl(i))
* stt%rho_mob(i,me)*abs(dot_gamma_sl(i))
else
dot_rho_dip_formation(i) = 0.0_pReal
endif
@ -707,25 +707,25 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(kB*T)) &
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,of) &
dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,me) &
/ (rho_dip_distance-rho_dip_distance_min(i))
endif
endif significantSlipStress
enddo slipState
dot%rho_mob(:,of) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) &
dot%rho_mob(:,me) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,me)) &
- dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_mob(:,of)*abs(dot_gamma_sl)
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_mob(:,me)*abs(dot_gamma_sl)
dot%rho_dip(:,of) = dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,of)*abs(dot_gamma_sl) &
dot%rho_dip(:,me) = dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,me)*abs(dot_gamma_sl) &
- dot_rho_dip_climb
call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin)
dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%gamma_char
call kinetics_twin(Mp,T,dot_gamma_sl,instance,me,dot_gamma_twin)
dot%f_tw(:,me) = f_unrotated*dot_gamma_twin/prm%gamma_char
call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr)
dot%f_tr(:,of) = f_unrotated*dot_gamma_tr
call kinetics_trans(Mp,T,dot_gamma_sl,instance,me,dot_gamma_tr)
dot%f_tr(:,me) = f_unrotated*dot_gamma_tr
end associate
@ -735,11 +735,11 @@ end subroutine plastic_dislotwin_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate derived quantities from state.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotwin_dependentState(T,instance,of)
module subroutine plastic_dislotwin_dependentState(T,instance,me)
integer, intent(in) :: &
instance, &
of
me
real(pReal), intent(in) :: &
T
@ -763,18 +763,18 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
stt => state(instance),&
dst => dependentState(instance))
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,of))
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,me))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,me))
Gamma = prm%Gamma_sf_0K + prm%dGamma_sf_dT * T
!* rescaled volume fraction for topology
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw ! this is per system ...
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,me)/prm%t_tw ! this is per system ...
f_over_t_tr = sumf_trans/prm%t_tr ! but this not
! ToDo ...Physically correct, but naming could be adjusted
inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, &
stt%rho_mob(:,of)+stt%rho_dip(:,of)))/prm%i_sl
stt%rho_mob(:,me)+stt%rho_dip(:,me)))/prm%i_sl
if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tw = matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
@ -787,37 +787,37 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here
dst%Lambda_sl(:,of) = prm%D &
dst%Lambda_sl(:,me) = prm%D &
/ (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
else
dst%Lambda_sl(:,of) = prm%D &
dst%Lambda_sl(:,me) = prm%D &
/ (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct?
endif
dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
dst%Lambda_tw(:,me) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
dst%Lambda_tr(:,me) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
!* threshold stress for dislocation motion
dst%tau_pass(:,of) = prm%mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,of)+stt%rho_dip(:,of)))
dst%tau_pass(:,me) = prm%mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,me)+stt%rho_dip(:,me)))
!* threshold stress for growing twin/martensite
if(prm%sum_N_tw == prm%sum_N_sl) &
dst%tau_hat_tw(:,of) = Gamma/(3.0_pReal*prm%b_tw) &
dst%tau_hat_tw(:,me) = Gamma/(3.0_pReal*prm%b_tw) &
+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl) ! slip Burgers here correct?
if(prm%sum_N_tr == prm%sum_N_sl) &
dst%tau_hat_tr(:,of) = Gamma/(3.0_pReal*prm%b_tr) &
dst%tau_hat_tr(:,me) = Gamma/(3.0_pReal*prm%b_tr) &
+ 3.0_pReal*prm%b_tr*prm%mu/(prm%L_tr*prm%b_sl) & ! slip Burgers here correct?
