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no need to store dotstate

This commit is contained in:
Martin Diehl 2022-02-11 14:23:41 +01:00
parent 7c18f3f276
commit 9d1cc93a81
2 changed files with 63 additions and 54 deletions
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11
src/phase_mechanical_plastic.f90
View File

@ -140,15 +140,15 @@ submodule(phase:mechanical) plastic
dotState dotState
end function plastic_kinehardening_dotState end function plastic_kinehardening_dotState
module subroutine dislotwin_dotState(Mp,T,ph,en) module function dislotwin_dotState(Mp,ph,en) result(dotState)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: &
T
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en en
end subroutine dislotwin_dotState real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
dotState
end function dislotwin_dotState
module function dislotungsten_dotState(Mp,ph,en) result(dotState) module function dislotungsten_dotState(Mp,ph,en) result(dotState)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
@ -331,8 +331,7 @@ module function plastic_dotState(subdt,co,ip,el,ph,en) result(dotState)
dotState = plastic_kinehardening_dotState(Mp,ph,en) dotState = plastic_kinehardening_dotState(Mp,ph,en)
case (PLASTIC_DISLOTWIN_ID) plasticType case (PLASTIC_DISLOTWIN_ID) plasticType
call dislotwin_dotState(Mp,thermal_T(ph,en),ph,en) dotState = dislotwin_dotState(Mp,ph,en)
dotState = plasticState(ph)%dotState(:,en)
case (PLASTIC_DISLOTUNGSTEN_ID) plasticType case (PLASTIC_DISLOTUNGSTEN_ID) plasticType
dotState = dislotungsten_dotState(Mp,ph,en) dotState = dislotungsten_dotState(Mp,ph,en)

106
src/phase_mechanical_plastic_dislotwin.f90
View File

@ -84,7 +84,16 @@ submodule(phase:plastic) dislotwin
character(len=:), allocatable, dimension(:) :: & character(len=:), allocatable, dimension(:) :: &
systems_sl, & systems_sl, &
systems_tw systems_tw
end type !< container type for internal constitutive parameters end type tParameters !< container type for internal constitutive parameters
type :: tIndexDotState
integer, dimension(2) :: &
rho_mob, &
rho_dip, &
gamma_sl, &
f_tw, &
f_tr
end type tIndexDotState
type :: tDislotwinState type :: tDislotwinState
real(pReal), dimension(:,:), pointer :: & real(pReal), dimension(:,:), pointer :: &
@ -106,9 +115,8 @@ submodule(phase:plastic) dislotwin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
type(tParameters), allocatable, dimension(:) :: param type(tParameters), allocatable, dimension(:) :: param
type(tDislotwinState), allocatable, dimension(:) :: & type(tIndexDotState), allocatable, dimension(:) :: indexDotState
dotState, & type(tDislotwinState), allocatable, dimension(:) :: state
state
type(tDislotwinDependentState), allocatable, dimension(:) :: dependentState type(tDislotwinDependentState), allocatable, dimension(:) :: dependentState
contains contains
@ -159,15 +167,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
phases => config_material%get('phase') phases => config_material%get('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(indexDotState(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
allocate(dotState(phases%length))
allocate(dependentState(phases%length)) allocate(dependentState(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
if (.not. myPlasticity(ph)) cycle if (.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
idx_dot => indexDotState(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanical') mech => phase%get('mechanical')
@ -179,7 +187,6 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray) prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
#endif #endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray) N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
@ -373,51 +380,51 @@ module function plastic_dislotwin_init() result(myPlasticity)
+ size(['f_tr']) * prm%sum_N_tr + size(['f_tr']) * prm%sum_N_tr
sizeState = sizeDotState sizeState = sizeDotState
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0) call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
deallocate(plasticState(ph)%dotState) ! ToDo: remove dotState completely
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! locally defined state aliases and initialization of state0 and atol ! state aliases and initialization
startIndex = 1 startIndex = 1
endIndex = prm%sum_N_sl endIndex = prm%sum_N_sl
idx_dot%rho_mob = [startIndex,endIndex]
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:) stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_mob= spread(rho_mob_0,2,Nmembers) stt%rho_mob= spread(rho_mob_0,2,Nmembers)
dot%rho_mob=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
