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Merge remote-tracking branch 'origin/development' into cleaning

This commit is contained in:
Martin Diehl 2020-09-25 20:11:30 +02:00
parent d51a73958e 9ce9b35b06
commit 012186d676
20 changed files with 604 additions and 604 deletions
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VERSION
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@ -1 +1 @@
v3.0.0-alpha-321-g0f6495430 v3.0.0-alpha-335-gdb8f6400f

68
src/constitutive_plastic_disloTungsten.f90
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@ -17,18 +17,18 @@ submodule(constitutive:constitutive_plastic) plastic_disloTungsten
D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Q_cl = 1.0_pReal !< activation energy for dislocation climb Q_cl = 1.0_pReal !< activation energy for dislocation climb
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
b_sl, & !< magnitude of burgers vector [m] b_sl, & !< magnitude of Burgers vector [m]
D_a, & D_a, &
i_sl, & !< Adj. parameter for distance between 2 forest dislocations i_sl, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, & !< factor to calculate atomic volume f_at, & !< factor to calculate atomic volume
tau_0, & !< Peierls stress tau_Peierls, & !< Peierls stress
!* mobility law parameters !* mobility law parameters
delta_F, & !< activation energy for glide [J] Q_s, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s] v_0, & !< dislocation velocity prefactor [m/s]
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
B, & !< friction coefficient B, & !< friction coefficient
kink_height, & !< height of the kink pair h, & !< height of the kink pair
w, & !< width of the kink pair w, & !< width of the kink pair
omega !< attempt frequency for kink pair nucleation omega !< attempt frequency for kink pair nucleation
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
@ -142,7 +142,7 @@ module function plastic_disloTungsten_init() result(myPlasticity)
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(phase%get_asString('lattice')) == 'bcc') then if(trim(phase%get_asString('lattice')) == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal = emptyRealArray) a = pl%get_asFloats('a_nonSchmid',defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1) prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1) prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
else else
@ -158,17 +158,17 @@ module function plastic_disloTungsten_init() result(myPlasticity)
rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl)) 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)) 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%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
prm%delta_F = pl%get_asFloats('Q_s', 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%i_sl = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
prm%tau_0 = pl%get_asFloats('tau_peierls', requiredSize=size(N_sl)) prm%tau_Peierls = pl%get_asFloats('tau_Peierls', requiredSize=size(N_sl))
prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl), & prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl), &
defaultVal=[(1.0_pReal,i=1,size(N_sl))]) defaultVal=[(1.0_pReal,i=1,size(N_sl))])
prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl), & prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl), &
defaultVal=[(1.0_pReal,i=1,size(N_sl))]) defaultVal=[(1.0_pReal,i=1,size(N_sl))])
prm%kink_height = pl%get_asFloats('h', requiredSize=size(N_sl)) prm%h = pl%get_asFloats('h', requiredSize=size(N_sl))
prm%w = pl%get_asFloats('w', requiredSize=size(N_sl)) prm%w = pl%get_asFloats('w', requiredSize=size(N_sl))
prm%omega = pl%get_asFloats('omega', requiredSize=size(N_sl)) prm%omega = pl%get_asFloats('omega', requiredSize=size(N_sl))
prm%B = pl%get_asFloats('B', requiredSize=size(N_sl)) prm%B = pl%get_asFloats('B', requiredSize=size(N_sl))
@ -176,7 +176,7 @@ module function plastic_disloTungsten_init() result(myPlasticity)
prm%D = pl%get_asFloat('D') prm%D = pl%get_asFloat('D')
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%atomicVolume = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal prm%f_at = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
prm%D_a = pl%get_asFloat('D_a') * prm%b_sl prm%D_a = pl%get_asFloat('D_a') * prm%b_sl
prm%dipoleformation = pl%get_asBool('dipole_formation_factor', defaultVal = .true.) prm%dipoleformation = pl%get_asBool('dipole_formation_factor', defaultVal = .true.)
@ -186,16 +186,16 @@ module function plastic_disloTungsten_init() result(myPlasticity)
rho_dip_0 = math_expand(rho_dip_0, N_sl) rho_dip_0 = math_expand(rho_dip_0, N_sl)
prm%q = math_expand(prm%q, N_sl) prm%q = math_expand(prm%q, N_sl)
prm%p = math_expand(prm%p, N_sl) prm%p = math_expand(prm%p, N_sl)
prm%delta_F = math_expand(prm%delta_F, N_sl) prm%Q_s = math_expand(prm%Q_s, N_sl)
prm%b_sl = math_expand(prm%b_sl, N_sl) prm%b_sl = math_expand(prm%b_sl, N_sl)
prm%kink_height = math_expand(prm%kink_height, N_sl) prm%h = math_expand(prm%h, N_sl)
prm%w = math_expand(prm%w, N_sl) prm%w = math_expand(prm%w, N_sl)
prm%omega = math_expand(prm%omega, N_sl) prm%omega = math_expand(prm%omega, N_sl)
prm%tau_0 = math_expand(prm%tau_0, N_sl) prm%tau_Peierls = math_expand(prm%tau_Peierls, N_sl)
prm%v0 = math_expand(prm%v0, N_sl) prm%v_0 = math_expand(prm%v_0, N_sl)
prm%B = math_expand(prm%B, N_sl) prm%B = math_expand(prm%B, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl) prm%i_sl = math_expand(prm%i_sl, N_sl)
prm%atomicVolume = math_expand(prm%atomicVolume, N_sl) prm%f_at = math_expand(prm%f_at, N_sl)
prm%D_a = math_expand(prm%D_a, N_sl) prm%D_a = math_expand(prm%D_a, N_sl)
! sanity checks ! sanity checks
@ -203,17 +203,17 @@ module function plastic_disloTungsten_init() result(myPlasticity)
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl' 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_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(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%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%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls' if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls'
if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' D_a or b_sl' if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' D_a or b_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl' if (any(prm%f_at <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_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%D_a,prm%i_sl,prm%atomicVolume,prm%tau_0, & allocate(prm%b_sl,prm%D_a,prm%i_sl,prm%f_at,prm%tau_Peierls, &
prm%delta_F,prm%v0,prm%p,prm%q,prm%B,prm%kink_height,prm%w,prm%omega, & prm%Q_s,prm%v_0,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
source = emptyRealArray) source = emptyRealArray)
allocate(prm%forestProjection(0,0)) allocate(prm%forestProjection(0,0))
allocate(prm%h_sl_sl (0,0)) allocate(prm%h_sl_sl (0,0))
@ -354,7 +354,7 @@ module subroutine plastic_disloTungsten_dotState(Mp,T,instance,of)
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 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
0.0_pReal, & 0.0_pReal, &
prm%dipoleformation) prm%dipoleformation)
v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*T)) & 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)) * (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(:,of))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
end where end where
@ -477,12 +477,12 @@ pure subroutine kinetics(Mp,T,instance,of, &
if (present(tau_pos_out)) tau_pos_out = tau_pos if (present(tau_pos_out)) tau_pos_out = tau_pos
if (present(tau_neg_out)) tau_neg_out = tau_neg if (present(tau_neg_out)) tau_neg_out = tau_neg
associate(BoltzmannRatio => prm%delta_F/(kB*T), & associate(BoltzmannRatio => prm%Q_s/(kB*T), &
dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, & dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v_0, &
effectiveLength => dst%Lambda_sl(:,of) - prm%w) effectiveLength => dst%Lambda_sl(:,of) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0 StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_Peierls
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
@ -490,7 +490,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength) t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
vel = prm%kink_height/(t_n + t_k) vel = prm%h/(t_n + t_k)
dot_gamma_pos = dot_gamma_0 * sign(vel,tau_pos) * 0.5_pReal dot_gamma_pos = dot_gamma_0 * sign(vel,tau_pos) * 0.5_pReal
else where significantPositiveTau else where significantPositiveTau
@ -500,10 +500,10 @@ pure subroutine kinetics(Mp,T,instance,of, &
if (present(ddot_gamma_dtau_pos)) then 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(:,of) > tol_math_check)
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) & 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_0 * (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_Peierls
dtk = -1.0_pReal * t_k / tau_pos dtk = -1.0_pReal * t_k / tau_pos
dvel = -1.0_pReal * prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
ddot_gamma_dtau_pos = dot_gamma_0 * dvel* 0.5_pReal ddot_gamma_dtau_pos = dot_gamma_0 * dvel* 0.5_pReal
else where significantPositiveTau2 else where significantPositiveTau2
@ -512,7 +512,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
endif endif
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check) significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_0 StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_Peierls
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
@ -520,7 +520,7 @@ pure subroutine kinetics(Mp,T,instance,of, &
t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength) t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
vel = prm%kink_height/(t_n + t_k) vel = prm%h/(t_n + t_k)
dot_gamma_neg = dot_gamma_0 * sign(vel,tau_neg) * 0.5_pReal dot_gamma_neg = dot_gamma_0 * sign(vel,tau_neg) * 0.5_pReal
else where significantNegativeTau else where significantNegativeTau
@ -530,10 +530,10 @@ pure subroutine kinetics(Mp,T,instance,of, &
if (present(ddot_gamma_dtau_neg)) then 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(:,of) > tol_math_check)
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) & 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_0 * (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_Peierls
dtk = -1.0_pReal * t_k / tau_neg dtk = -1.0_pReal * t_k / tau_neg
dvel = -1.0_pReal * prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
ddot_gamma_dtau_neg = dot_gamma_0 * dvel * 0.5_pReal ddot_gamma_dtau_neg = dot_gamma_0 * dvel * 0.5_pReal
else where significantNegativeTau2 else where significantNegativeTau2

148
src/constitutive_plastic_dislotwin.f90
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@ -16,38 +16,38 @@ submodule(constitutive:constitutive_plastic) plastic_dislotwin
real(pReal) :: & real(pReal) :: &
mu = 1.0_pReal, & !< equivalent shear modulus mu = 1.0_pReal, & !< equivalent shear modulus
nu = 1.0_pReal, & !< equivalent shear Poisson's ratio nu = 1.0_pReal, & !< equivalent shear Poisson's ratio
D0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Qsd = 1.0_pReal, & !< activation energy for dislocation climb Q_cl = 1.0_pReal, & !< activation energy for dislocation climb
omega = 1.0_pReal, & !< frequency factor for dislocation climb omega = 1.0_pReal, & !< frequency factor for dislocation climb
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
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 i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
tau_0 = 1.0_pReal, & !< strength due to elements in solid solution 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_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
xc_twin = 1.0_pReal, & !< critical distance for formation of twin nucleus x_c_tw = 1.0_pReal, & !< critical distance for formation of twin nucleus
xc_trans = 1.0_pReal, & !< critical distance for formation of trans nucleus x_c_tr = 1.0_pReal, & !< critical distance for formation of trans nucleus
V_cs = 1.0_pReal, & !< cross slip volume V_cs = 1.0_pReal, & !< cross slip volume
sbResistance = 1.0_pReal, & !< value for shearband resistance xi_sb = 1.0_pReal, & !< value for shearband resistance
sbVelocity = 1.0_pReal, & !< value for shearband velocity_0 v_sb = 1.0_pReal, & !< value for shearband velocity_0
E_sb = 1.0_pReal, & !< activation energy for shear bands E_sb = 1.0_pReal, & !< activation energy for shear bands
SFE_0K = 1.0_pReal, & !< stacking fault energy at zero K Gamma_sf_0K = 1.0_pReal, & !< stacking fault energy at zero K
dSFE_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy dGamma_sf_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
gamma_fcc_hex = 1.0_pReal, & !< Free energy difference between austensite and martensite delta_G = 1.0_pReal, & !< Free energy difference between austensite and martensite
i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
h = 1.0_pReal !< Stack height of hex nucleus h = 1.0_pReal !< Stack height of hex nucleus
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
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
Delta_F,& !< activation energy for glide [J] for each slip system Q_s,& !< activation energy for glide [J] for each slip system
v0, & !< 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
t_tw, & !< twin thickness [m] for each twin 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 t_tr, & !< martensite lamellar thickness [m] for each trans system and instance
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-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_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)) 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%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
prm%Delta_F = pl%get_asFloats('Q_s', requiredSize=size(N_sl)) prm%Q_s = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
prm%CLambdaSlip = pl%get_asFloats('i_sl', 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%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_asFloats('q_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), & prm%B = pl%get_asFloats('B', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal, i=1,size(N_sl))]) defaultVal=[(0.0_pReal, i=1,size(N_sl))])
prm%tau_0 = pl%get_asFloat('tau_0') prm%tau_0 = pl%get_asFloat('tau_0')
prm%CEdgeDipMinDistance = pl%get_asFloat('D_a') prm%D_a = pl%get_asFloat('D_a')
prm%D0 = pl%get_asFloat('D_0') prm%D_0 = pl%get_asFloat('D_0')
prm%Qsd = 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.)
if (prm%ExtendedDislocations) then if (prm%ExtendedDislocations) then
prm%SFE_0K = pl%get_asFloat('Gamma_sf_0K') prm%Gamma_sf_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dSFE_dT = pl%get_asFloat('dGamma_sf_dT') prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
endif endif
prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation',defaultVal = .false.) 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 ! expand: family => system
rho_mob_0 = math_expand(rho_mob_0, N_sl) rho_mob_0 = math_expand(rho_mob_0, N_sl)
rho_dip_0 = math_expand(rho_dip_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%b_sl = math_expand(prm%b_sl, N_sl)
prm%Delta_F = math_expand(prm%Delta_F, N_sl) prm%Q_s = math_expand(prm%Q_s, N_sl)
prm%CLambdaSlip = math_expand(prm%CLambdaSlip, 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%B = math_expand(prm%B, N_sl) prm%B = math_expand(prm%B, N_sl)
! sanity checks ! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0' if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl' 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_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(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%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%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%CLambdaSlip <= 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%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%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)) allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
endif slipActive 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%t_tw = pl%get_asFloats('t_tw', requiredSize=size(N_tw))
prm%r = pl%get_asFloats('p_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%L_tw = pl%get_asFloat('L_tw')
prm%i_tw = pl%get_asFloat('i_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) prm%r = math_expand(prm%r,N_tw)
! sanity checks ! 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%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_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' 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%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%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%delta_G = pl%get_asFloat('delta_G')
prm%xc_trans = pl%get_asFloat('x_c_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that??? 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%L_tr = pl%get_asFloat('L_tr')
prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,pl%get_asFloats('h_tr_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) prm%s = math_expand(prm%s,N_tr)
! sanity checks ! 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%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_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' 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 ! shearband related parameters
prm%sbVelocity = pl%get_asFloat('v_sb',defaultVal=0.0_pReal) prm%v_sb = pl%get_asFloat('v_sb',defaultVal=0.0_pReal)
if (prm%sbVelocity > 0.0_pReal) then if (prm%v_sb > 0.0_pReal) then
prm%sbResistance = pl%get_asFloat('xi_sb') prm%xi_sb = pl%get_asFloat('xi_sb')
prm%E_sb = pl%get_asFloat('Q_sb') prm%E_sb = pl%get_asFloat('Q_sb')
prm%p_sb = pl%get_asFloat('p_sb') prm%p_sb = pl%get_asFloat('p_sb')
prm%q_sb = pl%get_asFloat('q_sb') prm%q_sb = pl%get_asFloat('q_sb')
! sanity checks ! 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%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' Q_sb'
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_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' 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') prm%D = pl%get_asFloat('D')
twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
prm%SFE_0K = pl%get_asFloat('Gamma_sf_0K') prm%Gamma_sf_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dSFE_dT = pl%get_asFloat('dGamma_sf_dT') prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
prm%V_cs = pl%get_asFloat('V_cs') prm%V_cs = pl%get_asFloat('V_cs')
endif twinOrSlipActive endif twinOrSlipActive
@ -602,7 +602,7 @@ module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
Lp = Lp * f_unrotated Lp = Lp * f_unrotated
dLp_dMp = dLp_dMp * 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) BoltzmannRatio = prm%E_sb/(kB*T)
call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design? 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) tau = math_tensordot(Mp,P_sb)
significantShearBandStress: if (abs(tau) > tol_math_check) then significantShearBandStress: if (abs(tau) > tol_math_check) then
StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb StressRatio_p = (abs(tau)/prm%xi_sb)**prm%p_sb
dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau) 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%sbResistance & ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%xi_sb &
* (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) & * (abs(tau)/prm%xi_sb)**(prm%p_sb-1.0_pReal) &
* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal) * (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
Lp = Lp + dot_gamma_sb * P_sb Lp = Lp + dot_gamma_sb * P_sb
@ -654,7 +654,7 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
Gamma, & !< stacking fault energy Gamma, & !< stacking fault energy
tau, & tau, &
sigma_cl, & !< climb stress sigma_cl, & !< climb stress
b_d !< ratio of burgers vector to stacking fault width b_d !< ratio of Burgers vector to stacking fault width
real(pReal), dimension(param(instance)%sum_N_sl) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
dot_rho_dip_formation, & dot_rho_dip_formation, &
dot_rho_dip_climb, & dot_rho_dip_climb, &
@ -675,7 +675,7 @@ module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
call kinetics_slip(Mp,T,instance,of,dot_gamma_sl) call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
dot%gamma_sl(:,of) = abs(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 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))
@ -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 !@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))) sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
if (prm%ExtendedDislocations) then 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)) b_d = 24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu)* Gamma/(prm%mu*prm%b_sl(i))
else else
b_d = 1.0_pReal b_d = 1.0_pReal
endif 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) * (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,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_twin = sum(stt%f_tw(1:prm%sum_N_tw,of))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,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 !* 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,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 ! ToDo ...Physically correct, but naming could be adjusted
inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, & 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) & 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) inv_lambda_sl_tw = matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
@ -805,21 +805,21 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
!* threshold stress for growing twin/martensite !* threshold stress for growing twin/martensite
if(prm%sum_N_tw == prm%sum_N_sl) & 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(:,of) = 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? + 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) & 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(:,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? + 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_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_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 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 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 end associate
@ -927,8 +927,8 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
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%Delta_F/(kB*T) BoltzmannRatio = prm%Q_s/(kB*T)
v_wait_inverse = prm%v0**(-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)
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(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)