+ prm%h*prm%delta_G/ (3.0_pReal*prm%b_tr)
dst%V_tw(:,of) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,of)**2.0_pReal
dst%V_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal
dst%V_tw(:,me) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,me)**2.0_pReal
dst%V_tr(:,me) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,me)**2.0_pReal
x0 = prm%mu*prm%b_tw**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the Burgers vector for slip and is the same for twin and trans
dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tw)+cos(pi/3.0_pReal)/x0)
dst%tau_r_tw(:,me) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tw)+cos(pi/3.0_pReal)/x0)
x0 = prm%mu*prm%b_tr**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the Burgers vector for slip
dst%tau_r_tr(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tr)+cos(pi/3.0_pReal)/x0)
dst%tau_r_tr(:,me) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tr)+cos(pi/3.0_pReal)/x0)
end associate
@ -882,7 +882,7 @@ end subroutine plastic_dislotwin_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,T,instance,of, &
pure subroutine kinetics_slip(Mp,T,instance,me, &
dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
real(pReal), dimension(3,3), intent(in) :: &
@ -891,7 +891,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
T !< temperature
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: &
dot_gamma_sl
@ -920,7 +920,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
tau(i) = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
enddo
tau_eff = abs(tau)-dst%tau_pass(:,of)
tau_eff = abs(tau)-dst%tau_pass(:,me)
significantStress: where(tau_eff > tol_math_check)
stressRatio = tau_eff/prm%tau_0
@ -929,7 +929,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q)
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
dot_gamma_sl = sign(stt%rho_mob(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
dot_gamma_sl = sign(stt%rho_mob(:,me)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * BoltzmannRatio &
* (stressRatio**(prm%p-1.0_pReal)) &
@ -938,7 +938,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
/ (v_wait_inverse+v_run_inverse)**2.0_pReal
ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl
ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,me)*prm%b_sl
else where significantStress
dot_gamma_sl = 0.0_pReal
ddot_gamma_dtau = 0.0_pReal
@ -959,7 +959,7 @@ end subroutine kinetics_slip
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
dot_gamma_twin,ddot_gamma_dtau_twin)
real(pReal), dimension(3,3), intent(in) :: &
@ -968,7 +968,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
T !< temperature
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
dot_gamma_sl
@ -992,11 +992,11 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tw(i,of)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
if (tau(i) < dst%tau_r_tw(i,me)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,me)+stt%rho_dip(s2,me))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,me)+stt%rho_dip(s1,me)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L_tw*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,of)-tau(i)))) ! P_ncs
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,me)-tau(i)))) ! P_ncs
else
Ndot0=0.0_pReal
end if
@ -1006,8 +1006,8 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
enddo
significantStress: where(tau > tol_math_check)
StressRatio_r = (dst%tau_hat_tw(:,of)/tau)**prm%r
dot_gamma_twin = prm%gamma_char * dst%V_tw(:,of) * Ndot0*exp(-StressRatio_r)
StressRatio_r = (dst%tau_hat_tw(:,me)/tau)**prm%r
dot_gamma_twin = prm%gamma_char * dst%V_tw(:,me) * Ndot0*exp(-StressRatio_r)
ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
else where significantStress
dot_gamma_twin = 0.0_pReal
@ -1028,7 +1028,7 @@ end subroutine kinetics_twin
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,me,&
dot_gamma_tr,ddot_gamma_dtau_trans)
real(pReal), dimension(3,3), intent(in) :: &
@ -1037,7 +1037,7 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
T !< temperature
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
dot_gamma_sl
@ -1060,11 +1060,11 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tr(i,of)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
if (tau(i) < dst%tau_r_tr(i,me)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,me)+stt%rho_dip(s2,me))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,me)+stt%rho_dip(s1,me)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L_tr*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,of)-tau(i)))) ! P_ncs
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,me)-tau(i)))) ! P_ncs
else
Ndot0=0.0_pReal
end if
@ -1074,8 +1074,8 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
enddo
significantStress: where(tau > tol_math_check)
StressRatio_s = (dst%tau_hat_tr(:,of)/tau)**prm%s
dot_gamma_tr = dst%V_tr(:,of) * Ndot0*exp(-StressRatio_s)
StressRatio_s = (dst%tau_hat_tr(:,me)/tau)**prm%s
dot_gamma_tr = dst%V_tr(:,me) * Ndot0*exp(-StressRatio_s)
ddot_gamma_dtau = (dot_gamma_tr*prm%s/tau)*StressRatio_s
else where significantStress
dot_gamma_tr = 0.0_pReal

47
src/phase_mechanics_plastic_isotropic.f90
View File

@ -168,7 +168,7 @@ end function plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
@ -179,7 +179,7 @@ module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(3,3) :: &
Mp_dev !< deviatoric part of the Mandel stress
@ -197,17 +197,9 @@ module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
norm_Mp_dev = sqrt(squarenorm_Mp_dev)
if (norm_Mp_dev > 0.0_pReal) then
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pReal) * norm_Mp_dev/(prm%M*stt%xi(of))) **prm%n
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pReal) * norm_Mp_dev/(prm%M*stt%xi(me))) **prm%n
Lp = dot_gamma/prm%M * Mp_dev/norm_Mp_dev
#ifdef DEBUG
if (debugConstitutive%extensive .and. (of == prm%of_debug .or. .not. debugConstitutive%selective)) then
