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sl is the subscript for slip

This commit is contained in:
Martin Diehl 2021-07-23 21:36:26 +02:00
parent 6c53615d11
commit 6936ecb091
3 changed files with 25 additions and 27 deletions
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2
examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml
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@ -6,7 +6,7 @@ b_sl: [2.56e-10]
rho_mob_0: [1.0e+12] rho_mob_0: [1.0e+12]
rho_dip_0: [1.0] rho_dip_0: [1.0]
v_0: [1.0e+4] v_0: [1.0e+4]
Q_s: [3.7e-19] Q_sl: [3.7e-19]
p_sl: [1.0] p_sl: [1.0]
q_sl: [1.0] q_sl: [1.0]
tau_0: [1.5e+8] tau_0: [1.5e+8]

2
examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml
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@ -11,7 +11,7 @@ b_sl: [2.49e-10, 2.49e-10]
rho_mob_0: [2.81e12, 2.8e+12] rho_mob_0: [2.81e12, 2.8e+12]
rho_dip_0: [1.0, 1.0] # not given rho_dip_0: [1.0, 1.0] # not given
v_0: [1.4e+3, 1.4e+3] v_0: [1.4e+3, 1.4e+3]
Q_s: [1.57e-19, 1.57e-19] # Delta_F Q_sl: [1.57e-19, 1.57e-19] # Delta_F
tau_0: [454.e+6, 454.e+6] tau_0: [454.e+6, 454.e+6]
p_sl: [0.325, 0.325] p_sl: [0.325, 0.325]
q_sl: [1.55, 1.55] q_sl: [1.55, 1.55]