6
src/constitutive_plastic_isotropic.f90
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@ -14,7 +14,7 @@ submodule(constitutive:constitutive_plastic) plastic_isotropic
M, & !< Taylor factor M, & !< Taylor factor
dot_gamma_0, & !< reference strain rate dot_gamma_0, & !< reference strain rate
n, & !< stress exponent n, & !< stress exponent
h0, & h_0, &
h_ln, & h_ln, &
xi_inf, & !< maximum critical stress xi_inf, & !< maximum critical stress
a, & a, &
@ -109,7 +109,7 @@ module function plastic_isotropic_init() result(myPlasticity)
prm%xi_inf = pl%get_asFloat('xi_inf') prm%xi_inf = pl%get_asFloat('xi_inf')
prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0') prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0')
prm%n = pl%get_asFloat('n') 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%M = pl%get_asFloat('M')
prm%h_ln = pl%get_asFloat('h_ln', defaultVal=0.0_pReal) prm%h_ln = pl%get_asFloat('h_ln', defaultVal=0.0_pReal)
prm%c_1 = pl%get_asFloat('c_1', 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) / prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pReal / prm%n)
endif endif
dot%xi(of) = dot_gamma & 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 & * 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) * sign(1.0_pReal, 1.0_pReal - stt%xi(of)/xi_inf_star)
else else

80
src/constitutive_plastic_kinehardening.f90
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@ -9,15 +9,15 @@ submodule(constitutive:constitutive_plastic) plastic_kinehardening
type :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
gdot0 = 1.0_pReal, & !< reference shear strain rate for slip n = 1.0_pReal, & !< stress exponent for slip
n = 1.0_pReal !< stress exponent for slip dot_gamma_0 = 1.0_pReal !< reference shear strain rate for slip
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
theta0, & !< initial hardening rate of forward stress for each slip h_0_f, & !< initial hardening rate of forward stress for each slip
theta1, & !< asymptotic hardening rate of forward stress for each slip h_inf_f, & !< asymptotic hardening rate of forward stress for each slip
theta0_b, & !< initial hardening rate of back stress for each slip h_0_b, & !< initial hardening rate of back stress for each slip
theta1_b, & !< asymptotic hardening rate of back stress for each slip h_inf_b, & !< asymptotic hardening rate of back stress for each slip
tau1, & xi_inf_f, &
tau1_b xi_inf_b
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
interaction_slipslip !< slip resistance from slip activity interaction_slipslip !< slip resistance from slip activity
real(pReal), allocatable, dimension(:,:,:) :: & real(pReal), allocatable, dimension(:,:,:) :: &
@ -125,7 +125,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(phase%get_asString('lattice')) == 'bcc') then if(trim(phase%get_asString('lattice')) == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal = emptyRealArray) a = pl%get_asFloats('a_nonSchmid',defaultVal = emptyRealArray)
if(size(a) > 0) prm%nonSchmidActive = .true. if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1) prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1) prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
@ -137,38 +137,38 @@ module function plastic_kinehardening_init() result(myPlasticity)
pl%get_asFloats('h_sl_sl'), & pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
xi_0 = pl%get_asFloats('xi_0', requiredSize=size(N_sl)) xi_0 = pl%get_asFloats('xi_0', requiredSize=size(N_sl))
prm%tau1 = pl%get_asFloats('xi_inf_f', requiredSize=size(N_sl)) prm%xi_inf_f = pl%get_asFloats('xi_inf_f', requiredSize=size(N_sl))
prm%tau1_b = pl%get_asFloats('xi_inf_b', requiredSize=size(N_sl)) prm%xi_inf_b = pl%get_asFloats('xi_inf_b', requiredSize=size(N_sl))
prm%theta0 = pl%get_asFloats('h_0_f', requiredSize=size(N_sl)) prm%h_0_f = pl%get_asFloats('h_0_f', requiredSize=size(N_sl))
prm%theta1 = pl%get_asFloats('h_inf_f', requiredSize=size(N_sl)) prm%h_inf_f = pl%get_asFloats('h_inf_f', requiredSize=size(N_sl))
prm%theta0_b = pl%get_asFloats('h_0_b', requiredSize=size(N_sl)) prm%h_0_b = pl%get_asFloats('h_0_b', requiredSize=size(N_sl))
prm%theta1_b = pl%get_asFloats('h_inf_b', requiredSize=size(N_sl)) prm%h_inf_b = pl%get_asFloats('h_inf_b', requiredSize=size(N_sl))
prm%gdot0 = pl%get_asFloat('dot_gamma_0') prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0')
prm%n = pl%get_asFloat('n') prm%n = pl%get_asFloat('n')
! expand: family => system ! expand: family => system
xi_0 = math_expand(xi_0, N_sl) xi_0 = math_expand(xi_0, N_sl)
prm%tau1 = math_expand(prm%tau1, N_sl) prm%xi_inf_f = math_expand(prm%xi_inf_f, N_sl)
prm%tau1_b = math_expand(prm%tau1_b, N_sl) prm%xi_inf_b = math_expand(prm%xi_inf_b, N_sl)
prm%theta0 = math_expand(prm%theta0, N_sl) prm%h_0_f = math_expand(prm%h_0_f, N_sl)
prm%theta1 = math_expand(prm%theta1, N_sl) prm%h_inf_f = math_expand(prm%h_inf_f, N_sl)
prm%theta0_b = math_expand(prm%theta0_b,N_sl) prm%h_0_b = math_expand(prm%h_0_b, N_sl)
prm%theta1_b = math_expand(prm%theta1_b,N_sl) prm%h_inf_b = math_expand(prm%h_inf_b, N_sl)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! sanity checks ! sanity checks
if ( prm%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0' if ( prm%dot_gamma_0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0'
if ( prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n' if ( prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n'
if (any(xi_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0' if (any(xi_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0'
if (any(prm%tau1 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_f' if (any(prm%xi_inf_f <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_f'
if (any(prm%tau1_b <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_b' if (any(prm%xi_inf_b <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_b'
!ToDo: Any sensible checks for theta? !ToDo: Any sensible checks for theta?
else slipActive else slipActive
xi_0 = emptyRealArray xi_0 = emptyRealArray
allocate(prm%tau1,prm%tau1_b,prm%theta0,prm%theta1,prm%theta0_b,prm%theta1_b,source=emptyRealArray) allocate(prm%xi_inf_f,prm%xi_inf_b,prm%h_0_f,prm%h_inf_f,prm%h_0_b,prm%h_inf_b,source=emptyRealArray)
allocate(prm%interaction_SlipSlip(0,0)) allocate(prm%interaction_SlipSlip(0,0))
endif slipActive endif slipActive
@ -303,16 +303,16 @@ module subroutine plastic_kinehardening_dotState(Mp,instance,of)
dot%crss(:,of) = matmul(prm%interaction_SlipSlip,dot%accshear(:,of)) & dot%crss(:,of) = matmul(prm%interaction_SlipSlip,dot%accshear(:,of)) &
* ( prm%theta1 & * ( prm%h_inf_f &
+ (prm%theta0 - prm%theta1 + prm%theta0*prm%theta1*sumGamma/prm%tau1) & + (prm%h_0_f - prm%h_inf_f + prm%h_0_f*prm%h_inf_f*sumGamma/prm%xi_inf_f) &
* exp(-sumGamma*prm%theta0/prm%tau1) & * exp(-sumGamma*prm%h_0_f/prm%xi_inf_f) &
) )
dot%crss_back(:,of) = stt%sense(:,of)*dot%accshear(:,of) * & dot%crss_back(:,of) = stt%sense(:,of)*dot%accshear(:,of) * &
( prm%theta1_b + & ( prm%h_inf_b + &
(prm%theta0_b - prm%theta1_b & (prm%h_0_b - prm%h_inf_b &
+ prm%theta0_b*prm%theta1_b/(prm%tau1_b+stt%chi0(:,of))*(stt%accshear(:,of)-stt%gamma0(:,of))& + 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%theta0_b/(prm%tau1_b+stt%chi0(:,of))) & ) *exp(-(stt%accshear(:,of)-stt%gamma0(:,of)) *prm%h_0_b/(prm%xi_inf_b+stt%chi0(:,of))) &
) )
end associate end associate
@ -442,14 +442,14 @@ pure subroutine kinetics(Mp,instance,of, &
enddo enddo
where(dNeq0(tau_pos)) where(dNeq0(tau_pos))
gdot_pos = prm%gdot0 * merge(0.5_pReal,1.0_pReal, prm%nonSchmidActive) & ! 1/2 if non-Schmid active 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(:,of))**prm%n, tau_pos)
else where else where
gdot_pos = 0.0_pReal gdot_pos = 0.0_pReal
end where end where
where(dNeq0(tau_neg)) where(dNeq0(tau_neg))
gdot_neg = prm%gdot0 * 0.5_pReal & ! only used if non-Schmid active, always 1/2 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(:,of))**prm%n, tau_neg)
else where else where
gdot_neg = 0.0_pReal gdot_neg = 0.0_pReal

