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continue with parameter name change 

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This commit is contained in:
Sharan Roongta 2020-09-22 15:02:24 +02:00
parent 87ae2447b9
commit 8f3bb82b27
2 changed files with 69 additions and 69 deletions
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112
src/constitutive_plastic_dislotwin.f90
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@ -16,38 +16,38 @@ submodule(constitutive:constitutive_plastic) plastic_dislotwin
real(pReal) :: &
mu = 1.0_pReal, & !< equivalent shear modulus
nu = 1.0_pReal, & !< equivalent shear Poisson's ratio
D0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Qsd = 1.0_pReal, & !< activation energy for dislocation climb
D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Q_cl = 1.0_pReal, & !< activation energy for dislocation climb
omega = 1.0_pReal, & !< frequency factor for dislocation climb
D = 1.0_pReal, & !< grain size
p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
CEdgeDipMinDistance = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance
D_a = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance
i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
xc_twin = 1.0_pReal, & !< critical distance for formation of twin nucleus
xc_trans = 1.0_pReal, & !< critical distance for formation of trans nucleus
x_c_tw = 1.0_pReal, & !< critical distance for formation of twin nucleus
x_c_tr = 1.0_pReal, & !< critical distance for formation of trans nucleus
V_cs = 1.0_pReal, & !< cross slip volume
sbResistance = 1.0_pReal, & !< value for shearband resistance
sbVelocity = 1.0_pReal, & !< value for shearband velocity_0
xi_sb = 1.0_pReal, & !< value for shearband resistance
v_sb = 1.0_pReal, & !< value for shearband velocity_0
E_sb = 1.0_pReal, & !< activation energy for shear bands
SFE_0K = 1.0_pReal, & !< stacking fault energy at zero K
dSFE_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
gamma_fcc_hex = 1.0_pReal, & !< Free energy difference between austensite and martensite
Gamma_sf_0K = 1.0_pReal, & !< stacking fault energy at zero K
dGamma_sf_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
delta_G = 1.0_pReal, & !< Free energy difference between austensite and martensite
i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
h = 1.0_pReal !< Stack height of hex nucleus
real(pReal), allocatable, dimension(:) :: &
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_tr, & !< absolute length of burgers vector [m] for each transformation system
Delta_F,& !< activation energy for glide [J] for each slip system
v0, & !< dislocation velocity prefactor [m/s] for each slip system
Q_s,& !< activation energy for glide [J] 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_tr, & !< trans nucleation rate [1/m³s] for each trans system
t_tw, & !< twin thickness [m] for each twin system
CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
i_sl, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
t_tr, & !< martensite lamellar thickness [m] for each trans system and instance
p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity
@ -209,23 +209,23 @@ module function plastic_dislotwin_init() result(myPlasticity)
rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_asFloats('rho_dip_0', requiredSize=size(N_sl))
prm%v0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
prm%v_0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
prm%Delta_F = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
prm%CLambdaSlip = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
prm%Q_s = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
prm%i_sl = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl))
prm%B = pl%get_asFloats('B', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal, i=1,size(N_sl))])
prm%tau_0 = pl%get_asFloat('tau_0')
prm%CEdgeDipMinDistance = pl%get_asFloat('D_a')
prm%D0 = pl%get_asFloat('D_0')
prm%Qsd = pl%get_asFloat('Q_cl')
prm%D_a = pl%get_asFloat('D_a')
prm%D_0 = pl%get_asFloat('D_0')
prm%Q_cl = pl%get_asFloat('Q_cl')
prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
if (prm%ExtendedDislocations) then
prm%SFE_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dSFE_dT = pl%get_asFloat('dGamma_sf_dT')
prm%Gamma_sf_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
endif
prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation',defaultVal = .false.)
@ -238,29 +238,29 @@ module function plastic_dislotwin_init() result(myPlasticity)
! expand: family => system
rho_mob_0 = math_expand(rho_mob_0, N_sl)
rho_dip_0 = math_expand(rho_dip_0, N_sl)
prm%v0 = math_expand(prm%v0, N_sl)
prm%v_0 = math_expand(prm%v_0, N_sl)
prm%b_sl = math_expand(prm%b_sl, N_sl)
prm%Delta_F = math_expand(prm%Delta_F, N_sl)
prm%CLambdaSlip = math_expand(prm%CLambdaSlip, N_sl)
prm%Q_s = math_expand(prm%Q_s, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl)
prm%p = math_expand(prm%p, N_sl)
prm%q = math_expand(prm%q, N_sl)
prm%B = math_expand(prm%B, N_sl)
! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
if (any(prm%v0 < 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%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
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%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'
else slipActive
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
allocate(prm%b_sl,prm%Delta_F,prm%v0,prm%CLambdaSlip,prm%p,prm%q,prm%B,source=emptyRealArray)
allocate(prm%b_sl,prm%Q_s,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))
endif slipActive
@ -279,7 +279,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%t_tw = pl%get_asFloats('t_tw', requiredSize=size(N_tw))
prm%r = pl%get_asFloats('p_tw', requiredSize=size(N_tw))
prm%xc_twin = pl%get_asFloat('x_c_tw')
prm%x_c_tw = pl%get_asFloat('x_c_tw')
prm%L_tw = pl%get_asFloat('L_tw')
prm%i_tw = pl%get_asFloat('i_tw')
@ -300,7 +300,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%r = math_expand(prm%r,N_tw)
! sanity checks
if ( prm%xc_twin < 0.0_pReal) extmsg = trim(extmsg)//' x_c_twin'
if ( prm%x_c_tw < 0.0_pReal) extmsg = trim(extmsg)//' x_c_twin'
if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw'