print'(/,a,/,3(12x,3(f12.4,1x)/))', '<< CONST isotropic >> Tstar (dev) / MPa', &
transpose(Mp_dev)*1.0e-6_pReal
print'(/,a,/,f12.5)', '<< CONST isotropic >> norm Tstar / MPa', norm_Mp_dev*1.0e-6_pReal
print'(/,a,/,f12.5)', '<< CONST isotropic >> gdot', dot_gamma
end if
#endif
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = (prm%n-1.0_pReal) * Mp_dev(k,l)*Mp_dev(m,n) / squarenorm_Mp_dev
forall (k=1:3,l=1:3) &
@ -228,7 +220,7 @@ end subroutine isotropic_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate inelastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
@ -239,7 +231,7 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
Mi !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal) :: &
tr !< trace of spherical part of Mandel stress (= 3 x pressure)
@ -252,19 +244,10 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
if (prm%dilatation .and. abs(tr) > 0.0_pReal) then ! no stress or J2 plasticity --> Li and its derivative are zero
Li = math_I3 &
* prm%dot_gamma_0/prm%M * (3.0_pReal*prm%M*stt%xi(of))**(-prm%n) &
* prm%dot_gamma_0/prm%M * (3.0_pReal*prm%M*stt%xi(me))**(-prm%n) &
* tr * abs(tr)**(prm%n-1.0_pReal)
#ifdef DEBUG
if (debugConstitutive%extensive .and. (of == prm%of_debug .or. .not. debugConstitutive%selective)) then
print'(/,a,/,f12.5)', '<< CONST isotropic >> pressure / MPa', tr/3.0_pReal*1.0e-6_pReal
print'(/,a,/,f12.5)', '<< CONST isotropic >> gdot', prm%dot_gamma_0 * (3.0_pReal*prm%M*stt%xi(of))**(-prm%n) &
* tr * abs(tr)**(prm%n-1.0_pReal)
end if
#endif
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLi_dMi(k,l,m,n) = prm%n / tr * Li(k,l) * math_I3(m,n)
forall (k=1:3,l=1:3,m=1:3,n=1:3) dLi_dMi(k,l,m,n) = prm%n / tr * Li(k,l) * math_I3(m,n)
else
Li = 0.0_pReal
@ -279,13 +262,13 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
!--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_dotState(Mp,instance,of)
module subroutine plastic_isotropic_dotState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal) :: &
dot_gamma, & !< strainrate
@ -300,7 +283,7 @@ module subroutine plastic_isotropic_dotState(Mp,instance,of)
norm_Mp = sqrt(math_tensordot(math_deviatoric33(Mp),math_deviatoric33(Mp)))
endif
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pReal) * norm_Mp /(prm%M*stt%xi(of))) **prm%n
dot_gamma = prm%dot_gamma_0 * (sqrt(1.5_pReal) * norm_Mp /(prm%M*stt%xi(me))) **prm%n
if (dot_gamma > 1e-12_pReal) then
if (dEq0(prm%c_1)) then
@ -310,15 +293,15 @@ module subroutine plastic_isotropic_dotState(Mp,instance,of)
+ asinh( (dot_gamma / prm%c_1)**(1.0_pReal / prm%c_2))**(1.0_pReal / prm%c_3) &
/ prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pReal / prm%n)
endif
dot%xi(of) = dot_gamma &
dot%xi(me) = dot_gamma &
* ( prm%h_0 + prm%h_ln * log(dot_gamma) ) &
* abs( 1.0_pReal - stt%xi(of)/xi_inf_star )**prm%a &
* sign(1.0_pReal, 1.0_pReal - stt%xi(of)/xi_inf_star)
* abs( 1.0_pReal - stt%xi(me)/xi_inf_star )**prm%a &
* sign(1.0_pReal, 1.0_pReal - stt%xi(me)/xi_inf_star)
else
dot%xi(of) = 0.0_pReal
dot%xi(me) = 0.0_pReal
endif
dot%gamma(of) = dot_gamma ! ToDo: not really used
dot%gamma(me) = dot_gamma ! ToDo: not really used
end associate

64
src/phase_mechanics_plastic_kinehardening.f90
View File

@ -240,7 +240,7 @@ end function plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
@ -251,7 +251,7 @@ pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
integer :: &
i,k,l,m,n
@ -264,7 +264,7 @@ pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
associate(prm => param(instance))
call kinetics(Mp,instance,of,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
call kinetics(Mp,instance,me,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
do i = 1, prm%sum_N_sl
Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%P(1:3,1:3,i)
@ -282,13 +282,13 @@ end subroutine kinehardening_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_dotState(Mp,instance,of)
module subroutine plastic_kinehardening_dotState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal) :: &
sumGamma
@ -298,22 +298,22 @@ module subroutine plastic_kinehardening_dotState(Mp,instance,of)
associate(prm => param(instance), stt => state(instance), dot => dotState(instance))
call kinetics(Mp,instance,of,gdot_pos,gdot_neg)
dot%accshear(:,of) = abs(gdot_pos+gdot_neg)
sumGamma = sum(stt%accshear(:,of))
call kinetics(Mp,instance,me,gdot_pos,gdot_neg)
dot%accshear(:,me) = abs(gdot_pos+gdot_neg)
sumGamma = sum(stt%accshear(:,me))
dot%crss(:,of) = matmul(prm%interaction_SlipSlip,dot%accshear(:,of)) &
dot%crss(:,me) = matmul(prm%interaction_SlipSlip,dot%accshear(:,me)) &
* ( prm%h_inf_f &
+ (prm%h_0_f - prm%h_inf_f + prm%h_0_f*prm%h_inf_f*sumGamma/prm%xi_inf_f) &
* exp(-sumGamma*prm%h_0_f/prm%xi_inf_f) &
)
dot%crss_back(:,of) = stt%sense(:,of)*dot%accshear(:,of) * &
dot%crss_back(:,me) = stt%sense(:,me)*dot%accshear(:,me) * &
( prm%h_inf_b + &
(prm%h_0_b - prm%h_inf_b &
+ prm%h_0_b*prm%h_inf_b/(prm%xi_inf_b+stt%chi0(:,of))*(stt%accshear(:,of)-stt%gamma0(:,of))&
) *exp(-(stt%accshear(:,of)-stt%gamma0(:,of)) *prm%h_0_b/(prm%xi_inf_b+stt%chi0(:,of))) &
+ prm%h_0_b*prm%h_inf_b/(prm%xi_inf_b+stt%chi0(:,me))*(stt%accshear(:,me)-stt%gamma0(:,me))&
) *exp(-(stt%accshear(:,me)-stt%gamma0(:,me)) *prm%h_0_b/(prm%xi_inf_b+stt%chi0(:,me))) &
)
end associate
@ -324,13 +324,13 @@ end subroutine plastic_kinehardening_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate (instantaneous) incremental change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
module subroutine plastic_kinehardening_deltaState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos,gdot_neg, &
@ -338,29 +338,29 @@ module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
associate(prm => param(instance), stt => state(instance), dlt => deltaState(instance))
call kinetics(Mp,instance,of,gdot_pos,gdot_neg)
sense = merge(state(instance)%sense(:,of), & ! keep existing...