356
src/constitutive_plastic_nonlocal.f90
View File

@ -46,58 +46,58 @@ submodule(constitutive:constitutive_plastic) plastic_nonlocal
type :: tInitialParameters !< container type for internal constitutive parameters type :: tInitialParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
rhoSglScatter, & !< standard deviation of scatter in initial dislocation density sigma_rho_u, & !< standard deviation of scatter in initial dislocation density
rhoSglRandom, & random_rho_u, &
rhoSglRandomBinning random_rho_u_binning
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
rhoSglEdgePos0, & !< initial edge_pos dislocation density rho_u_ed_pos_0, & !< initial edge_pos dislocation density
rhoSglEdgeNeg0, & !< initial edge_neg dislocation density rho_u_ed_neg_0, & !< initial edge_neg dislocation density
rhoSglScrewPos0, & !< initial screw_pos dislocation density rho_u_sc_pos_0, & !< initial screw_pos dislocation density
rhoSglScrewNeg0, & !< initial screw_neg dislocation density rho_u_sc_neg_0, & !< initial screw_neg dislocation density
rhoDipEdge0, & !< initial edge dipole dislocation density rho_d_ed_0, & !< initial edge dipole dislocation density
rhoDipScrew0 !< initial screw dipole dislocation density rho_d_sc_0 !< initial screw dipole dislocation density
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
N_sl N_sl
end type tInitialParameters end type tInitialParameters
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
atomicVolume, & !< atomic volume V_at, & !< atomic volume
Dsd0, & !< prefactor for self-diffusion coefficient D_0, & !< prefactor for self-diffusion coefficient
selfDiffusionEnergy, & !< activation enthalpy for diffusion Q_cl, & !< activation enthalpy for diffusion
atol_rho, & !< absolute tolerance for dislocation density in state integration atol_rho, & !< absolute tolerance for dislocation density in state integration
significantRho, & !< density considered significant rho_significant, & !< density considered significant
significantN, & !< number of dislocations considered significant rho_min, & !< number of dislocations considered significant
doublekinkwidth, & !< width of a doubkle kink in multiples of the burgers vector length b w, & !< width of a doubkle kink in multiples of the Burgers vector length b
solidSolutionEnergy, & !< activation energy for solid solution in J Q_sol, & !< activation energy for solid solution in J
solidSolutionSize, & !< solid solution obstacle size in multiples of the burgers vector length f_sol, & !< solid solution obstacle size in multiples of the Burgers vector length
solidSolutionConcentration, & !< concentration of solid solution in atomic parts c_sol, & !< concentration of solid solution in atomic parts
p, & !< parameter for kinetic law (Kocks,Argon,Ashby) p, & !< parameter for kinetic law (Kocks,Argon,Ashby)
q, & !< parameter for kinetic law (Kocks,Argon,Ashby) q, & !< parameter for kinetic law (Kocks,Argon,Ashby)
viscosity, & !< viscosity for dislocation glide in Pa s eta, & !< viscosity for dislocation glide in Pa s
fattack, & !< attack frequency in Hz nu_a, & !< attack frequency in Hz
surfaceTransmissivity, & !< transmissivity at free surface chi_surface, & !< transmissivity at free surface
grainboundaryTransmissivity, & !< transmissivity at grain boundary (identified by different texture) chi_GB, & !< transmissivity at grain boundary (identified by different texture)
CFLfactor, & !< safety factor for CFL flux condition f_c, & !< safety factor for CFL flux condition
fEdgeMultiplication, & !< factor that determines how much edge dislocations contribute to multiplication (0...1) f_ed_mult, & !< factor that determines how much edge dislocations contribute to multiplication (0...1)
linetensionEffect, & f_F, &
edgeJogFactor, & f_ed, &
mu, & mu, &
nu nu
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
minDipoleHeight_edge, & !< minimum stable edge dipole height d_ed, & !< minimum stable edge dipole height
minDipoleHeight_screw, & !< minimum stable screw dipole height d_sc, & !< minimum stable screw dipole height
peierlsstress_edge, & tau_Peierls_ed, &
peierlsstress_screw, & tau_Peierls_sc, &
lambda0, & !< mean free path prefactor for each i_sl, & !< mean free path prefactor for each
burgers !< absolute length of burgers vector [m] b_sl !< absolute length of Burgers vector [m]
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
slip_normal, & slip_normal, &
slip_direction, & slip_direction, &
slip_transverse, & slip_transverse, &
minDipoleHeight, & ! edge and screw minDipoleHeight, & ! edge and screw
peierlsstress, & ! edge and screw peierlsstress, & ! edge and screw
interactionSlipSlip ,& !< coefficients for slip-slip interaction h_sl_sl ,& !< coefficients for slip-slip interaction
forestProjection_Edge, & !< matrix of forest projections of edge dislocations forestProjection_Edge, & !< matrix of forest projections of edge dislocations
forestProjection_Screw !< matrix of forest projections of screw dislocations forestProjection_Screw !< matrix of forest projections of screw dislocations
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
@ -244,7 +244,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(phase%get_asString('lattice')) == 'bcc') then if(trim(phase%get_asString('lattice')) == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal = emptyRealArray) a = pl%get_asFloats('a_nonSchmid',defaultVal = emptyRealArray)
if(size(a) > 0) prm%nonSchmidActive = .true. if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(ini%N_sl,a,+1) prm%nonSchmid_pos = lattice_nonSchmidMatrix(ini%N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(ini%N_sl,a,-1) prm%nonSchmid_neg = lattice_nonSchmidMatrix(ini%N_sl,a,-1)
@ -253,9 +253,9 @@ module function plastic_nonlocal_init() result(myPlasticity)
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interactionSlipSlip = lattice_interaction_SlipBySlip(ini%N_sl, & prm%h_sl_sl = lattice_interaction_SlipBySlip(ini%N_sl, &
pl%get_asFloats('h_sl_sl'), & pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
prm%forestProjection_edge = lattice_forestProjection_edge (ini%N_sl,phase%get_asString('lattice'),& prm%forestProjection_edge = lattice_forestProjection_edge (ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
@ -279,113 +279,113 @@ module function plastic_nonlocal_init() result(myPlasticity)
enddo enddo
enddo enddo
ini%rhoSglEdgePos0 = pl%get_asFloats('rho_u_ed_pos_0', requiredSize=size(ini%N_sl)) ini%rho_u_ed_pos_0 = pl%get_asFloats('rho_u_ed_pos_0', requiredSize=size(ini%N_sl))
ini%rhoSglEdgeNeg0 = pl%get_asFloats('rho_u_ed_neg_0', requiredSize=size(ini%N_sl)) ini%rho_u_ed_neg_0 = pl%get_asFloats('rho_u_ed_neg_0', requiredSize=size(ini%N_sl))
ini%rhoSglScrewPos0 = pl%get_asFloats('rho_u_sc_pos_0', requiredSize=size(ini%N_sl)) ini%rho_u_sc_pos_0 = pl%get_asFloats('rho_u_sc_pos_0', requiredSize=size(ini%N_sl))
ini%rhoSglScrewNeg0 = pl%get_asFloats('rho_u_sc_neg_0', requiredSize=size(ini%N_sl)) ini%rho_u_sc_neg_0 = pl%get_asFloats('rho_u_sc_neg_0', requiredSize=size(ini%N_sl))
ini%rhoDipEdge0 = pl%get_asFloats('rho_d_ed_0', requiredSize=size(ini%N_sl)) ini%rho_d_ed_0 = pl%get_asFloats('rho_d_ed_0', requiredSize=size(ini%N_sl))
ini%rhoDipScrew0 = pl%get_asFloats('rho_d_sc_0', requiredSize=size(ini%N_sl)) ini%rho_d_sc_0 = pl%get_asFloats('rho_d_sc_0', requiredSize=size(ini%N_sl))
prm%lambda0 = pl%get_asFloats('i_sl', requiredSize=size(ini%N_sl)) prm%i_sl = pl%get_asFloats('i_sl', requiredSize=size(ini%N_sl))
prm%burgers = pl%get_asFloats('b_sl', requiredSize=size(ini%N_sl)) prm%b_sl = pl%get_asFloats('b_sl', requiredSize=size(ini%N_sl))
prm%lambda0 = math_expand(prm%lambda0,ini%N_sl) prm%i_sl = math_expand(prm%i_sl,ini%N_sl)
prm%burgers = math_expand(prm%burgers,ini%N_sl) prm%b_sl = math_expand(prm%b_sl,ini%N_sl)
prm%minDipoleHeight_edge = pl%get_asFloats('d_ed', requiredSize=size(ini%N_sl)) prm%d_ed = pl%get_asFloats('d_ed', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_screw = pl%get_asFloats('d_sc', requiredSize=size(ini%N_sl)) prm%d_sc = pl%get_asFloats('d_sc', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_edge = math_expand(prm%minDipoleHeight_edge, ini%N_sl) prm%d_ed = math_expand(prm%d_ed,ini%N_sl)
prm%minDipoleHeight_screw = math_expand(prm%minDipoleHeight_screw,ini%N_sl) prm%d_sc = math_expand(prm%d_sc,ini%N_sl)
allocate(prm%minDipoleHeight(prm%sum_N_sl,2)) allocate(prm%minDipoleHeight(prm%sum_N_sl,2))
prm%minDipoleHeight(:,1) = prm%minDipoleHeight_edge prm%minDipoleHeight(:,1) = prm%d_ed
prm%minDipoleHeight(:,2) = prm%minDipoleHeight_screw prm%minDipoleHeight(:,2) = prm%d_sc
prm%peierlsstress_edge = pl%get_asFloats('tau_peierls_ed', requiredSize=size(ini%N_sl)) prm%tau_Peierls_ed = pl%get_asFloats('tau_Peierls_ed', requiredSize=size(ini%N_sl))
prm%peierlsstress_screw = pl%get_asFloats('tau_peierls_sc', requiredSize=size(ini%N_sl)) prm%tau_Peierls_sc = pl%get_asFloats('tau_Peierls_sc', requiredSize=size(ini%N_sl))
prm%peierlsstress_edge = math_expand(prm%peierlsstress_edge, ini%N_sl) prm%tau_Peierls_ed = math_expand(prm%tau_Peierls_ed,ini%N_sl)
prm%peierlsstress_screw = math_expand(prm%peierlsstress_screw,ini%N_sl) prm%tau_Peierls_sc = math_expand(prm%tau_Peierls_sc,ini%N_sl)
allocate(prm%peierlsstress(prm%sum_N_sl,2)) allocate(prm%peierlsstress(prm%sum_N_sl,2))
prm%peierlsstress(:,1) = prm%peierlsstress_edge prm%peierlsstress(:,1) = prm%tau_Peierls_ed
prm%peierlsstress(:,2) = prm%peierlsstress_screw prm%peierlsstress(:,2) = prm%tau_Peierls_sc
prm%significantRho = pl%get_asFloat('rho_significant') prm%rho_significant = pl%get_asFloat('rho_significant')
prm%significantN = pl%get_asFloat('rho_num_significant', 0.0_pReal) prm%rho_min = pl%get_asFloat('rho_min', 0.0_pReal)
prm%CFLfactor = pl%get_asFloat('f_c',defaultVal=2.0_pReal) prm%f_c = pl%get_asFloat('f_c',defaultVal=2.0_pReal)
prm%atomicVolume = pl%get_asFloat('V_at') prm%V_at = pl%get_asFloat('V_at')
prm%Dsd0 = pl%get_asFloat('D_0') !,'dsd0' prm%D_0 = pl%get_asFloat('D_0')
prm%selfDiffusionEnergy = pl%get_asFloat('Q_cl') !,'qsd' prm%Q_cl = pl%get_asFloat('Q_cl')
prm%linetensionEffect = pl%get_asFloat('f_F') prm%f_F = pl%get_asFloat('f_F')
prm%edgeJogFactor = pl%get_asFloat('f_ed') !,'edgejogs' prm%f_ed = pl%get_asFloat('f_ed') !,'edgejogs'
prm%doublekinkwidth = pl%get_asFloat('w') prm%w = pl%get_asFloat('w')
prm%solidSolutionEnergy = pl%get_asFloat('Q_sol') prm%Q_sol = pl%get_asFloat('Q_sol')
prm%solidSolutionSize = pl%get_asFloat('f_sol') prm%f_sol = pl%get_asFloat('f_sol')
prm%solidSolutionConcentration = pl%get_asFloat('c_sol') prm%c_sol = pl%get_asFloat('c_sol')
prm%p = pl%get_asFloat('p_sl') prm%p = pl%get_asFloat('p_sl')
prm%q = pl%get_asFloat('q_sl') prm%q = pl%get_asFloat('q_sl')
prm%viscosity = pl%get_asFloat('eta') prm%eta = pl%get_asFloat('eta')
prm%fattack = pl%get_asFloat('nu_a') prm%nu_a = pl%get_asFloat('nu_a')
! ToDo: discuss logic ! ToDo: discuss logic
ini%rhoSglScatter = pl%get_asFloat('sigma_rho_u') ini%sigma_rho_u = pl%get_asFloat('sigma_rho_u')
ini%rhoSglRandom = pl%get_asFloat('random_rho_u',defaultVal= 0.0_pReal) ini%random_rho_u = pl%get_asFloat('random_rho_u',defaultVal= 0.0_pReal)
if (pl%contains('random_rho_u')) & if (pl%contains('random_rho_u')) &
ini%rhoSglRandomBinning = pl%get_asFloat('random_rho_u_binning',defaultVal=0.0_pReal) !ToDo: useful default? ini%random_rho_u_binning = pl%get_asFloat('random_rho_u_binning',defaultVal=0.0_pReal) !ToDo: useful default?
! if (rhoSglRandom(instance) < 0.0_pReal) & ! if (rhoSglRandom(instance) < 0.0_pReal) &
! if (rhoSglRandomBinning(instance) <= 0.0_pReal) & ! if (rhoSglRandomBinning(instance) <= 0.0_pReal) &
prm%surfaceTransmissivity = pl%get_asFloat('chi_surface',defaultVal=1.0_pReal) prm%chi_surface = pl%get_asFloat('chi_surface',defaultVal=1.0_pReal)
prm%grainboundaryTransmissivity = pl%get_asFloat('chi_GB', defaultVal=-1.0_pReal) prm%chi_GB = pl%get_asFloat('chi_GB', defaultVal=-1.0_pReal)
prm%fEdgeMultiplication = pl%get_asFloat('f_ed_mult') prm%f_ed_mult = pl%get_asFloat('f_ed_mult')
prm%shortRangeStressCorrection = pl%get_asBool('short_range_stress_correction', defaultVal = .false.) prm%shortRangeStressCorrection = pl%get_asBool('short_range_stress_correction', defaultVal = .false.)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! sanity checks ! sanity checks
if (any(prm%burgers < 0.0_pReal)) extmsg = trim(extmsg)//' b_sl' if (any(prm%b_sl < 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%lambda0 <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl' if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
if (any(ini%rhoSglEdgePos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_ed_pos_0' if (any(ini%rho_u_ed_pos_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_ed_pos_0'
if (any(ini%rhoSglEdgeNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_ed_neg_0' if (any(ini%rho_u_ed_neg_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_ed_neg_0'
if (any(ini%rhoSglScrewPos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_sc_pos_0' if (any(ini%rho_u_sc_pos_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_sc_pos_0'
if (any(ini%rhoSglScrewNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_sc_neg_0' if (any(ini%rho_u_sc_neg_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_sc_neg_0'
if (any(ini%rhoDipEdge0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_d_ed_0' if (any(ini%rho_d_ed_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_d_ed_0'
if (any(ini%rhoDipScrew0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_d_sc_0' if (any(ini%rho_d_sc_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_d_sc_0'
if (any(prm%peierlsstress < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls' if (any(prm%peierlsstress < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
if (any(prm%minDipoleHeight < 0.0_pReal)) extmsg = trim(extmsg)//' d_ed or d_sc' if (any(prm%minDipoleHeight < 0.0_pReal)) extmsg = trim(extmsg)//' d_ed or d_sc'
if (prm%viscosity <= 0.0_pReal) extmsg = trim(extmsg)//' eta' if (prm%eta <= 0.0_pReal) extmsg = trim(extmsg)//' eta'
if (prm%selfDiffusionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl' if (prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (prm%fattack <= 0.0_pReal) extmsg = trim(extmsg)//' nu_a' if (prm%nu_a <= 0.0_pReal) extmsg = trim(extmsg)//' nu_a'
if (prm%doublekinkwidth <= 0.0_pReal) extmsg = trim(extmsg)//' w' if (prm%w <= 0.0_pReal) extmsg = trim(extmsg)//' w'
if (prm%Dsd0 < 0.0_pReal) extmsg = trim(extmsg)//' D_0' if (prm%D_0 < 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if (prm%atomicVolume <= 0.0_pReal) extmsg = trim(extmsg)//' V_at' ! ToDo: in disloTungsten, the atomic volume is given as a factor if (prm%V_at <= 0.0_pReal) extmsg = trim(extmsg)//' V_at' ! ToDo: in disloTungsten, the atomic volume is given as a factor
if (prm%significantN < 0.0_pReal) extmsg = trim(extmsg)//' rho_num_significant' if (prm%rho_min < 0.0_pReal) extmsg = trim(extmsg)//' rho_min'
if (prm%significantrho < 0.0_pReal) extmsg = trim(extmsg)//' rho_significant' if (prm%rho_significant < 0.0_pReal) extmsg = trim(extmsg)//' rho_significant'
if (prm%atol_rho < 0.0_pReal) extmsg = trim(extmsg)//' atol_rho' if (prm%atol_rho < 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
if (prm%CFLfactor < 0.0_pReal) extmsg = trim(extmsg)//' f_c' if (prm%f_c < 0.0_pReal) extmsg = trim(extmsg)//' f_c'
if (prm%p <= 0.0_pReal .or. prm%p > 1.0_pReal) extmsg = trim(extmsg)//' p_sl' if (prm%p <= 0.0_pReal .or. prm%p > 1.0_pReal) extmsg = trim(extmsg)//' p_sl'
if (prm%q < 1.0_pReal .or. prm%q > 2.0_pReal) extmsg = trim(extmsg)//' q_sl' if (prm%q < 1.0_pReal .or. prm%q > 2.0_pReal) extmsg = trim(extmsg)//' q_sl'
if (prm%linetensionEffect < 0.0_pReal .or. prm%linetensionEffect > 1.0_pReal) & if (prm%f_F < 0.0_pReal .or. prm%f_F > 1.0_pReal) &
extmsg = trim(extmsg)//' f_F' extmsg = trim(extmsg)//' f_F'
if (prm%edgeJogFactor < 0.0_pReal .or. prm%edgeJogFactor > 1.0_pReal) & if (prm%f_ed < 0.0_pReal .or. prm%f_ed > 1.0_pReal) &
extmsg = trim(extmsg)//' f_ed' extmsg = trim(extmsg)//' f_ed'
if (prm%solidSolutionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' Q_sol' if (prm%Q_sol <= 0.0_pReal) extmsg = trim(extmsg)//' Q_sol'
if (prm%solidSolutionSize <= 0.0_pReal) extmsg = trim(extmsg)//' f_sol' if (prm%f_sol <= 0.0_pReal) extmsg = trim(extmsg)//' f_sol'
if (prm%solidSolutionConcentration <= 0.0_pReal) extmsg = trim(extmsg)//' c_sol' if (prm%c_sol <= 0.0_pReal) extmsg = trim(extmsg)//' c_sol'
if (prm%grainboundaryTransmissivity > 1.0_pReal) extmsg = trim(extmsg)//' chi_GB' if (prm%chi_GB > 1.0_pReal) extmsg = trim(extmsg)//' chi_GB'
if (prm%surfaceTransmissivity < 0.0_pReal .or. prm%surfaceTransmissivity > 1.0_pReal) & if (prm%chi_surface < 0.0_pReal .or. prm%chi_surface > 1.0_pReal) &
extmsg = trim(extmsg)//' chi_surface' extmsg = trim(extmsg)//' chi_surface'
if (prm%fEdgeMultiplication < 0.0_pReal .or. prm%fEdgeMultiplication > 1.0_pReal) & if (prm%f_ed_mult < 0.0_pReal .or. prm%f_ed_mult > 1.0_pReal) &
extmsg = trim(extmsg)//' f_ed_mult' extmsg = trim(extmsg)//' f_ed_mult'
endif slipActive endif slipActive
@ -412,7 +412,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
call IO_error(212,ext_msg='IPneighborhood does not exist') call IO_error(212,ext_msg='IPneighborhood does not exist')
plasticState(p)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention plasticState(p)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention
st0%rho => plasticState(p)%state0 (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:) st0%rho => plasticState(p)%state0 (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rho => plasticState(p)%state (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:) stt%rho => plasticState(p)%state (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
@ -620,16 +620,16 @@ module subroutine plastic_nonlocal_dependentState(F, Fp, instance, of, ip, el)
! coefficients are corrected for the line tension effect ! coefficients are corrected for the line tension effect
! (see Kubin,Devincre,Hoc; 2008; Modeling dislocation storage rates and mean free paths in face-centered cubic crystals) ! (see Kubin,Devincre,Hoc; 2008; Modeling dislocation storage rates and mean free paths in face-centered cubic crystals)
if (any(lattice_structure(material_phaseAt(1,el)) == [LATTICE_bcc_ID,LATTICE_fcc_ID])) then if (any(lattice_structure(material_phaseAt(1,el)) == [LATTICE_bcc_ID,LATTICE_fcc_ID])) then
myInteractionMatrix = prm%interactionSlipSlip & myInteractionMatrix = prm%h_sl_sl &
* spread(( 1.0_pReal - prm%linetensionEffect & * spread(( 1.0_pReal - prm%f_F &
+ prm%linetensionEffect & + prm%f_F &
* log(0.35_pReal * prm%burgers * sqrt(max(stt%rho_forest(:,of),prm%significantRho))) & * log(0.35_pReal * prm%b_sl * sqrt(max(stt%rho_forest(:,of),prm%rho_significant))) &
/ log(0.35_pReal * prm%burgers * 1e6_pReal))** 2.0_pReal,2,prm%sum_N_sl) / log(0.35_pReal * prm%b_sl * 1e6_pReal))** 2.0_pReal,2,prm%sum_N_sl)
else else
myInteractionMatrix = prm%interactionSlipSlip myInteractionMatrix = prm%h_sl_sl
endif endif
dst%tau_pass(:,of) = prm%mu * prm%burgers & dst%tau_pass(:,of) = prm%mu * prm%b_sl &
* sqrt(matmul(myInteractionMatrix,sum(abs(rho),2))) * sqrt(matmul(myInteractionMatrix,sum(abs(rho),2)))
!*** calculate the dislocation stress of the neighboring excess dislocation densities !*** calculate the dislocation stress of the neighboring excess dislocation densities
@ -731,7 +731,7 @@ module subroutine plastic_nonlocal_dependentState(F, Fp, instance, of, ip, el)
where(rhoTotal > 0.0_pReal) rhoExcessGradient_over_rho = rhoExcessGradient / rhoTotal where(rhoTotal > 0.0_pReal) rhoExcessGradient_over_rho = rhoExcessGradient / rhoTotal
! ... gives the local stress correction when multiplied with a factor ! ... gives the local stress correction when multiplied with a factor
dst%tau_back(s,of) = - prm%mu * prm%burgers(s) / (2.0_pReal * PI) & dst%tau_back(s,of) = - prm%mu * prm%b_sl(s) / (2.0_pReal * PI) &
* ( rhoExcessGradient_over_rho(1) / (1.0_pReal - prm%nu) & * ( rhoExcessGradient_over_rho(1) / (1.0_pReal - prm%nu) &
+ rhoExcessGradient_over_rho(2)) + rhoExcessGradient_over_rho(2))
enddo enddo
@ -841,7 +841,7 @@ module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
forall (s = 1:ns, t = 5:8, rhoSgl(s,t) * v(s,t-4) < 0.0_pReal) & forall (s = 1:ns, t = 5:8, rhoSgl(s,t) * v(s,t-4) < 0.0_pReal) &
rhoSgl(s,t-4) = rhoSgl(s,t-4) + abs(rhoSgl(s,t)) rhoSgl(s,t-4) = rhoSgl(s,t-4) + abs(rhoSgl(s,t))
gdotTotal = sum(rhoSgl(:,1:4) * v, 2) * prm%burgers gdotTotal = sum(rhoSgl(:,1:4) * v, 2) * prm%b_sl
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dMp = 0.0_pReal dLp_dMp = 0.0_pReal
@ -850,10 +850,10 @@ module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
forall (i=1:3,j=1:3,k=1:3,l=1:3) & forall (i=1:3,j=1:3,k=1:3,l=1:3) &
dLp_dMp(i,j,k,l) = dLp_dMp(i,j,k,l) & dLp_dMp(i,j,k,l) = dLp_dMp(i,j,k,l) &
+ prm%Schmid(i,j,s) * prm%Schmid(k,l,s) & + prm%Schmid(i,j,s) * prm%Schmid(k,l,s) &
* sum(rhoSgl(s,1:4) * dv_dtau(s,1:4)) * prm%burgers(s) & * sum(rhoSgl(s,1:4) * dv_dtau(s,1:4)) * prm%b_sl(s) &
+ prm%Schmid(i,j,s) & + prm%Schmid(i,j,s) &