if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw'
@ -324,8 +324,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%h = pl%get_asFloat('h', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = pl%get_asFloat('i_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%gamma_fcc_hex = pl%get_asFloat('delta_G')
prm%xc_trans = pl%get_asFloat('x_c_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%delta_G = pl%get_asFloat('delta_G')
prm%x_c_tr = pl%get_asFloat('x_c_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = pl%get_asFloat('L_tr')
prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,pl%get_asFloats('h_tr_tr'), &
@ -351,7 +351,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%s = math_expand(prm%s,N_tr)
! sanity checks
if ( prm%xc_trans < 0.0_pReal) extmsg = trim(extmsg)//' x_c_trans'
if ( prm%x_c_tr < 0.0_pReal) extmsg = trim(extmsg)//' x_c_trans'
if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
@ -366,15 +366,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! shearband related parameters
prm%sbVelocity = pl%get_asFloat('v_sb',defaultVal=0.0_pReal)
if (prm%sbVelocity > 0.0_pReal) then
prm%sbResistance = pl%get_asFloat('xi_sb')
prm%v_sb = pl%get_asFloat('v_sb',defaultVal=0.0_pReal)
if (prm%v_sb > 0.0_pReal) then
prm%xi_sb = pl%get_asFloat('xi_sb')
prm%E_sb = pl%get_asFloat('Q_sb')
prm%p_sb = pl%get_asFloat('p_sb')
prm%q_sb = pl%get_asFloat('q_sb')
! sanity checks
if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' xi_sb'
if (prm%xi_sb < 0.0_pReal) extmsg = trim(extmsg)//' xi_sb'
if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' Q_sb'
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_sb'
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_sb'
@ -386,8 +386,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%D = pl%get_asFloat('D')
twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
prm%SFE_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dSFE_dT = pl%get_asFloat('dGamma_sf_dT')
prm%Gamma_sf_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
prm%V_cs = pl%get_asFloat('V_cs')
endif twinOrSlipActive
@ -602,7 +602,7 @@ module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
Lp = Lp * f_unrotated
dLp_dMp = dLp_dMp * f_unrotated
shearBandingContribution: if(dNeq0(prm%sbVelocity)) then
shearBandingContribution: if(dNeq0(prm%v_sb)) then
BoltzmannRatio = prm%E_sb/(kB*T)
call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
@ -613,10 +613,10 @@ module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
tau = math_tensordot(Mp,P_sb)
significantShearBandStress: if (abs(tau) > tol_math_check) then
StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb
dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance &
* (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) &
StressRatio_p = (abs(tau)/prm%xi_sb)**prm%p_sb
dot_gamma_sb = sign(prm%v_sb*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%xi_sb &
* (abs(tau)/prm%xi_sb)**(prm%p_sb-1.0_pReal) &
* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
Lp = Lp + dot_gamma_sb * P_sb
@ -675,7 +675,7 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
dot%gamma_sl(:,of) = abs(dot_gamma_sl)
rho_dip_distance_min = prm%CEdgeDipMinDistance*prm%b_sl
rho_dip_distance_min = prm%D_a*prm%b_sl
slipState: do i = 1, prm%sum_N_sl
tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
@ -701,12 +701,12 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
!@details: Refer: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
if (prm%ExtendedDislocations) then
Gamma = prm%SFE_0K + prm%dSFE_dT * T
Gamma = prm%Gamma_sf_0K + prm%dGamma_sf_dT * T
b_d = 24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu)* Gamma/(prm%mu*prm%b_sl(i))
else
b_d = 1.0_pReal
endif
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Qsd/(kB*T)) &
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) &
@ -768,7 +768,7 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,of))
Gamma = prm%SFE_0K + prm%dSFE_dT * T
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 ...
@ -776,7 +776,7 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
! 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%CLambdaSlip
stt%rho_mob(:,of)+stt%rho_dip(:,of)))/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)
@ -809,17 +809,17 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
if(prm%sum_N_tr == prm%sum_N_sl) &
dst%tau_hat_tr(:,of) = 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%gamma_fcc_hex/ (3.0_pReal*prm%b_tr)
+ 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
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%xc_twin)+cos(pi/3.0_pReal)/x0)
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)
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%xc_trans)+cos(pi/3.0_pReal)/x0)
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)
end associate
@ -927,8 +927,8 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
significantStress: where(tau_eff > tol_math_check)
stressRatio = tau_eff/prm%tau_0
StressRatio_p = stressRatio** prm%p
BoltzmannRatio = prm%Delta_F/(kB*T)
v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q)
BoltzmannRatio = prm%Q_s/(kB*T)
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)

6
src/constitutive_plastic_isotropic.f90
View File

@ -14,7 +14,7 @@ submodule(constitutive:constitutive_plastic) plastic_isotropic
M, & !< Taylor factor
dot_gamma_0, & !< reference strain rate
n, & !< stress exponent
h0, &
h_0, &
h_ln, &
xi_inf, & !< maximum critical stress
a, &
@ -109,7 +109,7 @@ module function plastic_isotropic_init() result(myPlasticity)
prm%xi_inf = pl%get_asFloat('xi_inf')
prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0')
prm%n = pl%get_asFloat('n')
prm%h0 = pl%get_asFloat('h_0')
prm%h_0 = pl%get_asFloat('h_0')
prm%M = pl%get_asFloat('M')
prm%h_ln = pl%get_asFloat('h_ln', defaultVal=0.0_pReal)
prm%c_1 = pl%get_asFloat('c_1', defaultVal=0.0_pReal)
@ -310,7 +310,7 @@ module subroutine plastic_isotropic_dotState(Mp,instance,of)
/ prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pReal / prm%n)
endif
dot%xi(of) = dot_gamma &
* ( prm%h0 + prm%h_ln * log(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)
else