48
src/phase_mechanical_plastic_dislotwin.f90
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@ -22,7 +22,6 @@ submodule(phase:plastic) dislotwin
D = 1.0_pReal, & !< grain size D = 1.0_pReal, & !< grain size
p_sb = 1.0_pReal, & !< p-exponent in shear band velocity p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
q_sb = 1.0_pReal, & !< q-exponent in shear band velocity q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
D_a = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance
i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
@ -42,7 +41,7 @@ submodule(phase:plastic) dislotwin
b_sl, & !< absolute length of Burgers vector [m] for each slip system b_sl, & !< absolute length of Burgers vector [m] for each slip system
b_tw, & !< absolute length of Burgers vector [m] for each twin system b_tw, & !< absolute length of Burgers vector [m] for each twin system
b_tr, & !< absolute length of Burgers vector [m] for each transformation system b_tr, & !< absolute length of Burgers vector [m] for each transformation system
Q_s,& !< activation energy for glide [J] for each slip system Q_sl,& !< activation energy for glide [J] for each slip system
v_0, & !< dislocation velocity prefactor [m/s] for each slip system v_0, & !< dislocation velocity prefactor [m/s] for each slip system
dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system
dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system
@ -55,7 +54,8 @@ submodule(phase:plastic) dislotwin
s, & !< s-exponent in trans nucleation rate s, & !< s-exponent in trans nucleation rate
tau_0, & !< strength due to elements in solid solution tau_0, & !< strength due to elements in solid solution
gamma_char, & !< characteristic shear for twins gamma_char, & !< characteristic shear for twins
B !< drag coefficient B, & !< drag coefficient
d_caron !< distance of spontaneous annhihilation
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
h_sl_sl, & !< components of slip-slip interaction matrix h_sl_sl, & !< components of slip-slip interaction matrix
h_sl_tw, & !< components of slip-twin interaction matrix h_sl_tw, & !< components of slip-twin interaction matrix
@ -206,7 +206,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl)) rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl)) prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl)) prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl))
prm%Q_s = pl%get_as1dFloat('Q_s', requiredSize=size(N_sl)) prm%Q_sl = pl%get_as1dFloat('Q_sl', requiredSize=size(N_sl))
prm%i_sl = pl%get_as1dFloat('i_sl', requiredSize=size(N_sl)) prm%i_sl = pl%get_as1dFloat('i_sl', requiredSize=size(N_sl))
prm%p = pl%get_as1dFloat('p_sl', requiredSize=size(N_sl)) prm%p = pl%get_as1dFloat('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_as1dFloat('q_sl', requiredSize=size(N_sl)) prm%q = pl%get_as1dFloat('q_sl', requiredSize=size(N_sl))
@ -214,9 +214,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%B = pl%get_as1dFloat('B', requiredSize=size(N_sl), & prm%B = pl%get_as1dFloat('B', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal, i=1,size(N_sl))]) defaultVal=[(0.0_pReal, i=1,size(N_sl))])
prm%D_a = pl%get_asFloat('D_a') prm%D_0 = pl%get_asFloat('D_0')
prm%D_0 = pl%get_asFloat('D_0') prm%Q_cl = pl%get_asFloat('Q_cl')
prm%Q_cl = pl%get_asFloat('Q_cl')
prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.) prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.) prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.)
@ -231,12 +230,13 @@ module function plastic_dislotwin_init() result(myPlasticity)
rho_dip_0 = math_expand(rho_dip_0, N_sl) rho_dip_0 = math_expand(rho_dip_0, N_sl)
prm%v_0 = math_expand(prm%v_0, N_sl) prm%v_0 = math_expand(prm%v_0, N_sl)
prm%b_sl = math_expand(prm%b_sl, N_sl) prm%b_sl = math_expand(prm%b_sl, N_sl)
prm%Q_s = math_expand(prm%Q_s, N_sl) prm%Q_sl = math_expand(prm%Q_sl, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl) prm%i_sl = math_expand(prm%i_sl, N_sl)
prm%p = math_expand(prm%p, N_sl) prm%p = math_expand(prm%p, N_sl)
prm%q = math_expand(prm%q, N_sl) prm%q = math_expand(prm%q, N_sl)
prm%tau_0 = math_expand(prm%tau_0, N_sl) prm%tau_0 = math_expand(prm%tau_0, N_sl)
prm%B = math_expand(prm%B, N_sl) prm%B = math_expand(prm%B, N_sl)
prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl
! sanity checks ! sanity checks
if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0' if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
@ -245,14 +245,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0' if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0' if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl' if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s' if (any(prm%Q_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_sl'
if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl' if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B' if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
if (any(prm%d_caron < 0.0_pReal)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p_sl' if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p_sl'
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q_sl' if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q_sl'
else slipActive else slipActive
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
allocate(prm%b_sl,prm%Q_s,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray) allocate(prm%b_sl,prm%Q_sl,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray)
allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0)) allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
endif slipActive endif slipActive
@ -631,7 +632,7 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
integer :: i integer :: i
real(pReal) :: & real(pReal) :: &
f_unrotated, & f_unrotated, &
rho_dip_distance, & d_hat, &
v_cl, & !< climb velocity v_cl, & !< climb velocity
tau, & tau, &
sigma_cl, & !< climb stress sigma_cl, & !< climb stress
@ -639,15 +640,14 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
real(pReal), dimension(param(ph)%sum_N_sl) :: & real(pReal), dimension(param(ph)%sum_N_sl) :: &
dot_rho_dip_formation, & dot_rho_dip_formation, &
dot_rho_dip_climb, & dot_rho_dip_climb, &
rho_dip_distance_min, &
dot_gamma_sl dot_gamma_sl
real(pReal), dimension(param(ph)%sum_N_tw) :: & real(pReal), dimension(param(ph)%sum_N_tw) :: &
dot_gamma_tw dot_gamma_tw
real(pReal), dimension(param(ph)%sum_N_tr) :: & real(pReal), dimension(param(ph)%sum_N_tr) :: &
dot_gamma_tr dot_gamma_tr
associate(prm => param(ph), stt => state(ph), &
dot => dotState(ph), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
f_unrotated = 1.0_pReal & f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,en)) & - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
@ -656,8 +656,6 @@ module subroutine dislotwin_dotState(Mp,T,ph,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) dot%gamma_sl(:,en) = abs(dot_gamma_sl)
rho_dip_distance_min = prm%D_a*prm%b_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))
@ -665,14 +663,14 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
dot_rho_dip_formation(i) = 0.0_pReal dot_rho_dip_formation(i) = 0.0_pReal
dot_rho_dip_climb(i) = 0.0_pReal dot_rho_dip_climb(i) = 0.0_pReal
else significantSlipStress else significantSlipStress
rho_dip_distance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau)) d_hat = 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,en)) d_hat = math_clip(d_hat, right = dst%Lambda_sl(i,en))
rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i)) d_hat = math_clip(d_hat, left = prm%d_caron(i))
dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(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(rho_dip_distance,rho_dip_distance_min(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
else else
! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 ! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
@ -685,17 +683,17 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal) * (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,en) & dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) &
/ (rho_dip_distance-rho_dip_distance_min(i)) / (d_hat-prm%d_caron(i))
endif endif
endif significantSlipStress endif significantSlipStress
enddo slipState enddo slipState
dot%rho_mob(:,en) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,en)) & dot%rho_mob(:,en) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,en)) &
- dot_rho_dip_formation & - dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/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(:,en) = dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/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
call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw) call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw)
@ -885,7 +883,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
significantStress: where(tau_eff > tol_math_check) significantStress: where(tau_eff > tol_math_check)
stressRatio = tau_eff/prm%tau_0 stressRatio = tau_eff/prm%tau_0
StressRatio_p = stressRatio** prm%p StressRatio_p = stressRatio** prm%p
BoltzmannRatio = prm%Q_s/(kB*T) BoltzmannRatio = prm%Q_sl/(kB*T)
v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) 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) v_run_inverse = prm%B/(tau_eff*prm%b_sl)