* ( prm%nonSchmid_pos(k,l,s) * rhoSgl(s,3) * dv_dtauNS(s,3) & * ( prm%nonSchmid_pos(k,l,s) * rhoSgl(s,3) * dv_dtauNS(s,3) &
- prm%nonSchmid_neg(k,l,s) * rhoSgl(s,4) * dv_dtauNS(s,4)) * prm%burgers(s) - prm%nonSchmid_neg(k,l,s) * rhoSgl(s,4) * dv_dtauNS(s,4)) * prm%b_sl(s)
enddo enddo
end associate end associate
@ -929,8 +929,8 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
enddo enddo
dUpper(:,1) = prm%mu * prm%burgers/(8.0_pReal * PI * (1.0_pReal - prm%nu) * abs(tau)) dUpper(:,1) = prm%mu * prm%b_sl/(8.0_pReal * PI * (1.0_pReal - prm%nu) * abs(tau))
dUpper(:,2) = prm%mu * prm%burgers/(4.0_pReal * PI * abs(tau)) dUpper(:,2) = prm%mu * prm%b_sl/(4.0_pReal * PI * abs(tau))
where(dNeq0(sqrt(sum(abs(rho(:,edg)),2)))) & where(dNeq0(sqrt(sum(abs(rho(:,edg)),2)))) &
dUpper(:,1) = min(1.0_pReal/sqrt(sum(abs(rho(:,edg)),2)),dUpper(:,1)) dUpper(:,1) = min(1.0_pReal/sqrt(sum(abs(rho(:,edg)),2)),dUpper(:,1))
@ -1041,7 +1041,7 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
my_rhoSgl0 = rho0(:,sgl) 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),of)
gdot = rhoSgl(:,1:4) * v * spread(prm%burgers,2,4) gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
#ifdef DEBUG #ifdef DEBUG
if (debugConstitutive%basic & if (debugConstitutive%basic &
@ -1060,8 +1060,8 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
enddo enddo
dLower = prm%minDipoleHeight dLower = prm%minDipoleHeight
dUpper(:,1) = prm%mu * prm%burgers/(8.0_pReal * PI * (1.0_pReal - prm%nu) * abs(tau)) dUpper(:,1) = prm%mu * prm%b_sl/(8.0_pReal * PI * (1.0_pReal - prm%nu) * abs(tau))
dUpper(:,2) = prm%mu * prm%burgers/(4.0_pReal * PI * abs(tau)) dUpper(:,2) = prm%mu * prm%b_sl/(4.0_pReal * PI * abs(tau))
where(dNeq0(sqrt(sum(abs(rho(:,edg)),2)))) & where(dNeq0(sqrt(sum(abs(rho(:,edg)),2)))) &
dUpper(:,1) = min(1.0_pReal/sqrt(sum(abs(rho(:,edg)),2)),dUpper(:,1)) dUpper(:,1) = min(1.0_pReal/sqrt(sum(abs(rho(:,edg)),2)),dUpper(:,1))
@ -1075,18 +1075,18 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
rhoDotMultiplication = 0.0_pReal rhoDotMultiplication = 0.0_pReal
isBCC: if (lattice_structure(ph) == LATTICE_bcc_ID) then isBCC: if (lattice_structure(ph) == LATTICE_bcc_ID) then
forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal) forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal)
rhoDotMultiplication(s,1:2) = sum(abs(gdot(s,3:4))) / prm%burgers(s) & ! assuming double-cross-slip of screws to be decisive for multiplication 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%lambda0(s) ! & ! mean free path * sqrt(stt%rho_forest(s,of)) / 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 ! * 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%burgers(s) & ! assuming double-cross-slip of screws to be decisive for multiplication 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%lambda0(s) ! & ! mean free path * sqrt(stt%rho_forest(s,of)) / 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 ! * 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 endforall
else isBCC else isBCC
rhoDotMultiplication(:,1:4) = spread( & rhoDotMultiplication(:,1:4) = spread( &
(sum(abs(gdot(:,1:2)),2) * prm%fEdgeMultiplication + sum(abs(gdot(:,3:4)),2)) & (sum(abs(gdot(:,1:2)),2) * prm%f_ed_mult + sum(abs(gdot(:,3:4)),2)) &
* sqrt(stt%rho_forest(:,of)) / prm%lambda0 / prm%burgers, 2, 4) * sqrt(stt%rho_forest(:,of)) / prm%i_sl / prm%b_sl, 2, 4)
endif isBCC 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),of)
@ -1097,20 +1097,20 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
!*** formation by glide !*** formation by glide
do c = 1,2 do c = 1,2
rhoDotSingle2DipoleGlide(:,2*c-1) = -2.0_pReal * dUpper(:,c) / prm%burgers & rhoDotSingle2DipoleGlide(:,2*c-1) = -2.0_pReal * dUpper(:,c) / prm%b_sl &
* ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile * ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile
+ rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile
+ abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) ! positive mobile --> negative immobile + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) ! positive mobile --> negative immobile
rhoDotSingle2DipoleGlide(:,2*c) = -2.0_pReal * dUpper(:,c) / prm%burgers & rhoDotSingle2DipoleGlide(:,2*c) = -2.0_pReal * dUpper(:,c) / prm%b_sl &
* ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile * ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile
+ rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile + rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile
+ abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c))) ! negative mobile --> positive immobile + abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c))) ! negative mobile --> positive immobile
rhoDotSingle2DipoleGlide(:,2*c+3) = -2.0_pReal * dUpper(:,c) / prm%burgers & rhoDotSingle2DipoleGlide(:,2*c+3) = -2.0_pReal * dUpper(:,c) / prm%b_sl &
* rhoSgl(:,2*c+3) * abs(gdot(:,2*c)) ! negative mobile --> positive immobile * rhoSgl(:,2*c+3) * abs(gdot(:,2*c)) ! negative mobile --> positive immobile
rhoDotSingle2DipoleGlide(:,2*c+4) = -2.0_pReal * dUpper(:,c) / prm%burgers & rhoDotSingle2DipoleGlide(:,2*c+4) = -2.0_pReal * dUpper(:,c) / prm%b_sl &
* rhoSgl(:,2*c+4) * abs(gdot(:,2*c-1)) ! positive mobile --> negative immobile * rhoSgl(:,2*c+4) * abs(gdot(:,2*c-1)) ! positive mobile --> negative immobile
rhoDotSingle2DipoleGlide(:,c+8) = abs(rhoDotSingle2DipoleGlide(:,2*c+3)) & rhoDotSingle2DipoleGlide(:,c+8) = abs(rhoDotSingle2DipoleGlide(:,2*c+3)) &
@ -1123,27 +1123,27 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
!*** athermal annihilation !*** athermal annihilation
rhoDotAthermalAnnihilation = 0.0_pReal rhoDotAthermalAnnihilation = 0.0_pReal
forall (c=1:2) & forall (c=1:2) &
rhoDotAthermalAnnihilation(:,c+8) = -2.0_pReal * dLower(:,c) / prm%burgers & rhoDotAthermalAnnihilation(:,c+8) = -2.0_pReal * dLower(:,c) / prm%b_sl &
* ( 2.0_pReal * (rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1))) & ! was single hitting single * ( 2.0_pReal * (rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1))) & ! was single hitting single
+ 2.0_pReal * (abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single + 2.0_pReal * (abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single
+ rhoDip(:,c) * (abs(gdot(:,2*c-1)) + abs(gdot(:,2*c)))) ! single knocks dipole constituent + rhoDip(:,c) * (abs(gdot(:,2*c-1)) + abs(gdot(:,2*c)))) ! single knocks dipole constituent
! annihilated screw dipoles leave edge jogs behind on the colinear system ! annihilated screw dipoles leave edge jogs behind on the colinear system
if (lattice_structure(ph) == LATTICE_fcc_ID) & if (lattice_structure(ph) == LATTICE_fcc_ID) &
forall (s = 1:ns, prm%colinearSystem(s) > 0) & forall (s = 1:ns, prm%colinearSystem(s) > 0) &
rhoDotAthermalAnnihilation(prm%colinearSystem(s),1:2) = - rhoDotAthermalAnnihilation(s,10) & 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%edgeJogFactor * 0.25_pReal * sqrt(stt%rho_forest(s,of)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed
!*** thermally activated annihilation of edge dipoles by climb !*** thermally activated annihilation of edge dipoles by climb
rhoDotThermalAnnihilation = 0.0_pReal rhoDotThermalAnnihilation = 0.0_pReal
selfDiffusion = prm%Dsd0 * exp(-prm%selfDiffusionEnergy / (kB * Temperature)) selfDiffusion = prm%D_0 * exp(-prm%Q_cl / (kB * Temperature))
vClimb = prm%atomicVolume * selfDiffusion * prm%mu & vClimb = prm%V_at * selfDiffusion * prm%mu &
/ ( kB * Temperature * PI * (1.0_pReal-prm%nu) * (dUpper(:,1) + dLower(:,1))) / ( kB * Temperature * PI * (1.0_pReal-prm%nu) * (dUpper(:,1) + dLower(:,1)))
forall (s = 1:ns, dUpper(s,1) > dLower(s,1)) & forall (s = 1:ns, dUpper(s,1) > dLower(s,1)) &
rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), & rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), &
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) & - rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have - rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
rhoDot = rhoDotFlux(F,Fp,timestep, instance,of,ip,el) & rhoDot = rhoDotFlux(F,Fp,timestep, instance,of,ip,el) &
+ rhoDotMultiplication & + rhoDotMultiplication &
@ -1252,7 +1252,7 @@ function rhoDotFlux(F,Fp,timestep, instance,of,ip,el)
my_rhoSgl0 = rho0(:,sgl) 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),of) !ToDo: MD: I think we should use state0 here
gdot = rhoSgl(:,1:4) * v * spread(prm%burgers,2,4) 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),of)
@ -1264,14 +1264,14 @@ function rhoDotFlux(F,Fp,timestep, instance,of,ip,el)
!*** check CFL (Courant-Friedrichs-Lewy) condition for flux !*** check CFL (Courant-Friedrichs-Lewy) condition for flux
if (any( abs(gdot) > 0.0_pReal & ! any active slip system ... if (any( abs(gdot) > 0.0_pReal & ! any active slip system ...
.and. prm%CFLfactor * abs(v0) * timestep & .and. prm%f_c * abs(v0) * timestep &
> IPvolume(ip,el) / maxval(IParea(:,ip,el)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here) > IPvolume(ip,el) / maxval(IParea(:,ip,el)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here)
#ifdef DEBUG #ifdef DEBUG
if (debugConstitutive%extensive) then if (debugConstitutive%extensive) then
print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip
print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at ', & print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at ', &
maxval(abs(v0), abs(gdot) > 0.0_pReal & maxval(abs(v0), abs(gdot) > 0.0_pReal &
.and. prm%CFLfactor * abs(v0) * timestep & .and. prm%f_c * abs(v0) * timestep &
> IPvolume(ip,el) / maxval(IParea(:,ip,el))), & > IPvolume(ip,el) / maxval(IParea(:,ip,el))), &
' at a timestep of ',timestep ' at a timestep of ',timestep
print*, '<< CONST >> enforcing cutback !!!' print*, '<< CONST >> enforcing cutback !!!'
@ -1334,8 +1334,8 @@ function rhoDotFlux(F,Fp,timestep, instance,of,ip,el)
neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_instance),no),0.0_pReal) neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_instance),no),0.0_pReal)
endforall endforall
where (neighbor_rhoSgl0 * IPvolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%significantN & where (neighbor_rhoSgl0 * IPvolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%rho_min &
.or. neighbor_rhoSgl0 < prm%significantRho) & .or. neighbor_rhoSgl0 < prm%rho_significant) &
neighbor_rhoSgl0 = 0.0_pReal neighbor_rhoSgl0 = 0.0_pReal
normal_neighbor2me_defConf = math_det33(Favg) * matmul(math_inv33(transpose(Favg)), & normal_neighbor2me_defConf = math_det33(Favg) * matmul(math_inv33(transpose(Favg)), &
IPareaNormal(1:3,neighbor_n,neighbor_ip,neighbor_el)) ! normal of the interface in (average) deformed configuration (pointing neighbor => me) IPareaNormal(1:3,neighbor_n,neighbor_ip,neighbor_el)) ! normal of the interface in (average) deformed configuration (pointing neighbor => me)
@ -1460,7 +1460,7 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
if (neighbor_e <= 0 .or. neighbor_i <= 0) then if (neighbor_e <= 0 .or. neighbor_i <= 0) then
!* FREE SURFACE !* FREE SURFACE
!* Set surface transmissivity to the value specified in the material.config !* Set surface transmissivity to the value specified in the material.config
forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%surfaceTransmissivity) forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%chi_surface)
elseif (neighbor_phase /= ph) then elseif (neighbor_phase /= ph) then
!* PHASE BOUNDARY !* PHASE BOUNDARY
!* If we encounter a different nonlocal phase at the neighbor, !* If we encounter a different nonlocal phase at the neighbor,
@ -1469,13 +1469,13 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
!* we do not consider this to be a phase boundary, so completely compatible. !* we do not consider this to be a phase boundary, so completely compatible.
if (.not. phase_localPlasticity(neighbor_phase) .and. .not. phase_localPlasticity(ph)) & if (.not. phase_localPlasticity(neighbor_phase) .and. .not. phase_localPlasticity(ph)) &
forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = 0.0_pReal forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = 0.0_pReal
elseif (prm%grainboundaryTransmissivity >= 0.0_pReal) then elseif (prm%chi_GB >= 0.0_pReal) then
!* GRAIN BOUNDARY ! !* GRAIN BOUNDARY !
!* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config) !* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config)
if (any(dNeq(material_orientation0(1,i,e)%asQuaternion(), & if (any(dNeq(material_orientation0(1,i,e)%asQuaternion(), &
material_orientation0(1,neighbor_i,neighbor_e)%asQuaternion())) .and. & material_orientation0(1,neighbor_i,neighbor_e)%asQuaternion())) .and. &
(.not. phase_localPlasticity(neighbor_phase))) & (.not. phase_localPlasticity(neighbor_phase))) &
forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%grainboundaryTransmissivity) forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%chi_GB)
else else
!* GRAIN BOUNDARY ? !* GRAIN BOUNDARY ?
!* Compatibility defined by relative orientation of slip systems: !* Compatibility defined by relative orientation of slip systems:
@ -1631,7 +1631,7 @@ subroutine stateInit(ini,phase,NipcMyPhase,instance)
associate(stt => state(instance)) associate(stt => state(instance))
if (ini%rhoSglRandom > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume if (ini%random_rho_u > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume
do e = 1,discretization_nElem do e = 1,discretization_nElem
do i = 1,discretization_nIP do i = 1,discretization_nIP
if (material_phaseAt(1,e) == phase) volume(material_phasememberAt(1,i,e)) = IPvolume(i,e) if (material_phaseAt(1,e) == phase) volume(material_phasememberAt(1,i,e)) = IPvolume(i,e)
@ -1639,11 +1639,11 @@ subroutine stateInit(ini,phase,NipcMyPhase,instance)
enddo enddo
totalVolume = sum(volume) totalVolume = sum(volume)
minimumIPVolume = minval(volume) minimumIPVolume = minval(volume)
densityBinning = ini%rhoSglRandomBinning / minimumIpVolume ** (2.0_pReal / 3.0_pReal) densityBinning = ini%random_rho_u_binning / minimumIpVolume ** (2.0_pReal / 3.0_pReal)
! fill random material points with dislocation segments until the desired overall density is reached ! fill random material points with dislocation segments until the desired overall density is reached
meanDensity = 0.0_pReal meanDensity = 0.0_pReal
do while(meanDensity < ini%rhoSglRandom) do while(meanDensity < ini%random_rho_u)
call random_number(rnd) call random_number(rnd)
phasemember = nint(rnd(1)*real(NipcMyPhase,pReal) + 0.5_pReal) phasemember = nint(rnd(1)*real(NipcMyPhase,pReal) + 0.5_pReal)
s = nint(rnd(2)*real(sum(ini%N_sl),pReal)*4.0_pReal + 0.5_pReal) s = nint(rnd(2)*real(sum(ini%N_sl),pReal)*4.0_pReal + 0.5_pReal)
@ -1656,15 +1656,15 @@ subroutine stateInit(ini,phase,NipcMyPhase,instance)
from = 1 + sum(ini%N_sl(1:f-1)) from = 1 + sum(ini%N_sl(1:f-1))
upto = sum(ini%N_sl(1:f)) upto = sum(ini%N_sl(1:f))
do s = from,upto do s = from,upto
noise = [math_sampleGaussVar(0.0_pReal, ini%rhoSglScatter), & noise = [math_sampleGaussVar(0.0_pReal, ini%sigma_rho_u), &
math_sampleGaussVar(0.0_pReal, ini%rhoSglScatter)] math_sampleGaussVar(0.0_pReal, ini%sigma_rho_u)]
stt%rho_sgl_mob_edg_pos(s,e) = ini%rhoSglEdgePos0(f) + noise(1) stt%rho_sgl_mob_edg_pos(s,e) = ini%rho_u_ed_pos_0(f) + noise(1)
stt%rho_sgl_mob_edg_neg(s,e) = ini%rhoSglEdgeNeg0(f) + noise(1) stt%rho_sgl_mob_edg_neg(s,e) = ini%rho_u_ed_neg_0(f) + noise(1)
stt%rho_sgl_mob_scr_pos(s,e) = ini%rhoSglScrewPos0(f) + noise(2) stt%rho_sgl_mob_scr_pos(s,e) = ini%rho_u_sc_pos_0(f) + noise(2)
stt%rho_sgl_mob_scr_neg(s,e) = ini%rhoSglScrewNeg0(f) + noise(2) stt%rho_sgl_mob_scr_neg(s,e) = ini%rho_u_sc_neg_0(f) + noise(2)
enddo enddo
stt%rho_dip_edg(from:upto,e) = ini%rhoDipEdge0(f) stt%rho_dip_edg(from:upto,e) = ini%rho_d_ed_0(f)
stt%rho_dip_scr(from:upto,e) = ini%rhoDipScrew0(f) stt%rho_dip_scr(from:upto,e) = ini%rho_d_sc_0(f)
enddo enddo
enddo enddo
endif endif
@ -1732,14 +1732,14 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem
!* Effective stress includes non Schmid constributions !* Effective stress includes non Schmid constributions
!* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity !* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity
tauEff = max(0.0_pReal, abs(tauNS(s)) - tauThreshold(s)) ! ensure that the effective stress is positive tauEff = max(0.0_pReal, abs(tauNS(s)) - tauThreshold(s)) ! ensure that the effective stress is positive
meanfreepath_P = prm%burgers(s) meanfreepath_P = prm%b_sl(s)
jumpWidth_P = prm%burgers(s) jumpWidth_P = prm%b_sl(s)
activationLength_P = prm%doublekinkwidth *prm%burgers(s) activationLength_P = prm%w *prm%b_sl(s)
activationVolume_P = activationLength_P * jumpWidth_P * prm%burgers(s) activationVolume_P = activationLength_P * jumpWidth_P * prm%b_sl(s)
criticalStress_P = prm%peierlsStress(s,c) criticalStress_P = prm%peierlsStress(s,c)
activationEnergy_P = criticalStress_P * activationVolume_P activationEnergy_P = criticalStress_P * activationVolume_P
tauRel_P = min(1.0_pReal, tauEff / criticalStress_P) ! ensure that the activation probability cannot become greater than one tauRel_P = min(1.0_pReal, tauEff / criticalStress_P) ! ensure that the activation probability cannot become greater than one
tPeierls = 1.0_pReal / prm%fattack & tPeierls = 1.0_pReal / prm%nu_a &
* exp(activationEnergy_P / (kB * Temperature) & * exp(activationEnergy_P / (kB * Temperature) &
* (1.0_pReal - tauRel_P**prm%p)**prm%q) * (1.0_pReal - tauRel_P**prm%p)**prm%q)
if (tauEff < criticalStress_P) then if (tauEff < criticalStress_P) then
@ -1752,14 +1752,14 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem
!* Contribution from solid solution strengthening !* Contribution from solid solution strengthening
!* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity !* The derivative only gives absolute values; the correct sign is taken care of in the formula for the derivative of the velocity
tauEff = abs(tau(s)) - tauThreshold(s) tauEff = abs(tau(s)) - tauThreshold(s)
meanfreepath_S = prm%burgers(s) / sqrt(prm%solidSolutionConcentration) meanfreepath_S = prm%b_sl(s) / sqrt(prm%c_sol)
jumpWidth_S = prm%solidSolutionSize * prm%burgers(s) jumpWidth_S = prm%f_sol * prm%b_sl(s)
activationLength_S = prm%burgers(s) / sqrt(prm%solidSolutionConcentration) activationLength_S = prm%b_sl(s) / sqrt(prm%c_sol)
activationVolume_S = activationLength_S * jumpWidth_S * prm%burgers(s) activationVolume_S = activationLength_S * jumpWidth_S * prm%b_sl(s)
activationEnergy_S = prm%solidSolutionEnergy activationEnergy_S = prm%Q_sol
criticalStress_S = activationEnergy_S / activationVolume_S criticalStress_S = activationEnergy_S / activationVolume_S
tauRel_S = min(1.0_pReal, tauEff / criticalStress_S) ! ensure that the activation probability cannot become greater than one tauRel_S = min(1.0_pReal, tauEff / criticalStress_S) ! ensure that the activation probability cannot become greater than one
tSolidSolution = 1.0_pReal / prm%fattack & tSolidSolution = 1.0_pReal / prm%nu_a &
* exp(activationEnergy_S / (kB * Temperature)* (1.0_pReal - tauRel_S**prm%p)**prm%q) * exp(activationEnergy_S / (kB * Temperature)* (1.0_pReal - tauRel_S**prm%p)**prm%q)
if (tauEff < criticalStress_S) then if (tauEff < criticalStress_S) then
dtSolidSolution_dtau = tSolidSolution * prm%p * prm%q * activationVolume_S / (kB * Temperature) & dtSolidSolution_dtau = tSolidSolution * prm%p * prm%q * activationVolume_S / (kB * Temperature) &
@ -1770,7 +1770,7 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem
!* viscous glide velocity !* viscous glide velocity
tauEff = abs(tau(s)) - tauThreshold(s) tauEff = abs(tau(s)) - tauThreshold(s)
mobility = prm%burgers(s) / prm%viscosity mobility = prm%b_sl(s) / prm%eta
vViscous = mobility * tauEff vViscous = mobility * tauEff
!* Mean velocity results from waiting time at peierls barriers and solid solution obstacles with respective meanfreepath of !* Mean velocity results from waiting time at peierls barriers and solid solution obstacles with respective meanfreepath of
@ -1805,7 +1805,7 @@ pure function getRho(instance,of,ip,el)
getRho(:,mob) = max(getRho(:,mob),0.0_pReal) getRho(:,mob) = max(getRho(:,mob),0.0_pReal)
getRho(:,dip) = max(getRho(:,dip),0.0_pReal) getRho(:,dip) = max(getRho(:,dip),0.0_pReal)
where(abs(getRho) < max(prm%significantN/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%significantRho)) & where(abs(getRho) < max(prm%rho_min/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
getRho = 0.0_pReal getRho = 0.0_pReal
end associate end associate
@ -1830,7 +1830,7 @@ pure function getRho0(instance,of,ip,el)
getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal) getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)
getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal) getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal)
where(abs(getRho0) < max(prm%significantN/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%significantRho)) & where(abs(getRho0) < max(prm%rho_min/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
getRho0 = 0.0_pReal getRho0 = 0.0_pReal
end associate end associate