call kinetics(Mp,instance,me,gdot_pos,gdot_neg)
sense = merge(state(instance)%sense(:,me), & ! keep existing...
sign(1.0_pReal,gdot_pos+gdot_neg), & ! ...or have a defined
dEq0(gdot_pos+gdot_neg,1e-10_pReal)) ! current sense of shear direction
#ifdef DEBUG
if (debugConstitutive%extensive &
.and. (of == prm%of_debug .or. .not. debugConstitutive%selective)) then
.and. (me == prm%of_debug .or. .not. debugConstitutive%selective)) then
print*, '======= kinehardening delta state ======='
print*, sense,state(instance)%sense(:,of)
print*, sense,state(instance)%sense(:,me)
endif
#endif
!--------------------------------------------------------------------------------------------------
! switch in sense of shear?
where(dNeq(sense,stt%sense(:,of),0.1_pReal))
dlt%sense (:,of) = sense - stt%sense(:,of) ! switch sense
dlt%chi0 (:,of) = abs(stt%crss_back(:,of)) - stt%chi0(:,of) ! remember current backstress magnitude
dlt%gamma0(:,of) = stt%accshear(:,of) - stt%gamma0(:,of) ! remember current accumulated shear
! switch in sense me shear?
where(dNeq(sense,stt%sense(:,me),0.1_pReal))
dlt%sense (:,me) = sense - stt%sense(:,me) ! switch sense
dlt%chi0 (:,me) = abs(stt%crss_back(:,me)) - stt%chi0(:,me) ! remember current backstress magnitude
dlt%gamma0(:,me) = stt%accshear(:,me) - stt%gamma0(:,me) ! remember current accumulated shear
else where
dlt%sense (:,of) = 0.0_pReal
dlt%chi0 (:,of) = 0.0_pReal
dlt%gamma0(:,of) = 0.0_pReal
dlt%sense (:,me) = 0.0_pReal
dlt%chi0 (:,me) = 0.0_pReal
dlt%gamma0(:,me) = 0.0_pReal
end where
end associate
@ -413,14 +413,14 @@ end subroutine plastic_kinehardening_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,instance,of, &
pure subroutine kinetics(Mp,instance,me, &
gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
gdot_pos, &
@ -437,21 +437,21 @@ pure subroutine kinetics(Mp,instance,of, &
associate(prm => param(instance), stt => state(instance))
do i = 1, prm%sum_N_sl
tau_pos(i) = math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - stt%crss_back(i,of)
tau_neg(i) = merge(math_tensordot(Mp,prm%nonSchmid_neg(1:3,1:3,i)) - stt%crss_back(i,of), &
tau_pos(i) = math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - stt%crss_back(i,me)
tau_neg(i) = merge(math_tensordot(Mp,prm%nonSchmid_neg(1:3,1:3,i)) - stt%crss_back(i,me), &
0.0_pReal, prm%nonSchmidActive)
enddo
where(dNeq0(tau_pos))
gdot_pos = prm%dot_gamma_0 * merge(0.5_pReal,1.0_pReal, prm%nonSchmidActive) & ! 1/2 if non-Schmid active
* sign(abs(tau_pos/stt%crss(:,of))**prm%n, tau_pos)
* sign(abs(tau_pos/stt%crss(:,me))**prm%n, tau_pos)
else where
gdot_pos = 0.0_pReal
end where
where(dNeq0(tau_neg))
gdot_neg = prm%dot_gamma_0 * 0.5_pReal & ! only used if non-Schmid active, always 1/2
* sign(abs(tau_neg/stt%crss(:,of))**prm%n, tau_neg)
* sign(abs(tau_neg/stt%crss(:,me))**prm%n, tau_neg)
else where
gdot_neg = 0.0_pReal
end where

116
src/phase_mechanics_plastic_nonlocal.f90
View File

@ -552,17 +552,16 @@ end function plastic_nonlocal_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure
!--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
module subroutine plastic_nonlocal_dependentState(instance, me, ip, el)
integer, intent(in) :: &
instance, &
of, &
me, &
ip, &
el
integer :: &
ph, &
me, &
no, & !< neighbor offset
neighbor_el, & ! element number of neighboring material point
neighbor_ip, & ! integration point of neighboring material point
@ -612,9 +611,9 @@ module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
associate(prm => param(instance),dst => microstructure(instance), stt => state(instance))
rho = getRho(instance,of,ip,el)
rho = getRho(instance,me,ip,el)
stt%rho_forest(:,of) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
stt%rho_forest(:,me) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
+ matmul(prm%forestProjection_Screw,sum(abs(rho(:,scr)),2))
@ -624,13 +623,13 @@ module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