idx_dot%rho_dip = [startIndex,endIndex]
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:) stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_dip= spread(rho_dip_0,2,Nmembers) stt%rho_dip= spread(rho_dip_0,2,Nmembers)
dot%rho_dip=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
idx_dot%gamma_sl = [startIndex,endIndex]
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:) stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw endIndex = endIndex + prm%sum_N_tw
idx_dot%f_tw = [startIndex,endIndex]
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:) stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
dot%f_tw=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tw',defaultVal=1.0e-6_pReal) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tw',defaultVal=1.0e-6_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tw' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tw'
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr endIndex = endIndex + prm%sum_N_tr
idx_dot%f_tr = [startIndex,endIndex]
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:) stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
dot%f_tr=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr'
allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal) allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal)
allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal) allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers),source=0.0_pReal)
allocate(dst%Lambda_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal) allocate(dst%Lambda_tw(prm%sum_N_tw,Nmembers),source=0.0_pReal)
allocate(dst%Lambda_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal) allocate(dst%Lambda_tr(prm%sum_N_tr,Nmembers),source=0.0_pReal)
end associate end associate
@ -596,15 +603,15 @@ end subroutine dislotwin_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure. !> @brief Calculate the rate of change of microstructure.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine dislotwin_dotState(Mp,T,ph,en) module function dislotwin_dotState(Mp,ph,en) result(dotState)
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature at integration point
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en en
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
dotState
integer :: i integer :: i
real(pReal) :: & real(pReal) :: &
@ -623,21 +630,27 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
real(pReal), dimension(param(ph)%sum_N_tr) :: & real(pReal), dimension(param(ph)%sum_N_tr) :: &
dot_gamma_tr dot_gamma_tr
real(pReal) :: & real(pReal) :: &
mu, & mu, nu, &
nu T
associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
dot_rho_mob => dotState(indexDotState(ph)%rho_mob(1):indexDotState(ph)%rho_mob(2)), &
dot_rho_dip => dotState(indexDotState(ph)%rho_dip(1):indexDotState(ph)%rho_dip(2)), &
abs_dot_gamma_sl => dotState(indexDotState(ph)%gamma_sl(1):indexDotState(ph)%gamma_sl(2)), &
dot_f_tw => dotState(indexDotState(ph)%f_tw(1):indexDotState(ph)%f_tw(2)), &
dot_f_tr => dotState(indexDotState(ph)%f_tr(1):indexDotState(ph)%f_tr(2)))
mu = elastic_mu(ph,en) mu = elastic_mu(ph,en)
nu = elastic_nu(ph,en) nu = elastic_nu(ph,en)
T = thermal_T(ph,en)
f_matrix = 1.0_pReal & f_matrix = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,en)) & - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
- sum(stt%f_tr(1:prm%sum_N_tr,en)) - sum(stt%f_tr(1:prm%sum_N_tr,en))
call kinetics_sl(Mp,T,ph,en,dot_gamma_sl) call kinetics_sl(Mp,T,ph,en,dot_gamma_sl)
dot%gamma_sl(:,en) = abs(dot_gamma_sl) abs_dot_gamma_sl = abs(dot_gamma_sl)
slipState: do i = 1, prm%sum_N_sl slipState: do i = 1, prm%sum_N_sl
tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i)) tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
@ -651,7 +664,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
d_hat = math_clip(d_hat, left = prm%d_caron(i)) d_hat = math_clip(d_hat, left = prm%d_caron(i))
dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) & dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) &
* stt%rho_mob(i,en)*abs(dot_gamma_sl(i)) * stt%rho_mob(i,en)*abs_dot_gamma_sl(i)
if (dEq(d_hat,prm%d_caron(i))) then if (dEq(d_hat,prm%d_caron(i))) then
dot_rho_dip_climb(i) = 0.0_pReal dot_rho_dip_climb(i) = 0.0_pReal
@ -672,23 +685,23 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
end if significantSlipStress end if significantSlipStress
end do slipState end do slipState
dot%rho_mob(:,en) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,en)) & dot_rho_mob = abs_dot_gamma_sl/(prm%b_sl*dst%Lambda_sl(:,en)) &
- dot_rho_dip_formation & - dot_rho_dip_formation &
- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs(dot_gamma_sl) - 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs_dot_gamma_sl
dot%rho_dip(:,en) = dot_rho_dip_formation & dot_rho_dip = dot_rho_dip_formation &
- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs(dot_gamma_sl) & - 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs_dot_gamma_sl &
- dot_rho_dip_climb - dot_rho_dip_climb
if (prm%sum_N_tw > 0) call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw) if (prm%sum_N_tw > 0) call kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,dot_gamma_tw)
dot%f_tw(:,en) = f_matrix*dot_gamma_tw/prm%gamma_char_tw dot_f_tw = f_matrix*dot_gamma_tw/prm%gamma_char_tw
if (prm%sum_N_tr > 0) call kinetics_tr(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tr) if (prm%sum_N_tr > 0) call kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,dot_gamma_tr)
dot%f_tr(:,en) = f_matrix*dot_gamma_tr/prm%gamma_char_tr dot_f_tr = f_matrix*dot_gamma_tr/prm%gamma_char_tr
end associate end associate
end subroutine dislotwin_dotState end function dislotwin_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -816,15 +829,14 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
en en
real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: & real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
dot_gamma_sl dot_gamma_sl
real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: & real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
ddot_gamma_dtau_sl, & ddot_gamma_dtau_sl, &
tau_sl tau_sl
real(pReal), dimension(param(ph)%sum_N_sl) :: & real(pReal), dimension(param(ph)%sum_N_sl) :: &
ddot_gamma_dtau ddot_gamma_dtau
real(pReal), dimension(param(ph)%sum_N_sl) :: & real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau, & tau, &
stressRatio, & stressRatio, &
@ -883,7 +895,7 @@ end subroutine kinetics_sl
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end. ! have the optional arguments at the end.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,& pure subroutine kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,&
dot_gamma_tw,ddot_gamma_dtau_tw) dot_gamma_tw,ddot_gamma_dtau_tw)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
@ -894,8 +906,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
ph, & ph, &
en en
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: & real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
dot_gamma_sl abs_dot_gamma_sl
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: & real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
dot_gamma_tw dot_gamma_tw
real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: & real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
@ -933,7 +944,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P
s = prm%fcc_twinNucleationSlipPair(1:2,i) s = prm%fcc_twinNucleationSlipPair(1:2,i)
dot_N_0 = sum(abs(dot_gamma_sl(s(2:1:-1)))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tw*3.0_pReal) dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tw*3.0_pReal)
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau)) P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal) dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
@ -960,7 +971,7 @@ end subroutine kinetics_tw
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end. ! have the optional arguments at the end.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,& pure subroutine kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,&
dot_gamma_tr,ddot_gamma_dtau_tr) dot_gamma_tr,ddot_gamma_dtau_tr)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
@ -971,8 +982,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
ph, & ph, &
en en
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: & real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
dot_gamma_sl abs_dot_gamma_sl
real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: & real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
dot_gamma_tr dot_gamma_tr
real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: & real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
@ -1010,7 +1020,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
dP_dTau = prm%s(i) * (tau_hat/tau)**prm%s(i)/tau * P dP_dTau = prm%s(i) * (tau_hat/tau)**prm%s(i)/tau * P
s = prm%fcc_twinNucleationSlipPair(1:2,i) s = prm%fcc_twinNucleationSlipPair(1:2,i)
dot_N_0 = sum(abs(dot_gamma_sl(s(2:1:-1)))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tr*3.0_pReal) dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tr*3.0_pReal)
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau)) P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal) dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)