200
src/constitutive_plastic_phenopowerlaw.f90
View File

@ -8,28 +8,28 @@ submodule(constitutive:constitutive_plastic) plastic_phenopowerlaw
type :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
gdot0_slip = 1.0_pReal, & !< reference shear strain rate for slip dot_gamma_0_sl = 1.0_pReal, & !< reference shear strain rate for slip
gdot0_twin = 1.0_pReal, & !< reference shear strain rate for twin dot_gamma_0_tw = 1.0_pReal, & !< reference shear strain rate for twin
n_slip = 1.0_pReal, & !< stress exponent for slip n_sl = 1.0_pReal, & !< stress exponent for slip
n_twin = 1.0_pReal, & !< stress exponent for twin n_tw = 1.0_pReal, & !< stress exponent for twin
spr = 1.0_pReal, & !< push-up factor for slip saturation due to twinning f_sl_sat_tw = 1.0_pReal, & !< push-up factor for slip saturation due to twinning
c_1 = 1.0_pReal, & c_1 = 1.0_pReal, &
c_2 = 1.0_pReal, & c_2 = 1.0_pReal, &
c_3 = 1.0_pReal, & c_3 = 1.0_pReal, &
c_4 = 1.0_pReal, & c_4 = 1.0_pReal, &
h0_SlipSlip = 1.0_pReal, & !< reference hardening slip - slip h_0_sl_sl = 1.0_pReal, & !< reference hardening slip - slip
h0_TwinSlip = 1.0_pReal, & !< reference hardening twin - slip h_0_tw_sl = 1.0_pReal, & !< reference hardening twin - slip
h0_TwinTwin = 1.0_pReal, & !< reference hardening twin - twin h_0_tw_tw = 1.0_pReal, & !< reference hardening twin - twin
a_slip = 1.0_pReal a_sl = 1.0_pReal
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
xi_slip_sat, & !< maximum critical shear stress for slip xi_inf_sl, & !< maximum critical shear stress for slip
H_int, & !< per family hardening activity (optional) h_int, & !< per family hardening activity (optional)
gamma_twin_char !< characteristic shear for twins gamma_tw_char !< characteristic shear for twins
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
interaction_SlipSlip, & !< slip resistance from slip activity h_sl_sl, & !< slip resistance from slip activity
interaction_SlipTwin, & !< slip resistance from twin activity h_sl_tw, & !< slip resistance from twin activity
interaction_TwinSlip, & !< twin resistance from slip activity h_tw_sl, & !< twin resistance from slip activity
interaction_TwinTwin !< twin resistance from twin activity h_tw_tw !< twin resistance from twin activity
real(pReal), allocatable, dimension(:,:,:) :: & real(pReal), allocatable, dimension(:,:,:) :: &
P_sl, & P_sl, &
P_tw, & P_tw, &
@ -78,8 +78,8 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
N_sl, N_tw N_sl, N_tw
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
xi_slip_0, & !< initial critical shear stress for slip xi_0_sl, & !< initial critical shear stress for slip
xi_twin_0, & !< initial critical shear stress for twin xi_0_tw, & !< initial critical shear stress for twin
a !< non-Schmid coefficients a !< non-Schmid coefficients
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
@ -120,7 +120,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(phase%get_asString('lattice') == 'bcc') then if(phase%get_asString('lattice') == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal=emptyRealArray) a = pl%get_asFloats('a_nonSchmid',defaultVal=emptyRealArray)
if(size(a) > 0) prm%nonSchmidActive = .true. if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1) prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1) prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
@ -128,36 +128,36 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
prm%nonSchmid_pos = prm%P_sl prm%nonSchmid_pos = prm%P_sl
prm%nonSchmid_neg = prm%P_sl prm%nonSchmid_neg = prm%P_sl
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(N_sl, & prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl, &
pl%get_asFloats('h_sl_sl'), & pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
xi_slip_0 = pl%get_asFloats('xi_0_sl', requiredSize=size(N_sl)) xi_0_sl = pl%get_asFloats('xi_0_sl', requiredSize=size(N_sl))
prm%xi_slip_sat = pl%get_asFloats('xi_inf_sl', requiredSize=size(N_sl)) prm%xi_inf_sl = pl%get_asFloats('xi_inf_sl', requiredSize=size(N_sl))
prm%H_int = pl%get_asFloats('h_int', requiredSize=size(N_sl), & prm%h_int = pl%get_asFloats('h_int', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal,i=1,size(N_sl))]) defaultVal=[(0.0_pReal,i=1,size(N_sl))])
prm%gdot0_slip = pl%get_asFloat('dot_gamma_0_sl') prm%dot_gamma_0_sl = pl%get_asFloat('dot_gamma_0_sl')
prm%n_slip = pl%get_asFloat('n_sl') prm%n_sl = pl%get_asFloat('n_sl')
prm%a_slip = pl%get_asFloat('a_sl') prm%a_sl = pl%get_asFloat('a_sl')
prm%h0_SlipSlip = pl%get_asFloat('h_0_sl_sl') prm%h_0_sl_sl = pl%get_asFloat('h_0_sl_sl')
! expand: family => system ! expand: family => system
xi_slip_0 = math_expand(xi_slip_0, N_sl) xi_0_sl = math_expand(xi_0_sl, N_sl)
prm%xi_slip_sat = math_expand(prm%xi_slip_sat,N_sl) prm%xi_inf_sl = math_expand(prm%xi_inf_sl,N_sl)
prm%H_int = math_expand(prm%H_int, N_sl) prm%h_int = math_expand(prm%h_int, N_sl)
! sanity checks ! sanity checks
if ( prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_sl' if ( prm%dot_gamma_0_sl <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_sl'
if ( prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//' a_sl' if ( prm%a_sl <= 0.0_pReal) extmsg = trim(extmsg)//' a_sl'
if ( prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_sl' if ( prm%n_sl <= 0.0_pReal) extmsg = trim(extmsg)//' n_sl'
if (any(xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0_sl' if (any(xi_0_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0_sl'
if (any(prm%xi_slip_sat <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_sl' if (any(prm%xi_inf_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_sl'
else slipActive else slipActive
xi_slip_0 = emptyRealArray xi_0_sl = emptyRealArray
allocate(prm%xi_slip_sat,prm%H_int,source=emptyRealArray) allocate(prm%xi_inf_sl,prm%h_int,source=emptyRealArray)
allocate(prm%interaction_SlipSlip(0,0)) allocate(prm%h_sl_sl(0,0))
endif slipActive endif slipActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -165,52 +165,52 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
N_tw = pl%get_asInts('N_tw', defaultVal=emptyIntArray) N_tw = pl%get_asInts('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(N_tw)) prm%sum_N_tw = sum(abs(N_tw))
twinActive: if (prm%sum_N_tw > 0) then twinActive: if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase%get_asString('lattice'),& prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(N_tw,& prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,&
pl%get_asFloats('h_tw_tw'), & pl%get_asFloats('h_tw_tw'), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
prm%gamma_twin_char = lattice_characteristicShear_twin(N_tw,phase%get_asString('lattice'),& prm%gamma_tw_char = lattice_characteristicShear_twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
xi_twin_0 = pl%get_asFloats('xi_0_tw',requiredSize=size(N_tw)) xi_0_tw = pl%get_asFloats('xi_0_tw',requiredSize=size(N_tw))
prm%c_1 = pl%get_asFloat('c_1',defaultVal=0.0_pReal) prm%c_1 = pl%get_asFloat('c_1',defaultVal=0.0_pReal)
prm%c_2 = pl%get_asFloat('c_2',defaultVal=1.0_pReal) prm%c_2 = pl%get_asFloat('c_2',defaultVal=1.0_pReal)
prm%c_3 = pl%get_asFloat('c_3',defaultVal=0.0_pReal) prm%c_3 = pl%get_asFloat('c_3',defaultVal=0.0_pReal)
prm%c_4 = pl%get_asFloat('c_4',defaultVal=0.0_pReal) prm%c_4 = pl%get_asFloat('c_4',defaultVal=0.0_pReal)
prm%gdot0_twin = pl%get_asFloat('dot_gamma_0_tw') prm%dot_gamma_0_tw = pl%get_asFloat('dot_gamma_0_tw')
prm%n_twin = pl%get_asFloat('n_tw') prm%n_tw = pl%get_asFloat('n_tw')
prm%spr = pl%get_asFloat('f_sl_sat_tw') prm%f_sl_sat_tw = pl%get_asFloat('f_sl_sat_tw')
prm%h0_TwinTwin = pl%get_asFloat('h_0_tw_tw') prm%h_0_tw_tw = pl%get_asFloat('h_0_tw_tw')
! expand: family => system ! expand: family => system
xi_twin_0 = math_expand(xi_twin_0,N_tw) xi_0_tw = math_expand(xi_0_tw,N_tw)
! sanity checks ! sanity checks
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_tw' if (prm%dot_gamma_0_tw <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_tw'
if (prm%n_twin <= 0.0_pReal) extmsg = trim(extmsg)//' n_tw' if (prm%n_tw <= 0.0_pReal) extmsg = trim(extmsg)//' n_tw'
else twinActive else twinActive
xi_twin_0 = emptyRealArray xi_0_tw = emptyRealArray
allocate(prm%gamma_twin_char,source=emptyRealArray) allocate(prm%gamma_tw_char,source=emptyRealArray)
allocate(prm%interaction_TwinTwin(0,0)) allocate(prm%h_tw_tw(0,0))
endif twinActive endif twinActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip-twin related parameters ! slip-twin related parameters
slipAndTwinActive: if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then slipAndTwinActive: if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
prm%h0_TwinSlip = pl%get_asFloat('h_0_tw_sl') prm%h_0_tw_sl = pl%get_asFloat('h_0_tw_sl')
prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(N_sl,N_tw,& prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
pl%get_asFloats('h_sl_tw'), & pl%get_asFloats('h_sl_tw'), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(N_tw,N_sl,& prm%h_tw_sl = lattice_interaction_TwinBySlip(N_tw,N_sl,&
pl%get_asFloats('h_tw_sl'), & pl%get_asFloats('h_tw_sl'), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
else slipAndTwinActive else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%sum_N_sl,prm%sum_N_tw)) ! at least one dimension is 0 allocate(prm%h_sl_tw(prm%sum_N_sl,prm%sum_N_tw)) ! at least one dimension is 0
allocate(prm%interaction_TwinSlip(prm%sum_N_tw,prm%sum_N_sl)) ! at least one dimension is 0 allocate(prm%h_tw_sl(prm%sum_N_tw,prm%sum_N_sl)) ! at least one dimension is 0
prm%h0_TwinSlip = 0.0_pReal prm%h_0_tw_sl = 0.0_pReal
endif slipAndTwinActive endif slipAndTwinActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -237,7 +237,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
startIndex = 1 startIndex = 1
endIndex = prm%sum_N_sl endIndex = prm%sum_N_sl
stt%xi_slip => plasticState(p)%state (startIndex:endIndex,:) stt%xi_slip => plasticState(p)%state (startIndex:endIndex,:)
stt%xi_slip = spread(xi_slip_0, 2, NipcMyPhase) stt%xi_slip = spread(xi_0_sl, 2, NipcMyPhase)
dot%xi_slip => plasticState(p)%dotState(startIndex:endIndex,:) dot%xi_slip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal) plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi' if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
@ -245,7 +245,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw endIndex = endIndex + prm%sum_N_tw
stt%xi_twin => plasticState(p)%state (startIndex:endIndex,:) stt%xi_twin => plasticState(p)%state (startIndex:endIndex,:)
stt%xi_twin = spread(xi_twin_0, 2, NipcMyPhase) stt%xi_twin = spread(xi_0_tw, 2, NipcMyPhase)
dot%xi_twin => plasticState(p)%dotState(startIndex:endIndex,:) dot%xi_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal) plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi' if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
@ -354,20 +354,20 @@ module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
associate(prm => param(instance), stt => state(instance), dot => dotState(instance)) associate(prm => param(instance), stt => state(instance), dot => dotState(instance))
sumGamma = sum(stt%gamma_slip(:,of)) sumGamma = sum(stt%gamma_slip(:,of))
sumF = sum(stt%gamma_twin(:,of)/prm%gamma_twin_char) sumF = sum(stt%gamma_twin(:,of)/prm%gamma_tw_char)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! system-independent (nonlinear) prefactors to M_Xx (X influenced by x) matrices ! system-independent (nonlinear) prefactors to M_Xx (X influenced by x) matrices
c_SlipSlip = prm%h0_slipslip * (1.0_pReal + prm%c_1*sumF** prm%c_2) c_SlipSlip = prm%h_0_sl_sl * (1.0_pReal + prm%c_1*sumF** prm%c_2)
c_TwinSlip = prm%h0_TwinSlip * sumGamma**prm%c_3 c_TwinSlip = prm%h_0_tw_sl * sumGamma**prm%c_3
c_TwinTwin = prm%h0_TwinTwin * sumF**prm%c_4 c_TwinTwin = prm%h_0_tw_tw * sumF**prm%c_4
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate left and right vectors ! calculate left and right vectors
left_SlipSlip = 1.0_pReal + prm%H_int left_SlipSlip = 1.0_pReal + prm%h_int
xi_slip_sat_offset = prm%spr*sqrt(sumF) xi_slip_sat_offset = prm%f_sl_sat_tw*sqrt(sumF)
right_SlipSlip = abs(1.0_pReal-stt%xi_slip(:,of) / (prm%xi_slip_sat+xi_slip_sat_offset)) **prm%a_slip & 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_slip_sat+xi_slip_sat_offset)) * sign(1.0_pReal,1.0_pReal-stt%xi_slip(:,of) / (prm%xi_inf_sl+xi_slip_sat_offset))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! shear rates ! shear rates
@ -378,11 +378,11 @@ module subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hardening ! hardening
dot%xi_slip(:,of) = c_SlipSlip * left_SlipSlip * & dot%xi_slip(:,of) = c_SlipSlip * left_SlipSlip * &
matmul(prm%interaction_SlipSlip,dot%gamma_slip(:,of)*right_SlipSlip) & matmul(prm%h_sl_sl,dot%gamma_slip(:,of)*right_SlipSlip) &
+ matmul(prm%interaction_SlipTwin,dot%gamma_twin(:,of)) + matmul(prm%h_sl_tw,dot%gamma_twin(:,of))
dot%xi_twin(:,of) = c_TwinSlip * matmul(prm%interaction_TwinSlip,dot%gamma_slip(:,of)) & dot%xi_twin(:,of) = c_TwinSlip * matmul(prm%h_tw_sl,dot%gamma_slip(:,of)) &
+ c_TwinTwin * matmul(prm%interaction_TwinTwin,dot%gamma_twin(:,of)) + c_TwinTwin * matmul(prm%h_tw_tw,dot%gamma_twin(:,of))
end associate end associate
end subroutine plastic_phenopowerlaw_dotState end subroutine plastic_phenopowerlaw_dotState
@ -460,29 +460,29 @@ pure subroutine kinetics_slip(Mp,instance,of, &
enddo enddo
where(dNeq0(tau_slip_pos)) where(dNeq0(tau_slip_pos))
gdot_slip_pos = prm%gdot0_slip * merge(0.5_pReal,1.0_pReal, prm%nonSchmidActive) & ! 1/2 if non-Schmid active 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_slip, tau_slip_pos) * sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_sl, tau_slip_pos)
else where else where
gdot_slip_pos = 0.0_pReal gdot_slip_pos = 0.0_pReal
end where end where
where(dNeq0(tau_slip_neg)) where(dNeq0(tau_slip_neg))
gdot_slip_neg = prm%gdot0_slip * 0.5_pReal & ! only used if non-Schmid active, always 1/2 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_slip, tau_slip_neg) * sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_sl, tau_slip_neg)
else where else where
gdot_slip_neg = 0.0_pReal gdot_slip_neg = 0.0_pReal
end where end where
if (present(dgdot_dtau_slip_pos)) then if (present(dgdot_dtau_slip_pos)) then
where(dNeq0(gdot_slip_pos)) where(dNeq0(gdot_slip_pos))
dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_slip/tau_slip_pos dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_sl/tau_slip_pos
else where else where
dgdot_dtau_slip_pos = 0.0_pReal dgdot_dtau_slip_pos = 0.0_pReal
end where end where
endif endif
if (present(dgdot_dtau_slip_neg)) then if (present(dgdot_dtau_slip_neg)) then
where(dNeq0(gdot_slip_neg)) where(dNeq0(gdot_slip_neg))
dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_slip/tau_slip_neg dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_sl/tau_slip_neg
else where else where
dgdot_dtau_slip_neg = 0.0_pReal dgdot_dtau_slip_neg = 0.0_pReal
end where end where
@ -524,15 +524,15 @@ pure subroutine kinetics_twin(Mp,instance,of,&
enddo enddo
where(tau_twin > 0.0_pReal) where(tau_twin > 0.0_pReal)
gdot_twin = (1.0_pReal-sum(stt%gamma_twin(:,of)/prm%gamma_twin_char)) & ! only twin in untwinned volume fraction gdot_twin = (1.0_pReal-sum(stt%gamma_twin(:,of)/prm%gamma_tw_char)) & ! only twin in untwinned volume fraction
* prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin * prm%dot_gamma_0_tw*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_tw
else where else where
gdot_twin = 0.0_pReal gdot_twin = 0.0_pReal
end where end where
if (present(dgdot_dtau_twin)) then if (present(dgdot_dtau_twin)) then
where(dNeq0(gdot_twin)) where(dNeq0(gdot_twin))
dgdot_dtau_twin = gdot_twin*prm%n_twin/tau_twin dgdot_dtau_twin = gdot_twin*prm%n_tw/tau_twin
else where else where
dgdot_dtau_twin = 0.0_pReal dgdot_dtau_twin = 0.0_pReal
end where end where