myInteractionMatrix = prm%h_sl_sl &
* spread(( 1.0_pReal - prm%f_F &
+ prm%f_F &
* log(0.35_pReal * prm%b_sl * sqrt(max(stt%rho_forest(:,of),prm%rho_significant))) &
* log(0.35_pReal * prm%b_sl * sqrt(max(stt%rho_forest(:,me),prm%rho_significant))) &
/ log(0.35_pReal * prm%b_sl * 1e6_pReal))** 2.0_pReal,2,prm%sum_N_sl)
else
myInteractionMatrix = prm%h_sl_sl
endif
dst%tau_pass(:,of) = prm%mu * prm%b_sl &
dst%tau_pass(:,me) = prm%mu * prm%b_sl &
* sqrt(matmul(myInteractionMatrix,sum(abs(rho),2)))
!*** calculate the dislocation stress of the neighboring excess dislocation densities
@ -640,10 +639,9 @@ module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
! ToDo: MD: this is most likely only correct for F_i = I
!#################################################################################################
rho0 = getRho0(instance,of,ip,el)
rho0 = getRho0(instance,me,ip,el)
if (.not. phase_localPlasticity(material_phaseAt(1,el)) .and. prm%shortRangeStressCorrection) then
ph = material_phaseAt(1,el)
me = material_phaseMemberAt(1,ip,el)
invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
invFe = math_inv33(constitutive_mech_Fe(ph)%data(1:3,1:3,me))
@ -734,7 +732,7 @@ module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
where(rhoTotal > 0.0_pReal) rhoExcessGradient_over_rho = rhoExcessGradient / rhoTotal
! ... gives the local stress correction when multiplied with a factor
dst%tau_back(s,of) = - prm%mu * prm%b_sl(s) / (2.0_pReal * PI) &
dst%tau_back(s,me) = - prm%mu * prm%b_sl(s) / (2.0_pReal * PI) &
* ( rhoExcessGradient_over_rho(1) / (1.0_pReal - prm%nu) &
+ rhoExcessGradient_over_rho(2))
enddo
@ -745,9 +743,9 @@ module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
.and. ((debugConstitutive%element == el .and. debugConstitutive%ip == ip)&
.or. .not. debugConstitutive%selective)) then
print'(/,a,i8,1x,i2,1x,i1,/)', '<< CONST >> nonlocal_microstructure at el ip ',el,ip
print'(a,/,12x,12(e10.3,1x))', '<< CONST >> rhoForest', stt%rho_forest(:,of)
print'(a,/,12x,12(f10.5,1x))', '<< CONST >> tauThreshold / MPa', dst%tau_pass(:,of)*1e-6
print'(a,/,12x,12(f10.5,1x),/)', '<< CONST >> tauBack / MPa', dst%tau_back(:,of)*1e-6
print'(a,/,12x,12(e10.3,1x))', '<< CONST >> rhoForest', stt%rho_forest(:,me)
print'(a,/,12x,12(f10.5,1x))', '<< CONST >> tauThreshold / MPa', dst%tau_pass(:,me)*1e-6
print'(a,/,12x,12(f10.5,1x),/)', '<< CONST >> tauBack / MPa', dst%tau_back(:,me)*1e-6
endif
#endif
@ -760,14 +758,14 @@ end subroutine plastic_nonlocal_dependentState
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,instance,of,ip,el)
Mp,Temperature,instance,me,ip,el)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp
integer, intent(in) :: &
instance, &
of, &
me, &
ip, & !< current integration point
el !< current element number
real(pReal), intent(in) :: &
@ -801,7 +799,7 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
ns = prm%sum_N_sl
!*** shortcut to state variables
rho = getRho(instance,of,ip,el)
rho = getRho(instance,me,ip,el)
rhoSgl = rho(:,sgl)
do s = 1,ns
@ -816,12 +814,12 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
tauNS(s,4) = math_tensordot(Mp, -prm%nonSchmid_pos(1:3,1:3,s))
endif
enddo
tauNS = tauNS + spread(dst%tau_back(:,of),2,4)
tau = tau + dst%tau_back(:,of)
tauNS = tauNS + spread(dst%tau_back(:,me),2,4)
tau = tau + dst%tau_back(:,me)
! edges
call kinetics(v(:,1), dv_dtau(:,1), dv_dtauNS(:,1), &
tau, tauNS(:,1), dst%tau_pass(:,of),1,Temperature, instance)
tau, tauNS(:,1), dst%tau_pass(:,me),1,Temperature, instance)
v(:,2) = v(:,1)
dv_dtau(:,2) = dv_dtau(:,1)
dv_dtauNS(:,2) = dv_dtauNS(:,1)
@ -834,11 +832,11 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
else
do t = 3,4
call kinetics(v(:,t), dv_dtau(:,t), dv_dtauNS(:,t), &
tau, tauNS(:,t), dst%tau_pass(:,of),2,Temperature, instance)
tau, tauNS(:,t), dst%tau_pass(:,me),2,Temperature, instance)
enddo
endif
stt%v(:,of) = pack(v,.true.)
stt%v(:,me) = pack(v,.true.)