4
src/damage_nonlocal.f90
View File

@ -134,7 +134,7 @@ function damage_nonlocal_getDiffusion(ip,el)
damage_nonlocal_getDiffusion = 0.0_pReal damage_nonlocal_getDiffusion = 0.0_pReal
do grain = 1, homogenization_Ngrains(homog) do grain = 1, homogenization_Ngrains(homog)
damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + & damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
crystallite_push33ToRef(grain,ip,el,lattice_DamageDiffusion(1:3,1:3,material_phaseAt(grain,el))) crystallite_push33ToRef(grain,ip,el,lattice_D(1:3,1:3,material_phaseAt(grain,el)))
enddo enddo
damage_nonlocal_getDiffusion = & damage_nonlocal_getDiffusion = &
@ -157,7 +157,7 @@ real(pReal) function damage_nonlocal_getMobility(ip,el)
damage_nonlocal_getMobility = 0.0_pReal damage_nonlocal_getMobility = 0.0_pReal
do ipc = 1, homogenization_Ngrains(material_homogenizationAt(el)) do ipc = 1, homogenization_Ngrains(material_homogenizationAt(el))
damage_nonlocal_getMobility = damage_nonlocal_getMobility + lattice_DamageMobility(material_phaseAt(ipc,el)) damage_nonlocal_getMobility = damage_nonlocal_getMobility + lattice_M(material_phaseAt(ipc,el))
enddo enddo
damage_nonlocal_getMobility = damage_nonlocal_getMobility/& damage_nonlocal_getMobility = damage_nonlocal_getMobility/&

88
src/homogenization_mech_RGC.f90
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@ -4,20 +4,20 @@
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Relaxed grain cluster (RGC) homogenization scheme !> @brief Relaxed grain cluster (RGC) homogenization scheme
!> Nconstituents is defined as p x q x r (cluster) !> N_constituents is defined as p x q x r (cluster)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(homogenization) homogenization_mech_RGC submodule(homogenization) homogenization_mech_RGC
use rotations use rotations
type :: tParameters type :: tParameters
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
Nconstituents N_constituents
real(pReal) :: & real(pReal) :: &
xiAlpha, & xi_alpha, &
ciAlpha c_Alpha
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
dAlpha, & D_alpha, &
angles a_g
integer :: & integer :: &
of_debug = 0 of_debug = 0
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
@ -163,20 +163,20 @@ module subroutine mech_RGC_init(num_homogMech)
prm%output = homogMech%get_asStrings('output',defaultVal=emptyStringArray) prm%output = homogMech%get_asStrings('output',defaultVal=emptyStringArray)
#endif #endif
prm%Nconstituents = homogMech%get_asInts('cluster_size',requiredSize=3) prm%N_constituents = homogMech%get_asInts('cluster_size',requiredSize=3)
if (homogenization_Ngrains(h) /= product(prm%Nconstituents)) & if (homogenization_Ngrains(h) /= product(prm%N_constituents)) &
call IO_error(211,ext_msg='clustersize (mech_rgc)') call IO_error(211,ext_msg='clustersize (mech_rgc)')
prm%xiAlpha = homogMech%get_asFloat('xi_alpha') prm%xi_alpha = homogMech%get_asFloat('xi_alpha')
prm%ciAlpha = homogMech%get_asFloat('c_alpha') prm%c_alpha = homogMech%get_asFloat('c_alpha')
prm%dAlpha = homogMech%get_asFloats('D_alpha', requiredSize=3) prm%D_alpha = homogMech%get_asFloats('D_alpha', requiredSize=3)
prm%angles = homogMech%get_asFloats('a_g', requiredSize=3) prm%a_g = homogMech%get_asFloats('a_g', requiredSize=3)
NofMyHomog = count(material_homogenizationAt == h) NofMyHomog = count(material_homogenizationAt == h)
nIntFaceTot = 3*( (prm%Nconstituents(1)-1)*prm%Nconstituents(2)*prm%Nconstituents(3) & nIntFaceTot = 3*( (prm%N_constituents(1)-1)*prm%N_constituents(2)*prm%N_constituents(3) &
+ prm%Nconstituents(1)*(prm%Nconstituents(2)-1)*prm%Nconstituents(3) & + prm%N_constituents(1)*(prm%N_constituents(2)-1)*prm%N_constituents(3) &
+ prm%Nconstituents(1)*prm%Nconstituents(2)*(prm%Nconstituents(3)-1)) + prm%N_constituents(1)*prm%N_constituents(2)*(prm%N_constituents(3)-1))
sizeState = nIntFaceTot & sizeState = nIntFaceTot &
+ size(['avg constitutive work ','average penalty energy']) + size(['avg constitutive work ','average penalty energy'])
@ -197,8 +197,8 @@ module subroutine mech_RGC_init(num_homogMech)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! assigning cluster orientations ! assigning cluster orientations
dependentState(homogenization_typeInstance(h))%orientation = spread(eu2om(prm%angles*inRad),3,NofMyHomog) dependentState(homogenization_typeInstance(h))%orientation = spread(eu2om(prm%a_g*inRad),3,NofMyHomog)
!dst%orientation = spread(eu2om(prm%angles*inRad),3,NofMyHomog) ifort version 18.0.1 crashes (for whatever reason) !dst%orientation = spread(eu2om(prm%a_g*inRad),3,NofMyHomog) ifort version 18.0.1 crashes (for whatever reason)
end associate end associate
@ -229,8 +229,8 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! compute the deformation gradient of individual grains due to relaxations ! compute the deformation gradient of individual grains due to relaxations
F = 0.0_pReal F = 0.0_pReal
do iGrain = 1,product(prm%Nconstituents) do iGrain = 1,product(prm%N_constituents)
iGrain3 = grain1to3(iGrain,prm%Nconstituents) iGrain3 = grain1to3(iGrain,prm%N_constituents)
do iFace = 1,6 do iFace = 1,6
intFace = getInterface(iFace,iGrain3) ! identifying 6 interfaces of each grain intFace = getInterface(iFace,iGrain3) ! identifying 6 interfaces of each grain
aVect = relaxationVector(intFace,instance,of) ! get the relaxation vectors for each interface from global relaxation vector array aVect = relaxationVector(intFace,instance,of) ! get the relaxation vectors for each interface from global relaxation vector array
@ -290,7 +290,7 @@ module procedure mech_RGC_updateState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! get the dimension of the cluster (grains and interfaces) ! get the dimension of the cluster (grains and interfaces)
nGDim = prm%Nconstituents nGDim = prm%N_constituents
nGrain = product(nGDim) nGrain = product(nGDim)
nIntFaceTot = (nGDim(1)-1)*nGDim(2)*nGDim(3) & nIntFaceTot = (nGDim(1)-1)*nGDim(2)*nGDim(3) &
+ nGDim(1)*(nGDim(2)-1)*nGDim(3) & + nGDim(1)*(nGDim(2)-1)*nGDim(3) &
@ -324,12 +324,12 @@ module procedure mech_RGC_updateState
!------------------------------------------------------------------------------------------------ !------------------------------------------------------------------------------------------------
! computing the residual stress from the balance of traction at all (interior) interfaces ! computing the residual stress from the balance of traction at all (interior) interfaces
do iNum = 1,nIntFaceTot do iNum = 1,nIntFaceTot
faceID = interface1to4(iNum,param(instance)%Nconstituents) ! identifying the interface ID in local coordinate system (4-dimensional index) faceID = interface1to4(iNum,param(instance)%N_constituents) ! identifying the interface ID in local coordinate system (4-dimensional index)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify the left/bottom/back grain (-|N) ! identify the left/bottom/back grain (-|N)
iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate system (3-dimensional index) iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate system (3-dimensional index)
iGrN = grain3to1(iGr3N,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrN = grain3to1(iGr3N,param(instance)%N_constituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceN = getInterface(2*faceID(1),iGr3N) intFaceN = getInterface(2*faceID(1),iGr3N)
normN = interfaceNormal(intFaceN,instance,of) normN = interfaceNormal(intFaceN,instance,of)
@ -337,7 +337,7 @@ module procedure mech_RGC_updateState
! identify the right/up/front grain (+|P) ! identify the right/up/front grain (+|P)
iGr3P = iGr3N iGr3P = iGr3N
iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! identifying the grain ID in local coordinate system (3-dimensional index) iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! identifying the grain ID in local coordinate system (3-dimensional index)
iGrP = grain3to1(iGr3P,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrP = grain3to1(iGr3P,param(instance)%N_constituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceP = getInterface(2*faceID(1)-1,iGr3P) intFaceP = getInterface(2*faceID(1)-1,iGr3P)
normP = interfaceNormal(intFaceP,instance,of) normP = interfaceNormal(intFaceP,instance,of)
@ -393,7 +393,7 @@ module procedure mech_RGC_updateState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! compute/update the state for postResult, i.e., all energy densities computed by time-integration ! compute/update the state for postResult, i.e., all energy densities computed by time-integration
do iGrain = 1,product(prm%Nconstituents) do iGrain = 1,product(prm%N_constituents)
do i = 1,3;do j = 1,3 do i = 1,3;do j = 1,3
stt%work(of) = stt%work(of) & stt%work(of) = stt%work(of) &
+ P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal) + P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
@ -450,18 +450,18 @@ module procedure mech_RGC_updateState
! ... of the constitutive stress tangent, assembled from dPdF or material constitutive model "smatrix" ! ... of the constitutive stress tangent, assembled from dPdF or material constitutive model "smatrix"
allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pReal) allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pReal)
do iNum = 1,nIntFaceTot do iNum = 1,nIntFaceTot
faceID = interface1to4(iNum,param(instance)%Nconstituents) ! assembling of local dPdF into global Jacobian matrix faceID = interface1to4(iNum,param(instance)%N_constituents) ! assembling of local dPdF into global Jacobian matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify the left/bottom/back grain (-|N) ! identify the left/bottom/back grain (-|N)
iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate sytem iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate sytem
iGrN = grain3to1(iGr3N,param(instance)%Nconstituents) ! translate into global grain ID iGrN = grain3to1(iGr3N,param(instance)%N_constituents) ! translate into global grain ID
intFaceN = getInterface(2*faceID(1),iGr3N) ! identifying the connecting interface in local coordinate system intFaceN = getInterface(2*faceID(1),iGr3N) ! identifying the connecting interface in local coordinate system
normN = interfaceNormal(intFaceN,instance,of) normN = interfaceNormal(intFaceN,instance,of)
do iFace = 1,6 do iFace = 1,6
intFaceN = getInterface(iFace,iGr3N) ! identifying all interfaces that influence relaxation of the above interface intFaceN = getInterface(iFace,iGr3N) ! identifying all interfaces that influence relaxation of the above interface
mornN = interfaceNormal(intFaceN,instance,of) mornN = interfaceNormal(intFaceN,instance,of)
iMun = interface4to1(intFaceN,param(instance)%Nconstituents) ! translate the interfaces ID into local 4-dimensional index iMun = interface4to1(intFaceN,param(instance)%N_constituents) ! translate the interfaces ID into local 4-dimensional index
if (iMun > 0) then ! get the corresponding tangent if (iMun > 0) then ! get the corresponding tangent
do i=1,3; do j=1,3; do k=1,3; do l=1,3 do i=1,3; do j=1,3; do k=1,3; do l=1,3
smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) & smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) &
@ -476,13 +476,13 @@ module procedure mech_RGC_updateState
! identify the right/up/front grain (+|P) ! identify the right/up/front grain (+|P)
iGr3P = iGr3N iGr3P = iGr3N
iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! identifying the grain ID in local coordinate sytem iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! identifying the grain ID in local coordinate sytem
iGrP = grain3to1(iGr3P,param(instance)%Nconstituents) ! translate into global grain ID iGrP = grain3to1(iGr3P,param(instance)%N_constituents) ! translate into global grain ID
intFaceP = getInterface(2*faceID(1)-1,iGr3P) ! identifying the connecting interface in local coordinate system intFaceP = getInterface(2*faceID(1)-1,iGr3P) ! identifying the connecting interface in local coordinate system
normP = interfaceNormal(intFaceP,instance,of) normP = interfaceNormal(intFaceP,instance,of)
do iFace = 1,6 do iFace = 1,6
intFaceP = getInterface(iFace,iGr3P) ! identifying all interfaces that influence relaxation of the above interface intFaceP = getInterface(iFace,iGr3P) ! identifying all interfaces that influence relaxation of the above interface
mornP = interfaceNormal(intFaceP,instance,of) mornP = interfaceNormal(intFaceP,instance,of)
iMun = interface4to1(intFaceP,param(instance)%Nconstituents) ! translate the interfaces ID into local 4-dimensional index iMun = interface4to1(intFaceP,param(instance)%N_constituents) ! translate the interfaces ID into local 4-dimensional index
if (iMun > 0) then ! get the corresponding tangent if (iMun > 0) then ! get the corresponding tangent
do i=1,3; do j=1,3; do k=1,3; do l=1,3 do i=1,3; do j=1,3; do k=1,3; do l=1,3
smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) & smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) &
@ -522,12 +522,12 @@ module procedure mech_RGC_updateState
! computing the global stress residual array from the perturbed state ! computing the global stress residual array from the perturbed state
p_resid = 0.0_pReal p_resid = 0.0_pReal
do iNum = 1,nIntFaceTot do iNum = 1,nIntFaceTot
faceID = interface1to4(iNum,param(instance)%Nconstituents) ! identifying the interface ID in local coordinate system (4-dimensional index) faceID = interface1to4(iNum,param(instance)%N_constituents) ! identifying the interface ID in local coordinate system (4-dimensional index)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify the left/bottom/back grain (-|N) ! identify the left/bottom/back grain (-|N)
iGr3N = faceID(2:4) ! identify the grain ID in local coordinate system (3-dimensional index) iGr3N = faceID(2:4) ! identify the grain ID in local coordinate system (3-dimensional index)
iGrN = grain3to1(iGr3N,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrN = grain3to1(iGr3N,param(instance)%N_constituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceN = getInterface(2*faceID(1),iGr3N) ! identify the interface ID of the grain intFaceN = getInterface(2*faceID(1),iGr3N) ! identify the interface ID of the grain
normN = interfaceNormal(intFaceN,instance,of) normN = interfaceNormal(intFaceN,instance,of)
@ -535,7 +535,7 @@ module procedure mech_RGC_updateState
! identify the right/up/front grain (+|P) ! identify the right/up/front grain (+|P)
iGr3P = iGr3N iGr3P = iGr3N
iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! identify the grain ID in local coordinate system (3-dimensional index) iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! identify the grain ID in local coordinate system (3-dimensional index)
iGrP = grain3to1(iGr3P,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrP = grain3to1(iGr3P,param(instance)%N_constituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceP = getInterface(2*faceID(1)-1,iGr3P) ! identify the interface ID of the grain intFaceP = getInterface(2*faceID(1)-1,iGr3P) ! identify the interface ID of the grain
normP = interfaceNormal(intFaceP,instance,of) normP = interfaceNormal(intFaceP,instance,of)
@ -664,7 +664,7 @@ module procedure mech_RGC_updateState
real(pReal) :: muGrain,muGNghb,nDefNorm,bgGrain,bgGNghb real(pReal) :: muGrain,muGNghb,nDefNorm,bgGrain,bgGNghb
real(pReal), parameter :: nDefToler = 1.0e-10_pReal real(pReal), parameter :: nDefToler = 1.0e-10_pReal
nGDim = param(instance)%Nconstituents nGDim = param(instance)%N_constituents
rPen = 0.0_pReal rPen = 0.0_pReal
nMis = 0.0_pReal nMis = 0.0_pReal
@ -685,11 +685,11 @@ module procedure mech_RGC_updateState
!----------------------------------------------------------------------------------------------- !-----------------------------------------------------------------------------------------------
! computing the mismatch and penalty stress tensor of all grains ! computing the mismatch and penalty stress tensor of all grains
grainLoop: do iGrain = 1,product(prm%Nconstituents) grainLoop: do iGrain = 1,product(prm%N_constituents)
Gmoduli = equivalentModuli(iGrain,ip,el) Gmoduli = equivalentModuli(iGrain,ip,el)
muGrain = Gmoduli(1) ! collecting the equivalent shear modulus of grain muGrain = Gmoduli(1) ! collecting the equivalent shear modulus of grain
bgGrain = Gmoduli(2) ! and the lengthh of Burgers vector bgGrain = Gmoduli(2) ! and the lengthh of Burgers vector
iGrain3 = grain1to3(iGrain,prm%Nconstituents) ! get the grain ID in local 3-dimensional index (x,y,z)-position iGrain3 = grain1to3(iGrain,prm%N_constituents) ! get the grain ID in local 3-dimensional index (x,y,z)-position
interfaceLoop: do iFace = 1,6 interfaceLoop: do iFace = 1,6
intFace = getInterface(iFace,iGrain3) ! get the 4-dimensional index of the interface in local numbering system of the grain intFace = getInterface(iFace,iGrain3) ! get the 4-dimensional index of the interface in local numbering system of the grain
@ -699,7 +699,7 @@ module procedure mech_RGC_updateState
+ int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal)) + int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal))
where(iGNghb3 < 1) iGNghb3 = nGDim where(iGNghb3 < 1) iGNghb3 = nGDim
where(iGNghb3 >nGDim) iGNghb3 = 1 where(iGNghb3 >nGDim) iGNghb3 = 1
iGNghb = grain3to1(iGNghb3,prm%Nconstituents) ! get the ID of the neighboring grain iGNghb = grain3to1(iGNghb3,prm%N_constituents) ! get the ID of the neighboring grain
Gmoduli = equivalentModuli(iGNghb,ip,el) ! collect the shear modulus and Burgers vector of the neighbor Gmoduli = equivalentModuli(iGNghb,ip,el) ! collect the shear modulus and Burgers vector of the neighbor
muGNghb = Gmoduli(1) muGNghb = Gmoduli(1)
bgGNghb = Gmoduli(2) bgGNghb = Gmoduli(2)
@ -728,9 +728,9 @@ module procedure mech_RGC_updateState
!------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------
! compute the stress penalty of all interfaces ! compute the stress penalty of all interfaces
do i = 1,3; do j = 1,3; do k = 1,3; do l = 1,3 do i = 1,3; do j = 1,3; do k = 1,3; do l = 1,3
rPen(i,j,iGrain) = rPen(i,j,iGrain) + 0.5_pReal*(muGrain*bgGrain + muGNghb*bgGNghb)*prm%xiAlpha & rPen(i,j,iGrain) = rPen(i,j,iGrain) + 0.5_pReal*(muGrain*bgGrain + muGNghb*bgGNghb)*prm%xi_alpha &
*surfCorr(abs(intFace(1)))/prm%dAlpha(abs(intFace(1))) & *surfCorr(abs(intFace(1)))/prm%D_alpha(abs(intFace(1))) &
*cosh(prm%ciAlpha*nDefNorm) & *cosh(prm%c_alpha*nDefNorm) &
*0.5_pReal*nVect(l)*nDef(i,k)/nDefNorm*math_LeviCivita(k,l,j) & *0.5_pReal*nVect(l)*nDef(i,k)/nDefNorm*math_LeviCivita(k,l,j) &
*tanh(nDefNorm/num%xSmoo) *tanh(nDefNorm/num%xSmoo)
enddo; enddo;enddo; enddo enddo; enddo;enddo; enddo
@ -885,8 +885,8 @@ module procedure mech_RGC_updateState
associate(prm => param(instance)) associate(prm => param(instance))
F = 0.0_pReal F = 0.0_pReal
do iGrain = 1,product(prm%Nconstituents) do iGrain = 1,product(prm%N_constituents)
iGrain3 = grain1to3(iGrain,prm%Nconstituents) iGrain3 = grain1to3(iGrain,prm%N_constituents)
do iFace = 1,6 do iFace = 1,6
intFace = getInterface(iFace,iGrain3) intFace = getInterface(iFace,iGrain3)
aVect = relaxationVector(intFace,instance,of) aVect = relaxationVector(intFace,instance,of)
@ -916,8 +916,8 @@ module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ins
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance integer, intent(in) :: instance
avgP = sum(P,3) /real(product(param(instance)%Nconstituents),pReal) avgP = sum(P,3) /real(product(param(instance)%N_constituents),pReal)
dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%Nconstituents),pReal) dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%N_constituents),pReal)
end subroutine mech_RGC_averageStressAndItsTangent end subroutine mech_RGC_averageStressAndItsTangent
@ -975,7 +975,7 @@ pure function relaxationVector(intFace,instance,of)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! collect the interface relaxation vector from the global state array ! collect the interface relaxation vector from the global state array
iNum = interface4to1(intFace,param(instance)%Nconstituents) ! identify the position of the interface in global state array iNum = interface4to1(intFace,param(instance)%N_constituents) ! identify the position of the interface in global state array
if (iNum > 0) then if (iNum > 0) then
relaxationVector = state(instance)%relaxationVector((3*iNum-2):(3*iNum),of) relaxationVector = state(instance)%relaxationVector((3*iNum-2):(3*iNum),of)
else else

8
src/homogenization_mech_isostrain.f90
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@ -13,7 +13,7 @@ submodule(homogenization) homogenization_mech_isostrain
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
integer :: & integer :: &
Nconstituents N_constituents
integer(kind(average_ID)) :: & integer(kind(average_ID)) :: &
mapping mapping
end type end type
@ -51,7 +51,7 @@ module subroutine mech_isostrain_init
homogMech => homog%get('mech') homogMech => homog%get('mech')
associate(prm => param(homogenization_typeInstance(h))) associate(prm => param(homogenization_typeInstance(h)))
prm%Nconstituents = homogMech%get_asInt('N_constituents') prm%N_constituents = homogMech%get_asInt('N_constituents')
select case(homogMech%get_asString('mapping',defaultVal = 'sum')) select case(homogMech%get_asString('mapping',defaultVal = 'sum'))
case ('sum') case ('sum')
prm%mapping = parallel_ID prm%mapping = parallel_ID
@ -107,8 +107,8 @@ module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dP
avgP = sum(P,3) avgP = sum(P,3)
dAvgPdAvgF = sum(dPdF,5) dAvgPdAvgF = sum(dPdF,5)
case (average_ID) case (average_ID)
avgP = sum(P,3) /real(prm%Nconstituents,pReal) avgP = sum(P,3) /real(prm%N_constituents,pReal)
dAvgPdAvgF = sum(dPdF,5)/real(prm%Nconstituents,pReal) dAvgPdAvgF = sum(dPdF,5)/real(prm%N_constituents,pReal)
end select end select
end associate end associate

34
src/kinematics_cleavage_opening.f90
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@ -12,10 +12,10 @@ submodule(constitutive:constitutive_damage) kinematics_cleavage_opening
integer :: & integer :: &
sum_N_cl !< total number of cleavage planes sum_N_cl !< total number of cleavage planes
real(pReal) :: & real(pReal) :: &
sdot0, & !< opening rate of cleavage planes dot_o, & !< opening rate of cleavage planes
n !< damage rate sensitivity q !< damage rate sensitivity
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
critLoad g_crit
real(pReal), dimension(:,:,:,:), allocatable :: & real(pReal), dimension(:,:,:,:), allocatable :: &
cleavage_systems cleavage_systems
end type tParameters end type tParameters
@ -70,21 +70,21 @@ module function kinematics_cleavage_opening_init(kinematics_length) result(myKin
N_cl = kinematic_type%get_asInts('N_cl') N_cl = kinematic_type%get_asInts('N_cl')
prm%sum_N_cl = sum(abs(N_cl)) prm%sum_N_cl = sum(abs(N_cl))
prm%n = kinematic_type%get_asFloat('q') prm%q = kinematic_type%get_asFloat('q')
prm%sdot0 = kinematic_type%get_asFloat('dot_o') prm%dot_o = kinematic_type%get_asFloat('dot_o')
prm%critLoad = kinematic_type%get_asFloats('g_crit',requiredSize=size(N_cl)) prm%g_crit = kinematic_type%get_asFloats('g_crit',requiredSize=size(N_cl))
prm%cleavage_systems = lattice_SchmidMatrix_cleavage(N_cl,phase%get_asString('lattice'),& prm%cleavage_systems = lattice_SchmidMatrix_cleavage(N_cl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
! expand: family => system ! expand: family => system
prm%critLoad = math_expand(prm%critLoad,N_cl) prm%g_crit = math_expand(prm%g_crit,N_cl)
! sanity checks ! sanity checks
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' q' if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (prm%sdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_o' if (prm%dot_o <= 0.0_pReal) extmsg = trim(extmsg)//' dot_o'
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit' if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range ! exit if any parameter is out of range
@ -128,13 +128,13 @@ module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S,
dLd_dTstar = 0.0_pReal dLd_dTstar = 0.0_pReal
associate(prm => param(kinematics_cleavage_opening_instance(material_phaseAt(ipc,el)))) associate(prm => param(kinematics_cleavage_opening_instance(material_phaseAt(ipc,el))))
do i = 1,prm%sum_N_cl do i = 1,prm%sum_N_cl
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset)**2.0_pReal traction_crit = prm%g_crit(i)* damage(homog)%p(damageOffset)**2.0_pReal
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i)) traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
if (abs(traction_d) > traction_crit + tol_math_check) then if (abs(traction_d) > traction_crit + tol_math_check) then
udotd = sign(1.0_pReal,traction_d)* prm%sdot0 * ((abs(traction_d) - traction_crit)/traction_crit)**prm%n udotd = sign(1.0_pReal,traction_d)* prm%dot_o * ((abs(traction_d) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i) Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i)
dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%n / (abs(traction_d) - traction_crit) dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%q / (abs(traction_d) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) & dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i) + dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i)
@ -142,9 +142,9 @@ module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S,
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i)) traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
if (abs(traction_t) > traction_crit + tol_math_check) then if (abs(traction_t) > traction_crit + tol_math_check) then
udott = sign(1.0_pReal,traction_t)* prm%sdot0 * ((abs(traction_t) - traction_crit)/traction_crit)**prm%n udott = sign(1.0_pReal,traction_t)* prm%dot_o * ((abs(traction_t) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i) Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i)
dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%n / (abs(traction_t) - traction_crit) dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%q / (abs(traction_t) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) & dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i) + dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i)
@ -152,9 +152,9 @@ module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S,
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i)) traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
if (abs(traction_n) > traction_crit + tol_math_check) then if (abs(traction_n) > traction_crit + tol_math_check) then
udotn = sign(1.0_pReal,traction_n)* prm%sdot0 * ((abs(traction_n) - traction_crit)/traction_crit)**prm%n udotn = sign(1.0_pReal,traction_n)* prm%dot_o * ((abs(traction_n) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i) Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i)
dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%n / (abs(traction_n) - traction_crit) dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%q / (abs(traction_n) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) & dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i) + dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i)