!*** Bauschinger effect
forall (s = 1:ns, t = 5:8, rhoSgl(s,t) * v(s,t-4) < 0.0_pReal) &
@ -867,13 +865,13 @@ end subroutine nonlocal_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief (instantaneous) incremental change of microstructure
!--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress
integer, intent(in) :: &
instance, & ! current instance of this plasticity
of, & !< offset
me, & !< offset
ip, &
el
@ -904,10 +902,10 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
ns = prm%sum_N_sl
!*** shortcut to state variables
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),of)
forall (s = 1:ns, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,instance),of)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me)
forall (s = 1:ns, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,instance),me)
rho = getRho(instance,of,ip,el)
rho = getRho(instance,me,ip,el)
rhoDip = rho(:,dip)
!****************************************************************************
@ -928,7 +926,7 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
!*** calculate limits for stable dipole height
do s = 1,prm%sum_N_sl
tau(s) = math_tensordot(Mp, prm%Schmid(1:3,1:3,s)) +dst%tau_back(s,of)
tau(s) = math_tensordot(Mp, prm%Schmid(1:3,1:3,s)) +dst%tau_back(s,me)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
enddo
@ -952,10 +950,10 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
/ (dUpperOld(s,c) - prm%minDipoleHeight(s,c))
forall (t=1:4) deltaRhoDipole2SingleStress(:,t) = -0.5_pReal * deltaRhoDipole2SingleStress(:,(t-1)/2+9)
forall (s = 1:ns, c = 1:2) plasticState(ph)%state(iD(s,c,instance),of) = dUpper(s,c)
forall (s = 1:ns, c = 1:2) plasticState(ph)%state(iD(s,c,instance),me) = dUpper(s,c)
plasticState(ph)%deltaState(:,of) = 0.0_pReal
del%rho(:,of) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*ns])
plasticState(ph)%deltaState(:,me) = 0.0_pReal
del%rho(:,me) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*ns])
#ifdef DEBUG
if (debugConstitutive%extensive &
@ -975,7 +973,7 @@ end subroutine plastic_nonlocal_deltaState
!> @brief calculates the rate of change of microstructure
!---------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
instance,of,ip,el)
instance,me,ip,el)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress
@ -984,7 +982,7 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
timestep !< substepped crystallite time increment
integer, intent(in) :: &
instance, &
of, &
me, &
ip, & !< current integration point
el !< current element number
@ -1034,13 +1032,13 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
tau = 0.0_pReal
gdot = 0.0_pReal
rho = getRho(instance,of,ip,el)
rho = getRho(instance,me,ip,el)
rhoSgl = rho(:,sgl)
rhoDip = rho(:,dip)
rho0 = getRho0(instance,of,ip,el)
rho0 = getRho0(instance,me,ip,el)
my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),of)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me)
gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
#ifdef DEBUG
@ -1055,7 +1053,7 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
!****************************************************************************
!*** limits for stable dipole height
do s = 1,ns
tau(s) = math_tensordot(Mp, prm%Schmid(1:3,1:3,s)) + dst%tau_back(s,of)
tau(s) = math_tensordot(Mp, prm%Schmid(1:3,1:3,s)) + dst%tau_back(s,me)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
enddo
@ -1076,20 +1074,20 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
isBCC: if (lattice_structure(ph) == LATTICE_bcc_ID) then
forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal)
rhoDotMultiplication(s,1:2) = sum(abs(gdot(s,3:4))) / prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(stt%rho_forest(s,of)) / prm%i_sl(s) ! & ! mean free path
* sqrt(stt%rho_forest(s,me)) / prm%i_sl(s) ! & ! mean free path
! * 2.0_pReal * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation
rhoDotMultiplication(s,3:4) = sum(abs(gdot(s,3:4))) /prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(stt%rho_forest(s,of)) / prm%i_sl(s) ! & ! mean free path
* sqrt(stt%rho_forest(s,me)) / prm%i_sl(s) ! & ! mean free path
! * 2.0_pReal * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation
endforall
else isBCC
rhoDotMultiplication(:,1:4) = spread( &
(sum(abs(gdot(:,1:2)),2) * prm%f_ed_mult + sum(abs(gdot(:,3:4)),2)) &
* sqrt(stt%rho_forest(:,of)) / prm%i_sl / prm%b_sl, 2, 4)
* sqrt(stt%rho_forest(:,me)) / prm%i_sl / prm%b_sl, 2, 4)
endif isBCC
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),of)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),me)
!****************************************************************************
@ -1132,10 +1130,10 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
if (lattice_structure(ph) == LATTICE_fcc_ID) &
forall (s = 1:ns, prm%colinearSystem(s) > 0) &
rhoDotAthermalAnnihilation(prm%colinearSystem(s),1:2) = - rhoDotAthermalAnnihilation(s,10) &
* 0.25_pReal * sqrt(stt%rho_forest(s,of)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed
* 0.25_pReal * sqrt(stt%rho_forest(s,me)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed
!*** thermally activated annihilation of edge dipoles by climb
!*** thermally activated annihilation me edge dipoles by climb
rhoDotThermalAnnihilation = 0.0_pReal
selfDiffusion = prm%D_0 * exp(-prm%Q_cl / (kB * Temperature))
vClimb = prm%V_at * selfDiffusion * prm%mu &
@ -1145,7 +1143,7 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
rhoDot = rhoDotFlux(timestep, instance,of,ip,el) &
rhoDot = rhoDotFlux(timestep, instance,me,ip,el) &
+ rhoDotMultiplication &
+ rhoDotSingle2DipoleGlide &
+ rhoDotAthermalAnnihilation &
@ -1162,8 +1160,8 @@ module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
#endif
plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
else
dot%rho(:,of) = pack(rhoDot,.true.)
dot%gamma(:,of) = sum(gdot,2)
dot%rho(:,me) = pack(rhoDot,.true.)
dot%gamma(:,me) = sum(gdot,2)
endif
end associate
@ -1174,13 +1172,13 @@ end subroutine plastic_nonlocal_dotState
!---------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!---------------------------------------------------------------------------------------------------
function rhoDotFlux(timestep,instance,of,ip,el)
function rhoDotFlux(timestep,instance,me,ip,el)
real(pReal), intent(in) :: &
timestep !< substepped crystallite time increment
integer, intent(in) :: &
instance, &
of, &
me, &
ip, & !< current integration point
el !< current element number
@ -1243,16 +1241,16 @@ function rhoDotFlux(timestep,instance,of,ip,el)
gdot = 0.0_pReal
rho = getRho(instance,of,ip,el)
rho = getRho(instance,me,ip,el)
rhoSgl = rho(:,sgl)
rho0 = getRho0(instance,of,ip,el)
rho0 = getRho0(instance,me,ip,el)
my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),of) !ToDo: MD: I think we should use state0 here
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me) !ToDo: MD: I think we should use state0 here
gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),of)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),me)
!****************************************************************************
!*** calculate dislocation fluxes (only for nonlocal plasticity)
@ -1287,8 +1285,8 @@ function rhoDotFlux(timestep,instance,of,ip,el)
m(1:3,:,3) = -prm%slip_transverse
m(1:3,:,4) = prm%slip_transverse
my_F = constitutive_mech_F(ph)%data(1:3,1:3,of)
my_Fe = matmul(my_F, math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,of)))
my_F = constitutive_mech_F(ph)%data(1:3,1:3,me)
my_Fe = matmul(my_F, math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me)))
neighbors: do n = 1,nIPneighbors
@ -1789,14 +1787,14 @@ end subroutine kinetics
!> @brief returns copy of current dislocation densities from state
!> @details raw values is rectified
!--------------------------------------------------------------------------------------------------
pure function getRho(instance,of,ip,el)
pure function getRho(instance,me,ip,el)
integer, intent(in) :: instance, of,ip,el
integer, intent(in) :: instance, me,ip,el
real(pReal), dimension(param(instance)%sum_N_sl,10) :: getRho
associate(prm => param(instance))
getRho = reshape(state(instance)%rho(:,of),[prm%sum_N_sl,10])
getRho = reshape(state(instance)%rho(:,me),[prm%sum_N_sl,10])
! ensure positive densities (not for imm, they have a sign)
getRho(:,mob) = max(getRho(:,mob),0.0_pReal)
@ -1814,14 +1812,14 @@ end function getRho
!> @brief returns copy of current dislocation densities from state
!> @details raw values is rectified
!--------------------------------------------------------------------------------------------------
pure function getRho0(instance,of,ip,el)
pure function getRho0(instance,me,ip,el)
integer, intent(in) :: instance, of,ip,el
integer, intent(in) :: instance, me,ip,el
real(pReal), dimension(param(instance)%sum_N_sl,10) :: getRho0
associate(prm => param(instance))
getRho0 = reshape(state0(instance)%rho(:,of),[prm%sum_N_sl,10])
getRho0 = reshape(state0(instance)%rho(:,me),[prm%sum_N_sl,10])
! ensure positive densities (not for imm, they have a sign)
getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)

52
src/phase_mechanics_plastic_phenopowerlaw.f90
View File

@ -285,7 +285,7 @@ end function plastic_phenopowerlaw_init
!> @details asummes that deformation by dislocation glide affects twinned and untwinned volume
! equally (Taylor assumption). Twinning happens only in untwinned volume
!--------------------------------------------------------------------------------------------------
pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
@ -296,7 +296,7 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
integer :: &
i,k,l,m,n
@ -311,7 +311,7 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
associate(prm => param(instance))
call kinetics_slip(Mp,instance,of,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
call kinetics_slip(Mp,instance,me,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
slipSystems: do i = 1, prm%sum_N_sl
Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -320,7 +320,7 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
+ dgdot_dtauslip_neg(i) * prm%P_sl(k,l,i) * prm%nonSchmid_neg(m,n,i)
enddo slipSystems
call kinetics_twin(Mp,instance,of,gdot_twin,dgdot_dtautwin)
call kinetics_twin(Mp,instance,me,gdot_twin,dgdot_dtautwin)
twinSystems: do i = 1, prm%sum_N_tw
Lp = Lp + gdot_twin(i)*prm%P_tw(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -336,13 +336,13 @@ end subroutine phenopowerlaw_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
module subroutine plastic_phenopowerlaw_dotState(Mp,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal) :: &
c_SlipSlip,c_TwinSlip,c_TwinTwin, &
@ -354,8 +354,8 @@ module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
associate(prm => param(instance), stt => state(instance), dot => dotState(instance))
sumGamma = sum(stt%gamma_slip(:,of))
sumF = sum(stt%gamma_twin(:,of)/prm%gamma_tw_char)
sumGamma = sum(stt%gamma_slip(:,me))
sumF = sum(stt%gamma_twin(:,me)/prm%gamma_tw_char)
!--------------------------------------------------------------------------------------------------
! system-independent (nonlinear) prefactors to M_Xx (X influenced by x) matrices
@ -367,23 +367,23 @@ module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
! calculate left and right vectors
left_SlipSlip = 1.0_pReal + prm%h_int
xi_slip_sat_offset = prm%f_sl_sat_tw*sqrt(sumF)
right_SlipSlip = abs(1.0_pReal-stt%xi_slip(:,of) / (prm%xi_inf_sl+xi_slip_sat_offset)) **prm%a_sl &
* sign(1.0_pReal,1.0_pReal-stt%xi_slip(:,of) / (prm%xi_inf_sl+xi_slip_sat_offset))
right_SlipSlip = abs(1.0_pReal-stt%xi_slip(:,me) / (prm%xi_inf_sl+xi_slip_sat_offset)) **prm%a_sl &
* sign(1.0_pReal,1.0_pReal-stt%xi_slip(:,me) / (prm%xi_inf_sl+xi_slip_sat_offset))
!--------------------------------------------------------------------------------------------------
! shear rates
call kinetics_slip(Mp,instance,of,gdot_slip_pos,gdot_slip_neg)
dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg)
call kinetics_twin(Mp,instance,of,dot%gamma_twin(:,of))
call kinetics_slip(Mp,instance,me,gdot_slip_pos,gdot_slip_neg)
dot%gamma_slip(:,me) = abs(gdot_slip_pos+gdot_slip_neg)
call kinetics_twin(Mp,instance,me,dot%gamma_twin(:,me))
!--------------------------------------------------------------------------------------------------
! hardening
dot%xi_slip(:,of) = c_SlipSlip * left_SlipSlip * &
matmul(prm%h_sl_sl,dot%gamma_slip(:,of)*right_SlipSlip) &
+ matmul(prm%h_sl_tw,dot%gamma_twin(:,of))
dot%xi_slip(:,me) = c_SlipSlip * left_SlipSlip * &
matmul(prm%h_sl_sl,dot%gamma_slip(:,me)*right_SlipSlip) &
+ matmul(prm%h_sl_tw,dot%gamma_twin(:,me))
dot%xi_twin(:,of) = c_TwinSlip * matmul(prm%h_tw_sl,dot%gamma_slip(:,of)) &
+ c_TwinTwin * matmul(prm%h_tw_tw,dot%gamma_twin(:,of))
dot%xi_twin(:,me) = c_TwinSlip * matmul(prm%h_tw_sl,dot%gamma_slip(:,me)) &
+ c_TwinTwin * matmul(prm%h_tw_tw,dot%gamma_twin(:,me))
end associate
end subroutine plastic_phenopowerlaw_dotState
@ -431,14 +431,14 @@ end subroutine plastic_phenopowerlaw_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,instance,of, &
pure subroutine kinetics_slip(Mp,instance,me, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtau_slip_pos,dgdot_dtau_slip_neg)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
gdot_slip_pos, &
@ -462,14 +462,14 @@ pure subroutine kinetics_slip(Mp,instance,of, &
where(dNeq0(tau_slip_pos))
gdot_slip_pos = prm%dot_gamma_0_sl * merge(0.5_pReal,1.0_pReal, prm%nonSchmidActive) & ! 1/2 if non-Schmid active
* sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_sl, tau_slip_pos)
* sign(abs(tau_slip_pos/stt%xi_slip(:,me))**prm%n_sl, tau_slip_pos)
else where
gdot_slip_pos = 0.0_pReal
end where
where(dNeq0(tau_slip_neg))
gdot_slip_neg = prm%dot_gamma_0_sl * 0.5_pReal & ! only used if non-Schmid active, always 1/2
* sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_sl, tau_slip_neg)
* sign(abs(tau_slip_neg/stt%xi_slip(:,me))**prm%n_sl, tau_slip_neg)
else where
gdot_slip_neg = 0.0_pReal
end where
@ -500,14 +500,14 @@ end subroutine kinetics_slip
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(Mp,instance,of,&
pure subroutine kinetics_twin(Mp,instance,me,&
gdot_twin,dgdot_dtau_twin)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
of
me
real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
gdot_twin
@ -525,8 +525,8 @@ pure subroutine kinetics_twin(Mp,instance,of,&
enddo
where(tau_twin > 0.0_pReal)
gdot_twin = (1.0_pReal-sum(stt%gamma_twin(:,of)/prm%gamma_tw_char)) & ! only twin in untwinned volume fraction
* prm%dot_gamma_0_tw*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_tw
gdot_twin = (1.0_pReal-sum(stt%gamma_twin(:,me)/prm%gamma_tw_char)) & ! only twin in untwinned volume fraction
* prm%dot_gamma_0_tw*(abs(tau_twin)/stt%xi_twin(:,me))**prm%n_tw
else where
gdot_twin = 0.0_pReal
end where