40
src/kinematics_slipplane_opening.f90
View File

@ -12,10 +12,10 @@ submodule(constitutive:constitutive_damage) kinematics_slipplane_opening
integer :: & integer :: &
sum_N_sl !< total number of cleavage planes sum_N_sl !< total number of cleavage planes
real(pReal) :: & real(pReal) :: &
sdot0, & !< opening rate of cleavage planes dot_o, & !< opening rate of cleavage planes
n !< damage rate sensitivity q !< damage rate sensitivity
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
critLoad g_crit
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
P_d, & P_d, &
P_t, & P_t, &
@ -70,8 +70,8 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
associate(prm => param(kinematics_slipplane_opening_instance(p))) associate(prm => param(kinematics_slipplane_opening_instance(p)))
kinematic_type => kinematics%get(k) kinematic_type => kinematics%get(k)
prm%sdot0 = kinematic_type%get_asFloat('dot_o') prm%dot_o = kinematic_type%get_asFloat('dot_o')
prm%n = kinematic_type%get_asFloat('q') prm%q = kinematic_type%get_asFloat('q')
N_sl = pl%get_asInts('N_sl') N_sl = pl%get_asInts('N_sl')
prm%sum_N_sl = sum(abs(N_sl)) prm%sum_N_sl = sum(abs(N_sl))
@ -89,15 +89,15 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
prm%P_n(1:3,1:3,i) = math_outer(n(1:3,i), n(1:3,i)) prm%P_n(1:3,1:3,i) = math_outer(n(1:3,i), n(1:3,i))
enddo enddo
prm%critLoad = kinematic_type%get_asFloats('g_crit',requiredSize=size(N_sl)) prm%g_crit = kinematic_type%get_asFloats('g_crit',requiredSize=size(N_sl))
! expand: family => system ! expand: family => system
prm%critLoad = math_expand(prm%critLoad,N_sl) prm%g_crit = math_expand(prm%g_crit,N_sl)
! sanity checks ! sanity checks
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' anisoDuctile_n' if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' anisoDuctile_n'
if (prm%sdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' anisoDuctile_sdot0' if (prm%dot_o <= 0.0_pReal) extmsg = trim(extmsg)//' anisoDuctile_sdot0'
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' anisoDuctile_critLoad' if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' anisoDuctile_critLoad'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range ! exit if any parameter is out of range
@ -150,27 +150,27 @@ module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S
traction_t = math_tensordot(S,prm%P_t(1:3,1:3,i)) traction_t = math_tensordot(S,prm%P_t(1:3,1:3,i))
traction_n = math_tensordot(S,prm%P_n(1:3,1:3,i)) traction_n = math_tensordot(S,prm%P_n(1:3,1:3,i))
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage traction_crit = prm%g_crit(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage
udotd = sign(1.0_pReal,traction_d)* prm%sdot0* ( abs(traction_d)/traction_crit & udotd = sign(1.0_pReal,traction_d)* prm%dot_o* ( abs(traction_d)/traction_crit &
- abs(traction_d)/prm%critLoad(i))**prm%n - abs(traction_d)/prm%g_crit(i))**prm%q
udott = sign(1.0_pReal,traction_t)* prm%sdot0* ( abs(traction_t)/traction_crit & udott = sign(1.0_pReal,traction_t)* prm%dot_o* ( abs(traction_t)/traction_crit &
- abs(traction_t)/prm%critLoad(i))**prm%n - abs(traction_t)/prm%g_crit(i))**prm%q
udotn = prm%sdot0* ( max(0.0_pReal,traction_n)/traction_crit & udotn = prm%dot_o* ( max(0.0_pReal,traction_n)/traction_crit &
- max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n - max(0.0_pReal,traction_n)/prm%g_crit(i))**prm%q
if (dNeq0(traction_d)) then if (dNeq0(traction_d)) then
dudotd_dt = udotd*prm%n/traction_d dudotd_dt = udotd*prm%q/traction_d
else else
dudotd_dt = 0.0_pReal dudotd_dt = 0.0_pReal
endif endif
if (dNeq0(traction_t)) then if (dNeq0(traction_t)) then
dudott_dt = udott*prm%n/traction_t dudott_dt = udott*prm%q/traction_t
else else
dudott_dt = 0.0_pReal dudott_dt = 0.0_pReal
endif endif
if (dNeq0(traction_n)) then if (dNeq0(traction_n)) then
dudotn_dt = udotn*prm%n/traction_n dudotn_dt = udotn*prm%q/traction_n
else else
dudotn_dt = 0.0_pReal dudotn_dt = 0.0_pReal
endif endif

32
src/kinematics_thermal_expansion.f90
View File

@ -11,7 +11,7 @@ submodule(constitutive:constitutive_thermal) kinematics_thermal_expansion
real(pReal) :: & real(pReal) :: &
T_ref T_ref
real(pReal), dimension(3,3,3) :: & real(pReal), dimension(3,3,3) :: &
expansion = 0.0_pReal A = 0.0_pReal
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable :: param type(tParameters), dimension(:), allocatable :: param
@ -64,13 +64,13 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
! read up to three parameters (constant, linear, quadratic with T) ! read up to three parameters (constant, linear, quadratic with T)
temp = kinematic_type%get_asFloats('A_11') temp = kinematic_type%get_asFloats('A_11')
prm%expansion(1,1,1:size(temp)) = temp prm%A(1,1,1:size(temp)) = temp
temp = kinematic_type%get_asFloats('A_22',defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp)) temp = kinematic_type%get_asFloats('A_22',defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp))
prm%expansion(2,2,1:size(temp)) = temp prm%A(2,2,1:size(temp)) = temp
temp = kinematic_type%get_asFloats('A_33',defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp)) temp = kinematic_type%get_asFloats('A_33',defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp))
prm%expansion(3,3,1:size(temp)) = temp prm%A(3,3,1:size(temp)) = temp
do i=1, size(prm%expansion,3) do i=1, size(prm%A,3)
prm%expansion(1:3,1:3,i) = lattice_applyLatticeSymmetry33(prm%expansion(1:3,1:3,i),& prm%A(1:3,1:3,i) = lattice_applyLatticeSymmetry33(prm%A(1:3,1:3,i),&
phase%get_asString('lattice')) phase%get_asString('lattice'))
enddo enddo
@ -94,13 +94,13 @@ pure module function kinematics_thermal_expansion_initialStrain(homog,phase,offs
offset offset
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
initialStrain !< initial thermal strain (should be small strain, though) initialStrain !< initial thermal strain (should be small strain, though)
associate(prm => param(kinematics_thermal_expansion_instance(phase))) associate(prm => param(kinematics_thermal_expansion_instance(phase)))
initialStrain = & initialStrain = &
(temperature(homog)%p(offset) - prm%T_ref)**1 / 1. * prm%expansion(1:3,1:3,1) + & ! constant coefficient (temperature(homog)%p(offset) - prm%T_ref)**1 / 1. * prm%A(1:3,1:3,1) + & ! constant coefficient
(temperature(homog)%p(offset) - prm%T_ref)**2 / 2. * prm%expansion(1:3,1:3,2) + & ! linear coefficient (temperature(homog)%p(offset) - prm%T_ref)**2 / 2. * prm%A(1:3,1:3,2) + & ! linear coefficient
(temperature(homog)%p(offset) - prm%T_ref)**3 / 3. * prm%expansion(1:3,1:3,3) ! quadratic coefficient (temperature(homog)%p(offset) - prm%T_ref)**3 / 3. * prm%A(1:3,1:3,3) ! quadratic coefficient
end associate end associate
end function kinematics_thermal_expansion_initialStrain end function kinematics_thermal_expansion_initialStrain
@ -133,14 +133,14 @@ module subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, i
associate(prm => param(kinematics_thermal_expansion_instance(phase))) associate(prm => param(kinematics_thermal_expansion_instance(phase)))
Li = TDot * ( & Li = TDot * ( &
prm%expansion(1:3,1:3,1)*(T - prm%T_ref)**0 & ! constant coefficient prm%A(1:3,1:3,1)*(T - prm%T_ref)**0 & ! constant coefficient
+ prm%expansion(1:3,1:3,2)*(T - prm%T_ref)**1 & ! linear coefficient + prm%A(1:3,1:3,2)*(T - prm%T_ref)**1 & ! linear coefficient
+ prm%expansion(1:3,1:3,3)*(T - prm%T_ref)**2 & ! quadratic coefficient + prm%A(1:3,1:3,3)*(T - prm%T_ref)**2 & ! quadratic coefficient
) / & ) / &
(1.0_pReal & (1.0_pReal &
+ prm%expansion(1:3,1:3,1)*(T - prm%T_ref)**1 / 1. & + prm%A(1:3,1:3,1)*(T - prm%T_ref)**1 / 1. &
+ prm%expansion(1:3,1:3,2)*(T - prm%T_ref)**2 / 2. & + prm%A(1:3,1:3,2)*(T - prm%T_ref)**2 / 2. &
+ prm%expansion(1:3,1:3,3)*(T - prm%T_ref)**3 / 3. & + prm%A(1:3,1:3,3)*(T - prm%T_ref)**3 / 3. &
) )
end associate end associate
dLi_dTstar = 0.0_pReal dLi_dTstar = 0.0_pReal

44
src/lattice.f90
View File

@ -394,13 +394,13 @@ module lattice
! SHOULD NOT BE PART OF LATTICE BEGIN ! SHOULD NOT BE PART OF LATTICE BEGIN
real(pReal), dimension(:), allocatable, public, protected :: & real(pReal), dimension(:), allocatable, public, protected :: &
lattice_mu, lattice_nu, & lattice_mu, lattice_nu, &
lattice_damageMobility, & lattice_M, &
lattice_massDensity, & lattice_rho, &
lattice_specificHeat lattice_c_p
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66, & lattice_C66, &
lattice_thermalConductivity, & lattice_K, &
lattice_damageDiffusion lattice_D
integer(kind(lattice_UNDEFINED_ID)), dimension(:), allocatable, public, protected :: & integer(kind(lattice_UNDEFINED_ID)), dimension(:), allocatable, public, protected :: &
lattice_structure lattice_structure
! SHOULD NOT BE PART OF LATTICE END ! SHOULD NOT BE PART OF LATTICE END
@ -465,11 +465,11 @@ subroutine lattice_init
allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID) allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID)
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal) allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_thermalConductivity (3,3,Nphases), source=0.0_pReal) allocate(lattice_K (3,3,Nphases), source=0.0_pReal)
allocate(lattice_damageDiffusion (3,3,Nphases), source=0.0_pReal) allocate(lattice_D (3,3,Nphases), source=0.0_pReal)
allocate(lattice_damageMobility,& allocate(lattice_M,&
lattice_massDensity,lattice_specificHeat, & lattice_rho,lattice_c_p, &
lattice_mu, lattice_nu,& lattice_mu, lattice_nu,&
source=[(0.0_pReal,i=1,Nphases)]) source=[(0.0_pReal,i=1,Nphases)])
@ -517,22 +517,22 @@ subroutine lattice_init
! SHOULD NOT BE PART OF LATTICE BEGIN ! SHOULD NOT BE PART OF LATTICE BEGIN
lattice_thermalConductivity(1,1,p) = phase%get_asFloat('K_11',defaultVal=0.0_pReal) lattice_K(1,1,p) = phase%get_asFloat('K_11',defaultVal=0.0_pReal)
lattice_thermalConductivity(2,2,p) = phase%get_asFloat('K_22',defaultVal=0.0_pReal) lattice_K(2,2,p) = phase%get_asFloat('K_22',defaultVal=0.0_pReal)
lattice_thermalConductivity(3,3,p) = phase%get_asFloat('K_33',defaultVal=0.0_pReal) lattice_K(3,3,p) = phase%get_asFloat('K_33',defaultVal=0.0_pReal)
lattice_thermalConductivity(1:3,1:3,p) = lattice_applyLatticeSymmetry33(lattice_thermalConductivity(1:3,1:3,p), & lattice_K(1:3,1:3,p) = lattice_applyLatticeSymmetry33(lattice_K(1:3,1:3,p), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
lattice_specificHeat(p) = phase%get_asFloat('c_p',defaultVal=0.0_pReal) lattice_c_p(p) = phase%get_asFloat('c_p', defaultVal=0.0_pReal)
lattice_massDensity(p) = phase%get_asFloat('rho', defaultVal=0.0_pReal) lattice_rho(p) = phase%get_asFloat('rho', defaultVal=0.0_pReal)
lattice_DamageDiffusion(1,1,p) = phase%get_asFloat('D_11',defaultVal=0.0_pReal) lattice_D(1,1,p) = phase%get_asFloat('D_11',defaultVal=0.0_pReal)
lattice_DamageDiffusion(2,2,p) = phase%get_asFloat('D_22',defaultVal=0.0_pReal) lattice_D(2,2,p) = phase%get_asFloat('D_22',defaultVal=0.0_pReal)
lattice_DamageDiffusion(3,3,p) = phase%get_asFloat('D_33',defaultVal=0.0_pReal) lattice_D(3,3,p) = phase%get_asFloat('D_33',defaultVal=0.0_pReal)
lattice_DamageDiffusion(1:3,1:3,p) = lattice_applyLatticeSymmetry33(lattice_DamageDiffusion(1:3,1:3,p), & lattice_D(1:3,1:3,p) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,p), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
lattice_DamageMobility(p) = phase%get_asFloat('M',defaultVal=0.0_pReal) lattice_M(p) = phase%get_asFloat('M',defaultVal=0.0_pReal)
! SHOULD NOT BE PART OF LATTICE END ! SHOULD NOT BE PART OF LATTICE END
call selfTest call selfTest

38
src/source_damage_anisoBrittle.f90
View File

@ -12,11 +12,11 @@ submodule (constitutive:constitutive_damage) source_damage_anisoBrittle
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
sdot_0, & !< opening rate of cleavage planes dot_o, & !< opening rate of cleavage planes
n !< damage rate sensitivity q !< damage rate sensitivity
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
critDisp, & !< critical displacement s_crit, & !< critical displacement
critLoad !< critical load g_crit !< critical load
real(pReal), dimension(:,:,:,:), allocatable :: & real(pReal), dimension(:,:,:,:), allocatable :: &
cleavage_systems cleavage_systems
integer :: & integer :: &
@ -75,18 +75,18 @@ module function source_damage_anisoBrittle_init(source_length) result(mySources)
N_cl = src%get_asInts('N_cl',defaultVal=emptyIntArray) N_cl = src%get_asInts('N_cl',defaultVal=emptyIntArray)
prm%sum_N_cl = sum(abs(N_cl)) prm%sum_N_cl = sum(abs(N_cl))
prm%n = src%get_asFloat('q') prm%q = src%get_asFloat('q')
prm%sdot_0 = src%get_asFloat('dot_o') prm%dot_o = src%get_asFloat('dot_o')
prm%critDisp = src%get_asFloats('s_crit', requiredSize=size(N_cl)) prm%s_crit = src%get_asFloats('s_crit', requiredSize=size(N_cl))
prm%critLoad = src%get_asFloats('g_crit', requiredSize=size(N_cl)) prm%g_crit = src%get_asFloats('g_crit', requiredSize=size(N_cl))
prm%cleavage_systems = lattice_SchmidMatrix_cleavage(N_cl,phase%get_asString('lattice'),& prm%cleavage_systems = lattice_SchmidMatrix_cleavage(N_cl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal)) phase%get_asFloat('c/a',defaultVal=0.0_pReal))
! expand: family => system ! expand: family => system
prm%critDisp = math_expand(prm%critDisp,N_cl) prm%s_crit = math_expand(prm%s_crit,N_cl)
prm%critLoad = math_expand(prm%critLoad,N_cl) prm%g_crit = math_expand(prm%g_crit,N_cl)
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(src) prm%output = output_asStrings(src)
@ -95,10 +95,10 @@ module function source_damage_anisoBrittle_init(source_length) result(mySources)
#endif #endif
! sanity checks ! sanity checks
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' q' if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (prm%sdot_0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_o' if (prm%dot_o <= 0.0_pReal) extmsg = trim(extmsg)//' dot_o'
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit' if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
if (any(prm%critDisp < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit' if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0) call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
@ -152,14 +152,14 @@ module subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i)) traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i)) traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
traction_crit = prm%critLoad(i)*damage(homog)%p(damageOffset)**2.0_pReal traction_crit = prm%g_crit(i)*damage(homog)%p(damageOffset)**2.0_pReal
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & = sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
+ prm%sdot_0 / prm%critDisp(i) & + prm%dot_o / prm%s_crit(i) &
* ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%n + & * ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%n + & (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%n) (max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%q)
enddo enddo
end associate end associate

18
src/source_damage_anisoDuctile.f90
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@ -12,9 +12,9 @@ submodule(constitutive:constitutive_damage) source_damage_anisoDuctile
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
n !< damage rate sensitivity q !< damage rate sensitivity
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
critPlasticStrain !< critical plastic strain per slip system gamma_crit !< critical plastic strain per slip system
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
output output
end type tParameters end type tParameters
@ -67,12 +67,12 @@ module function source_damage_anisoDuctile_init(source_length) result(mySources)
associate(prm => param(source_damage_anisoDuctile_instance(p))) associate(prm => param(source_damage_anisoDuctile_instance(p)))
src => sources%get(sourceOffset) src => sources%get(sourceOffset)
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray) N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%n = src%get_asFloat('q') prm%q = src%get_asFloat('q')
prm%critPlasticStrain = src%get_asFloats('gamma_crit',requiredSize=size(N_sl)) prm%gamma_crit = src%get_asFloats('gamma_crit',requiredSize=size(N_sl))
! expand: family => system ! expand: family => system
prm%critPlasticStrain = math_expand(prm%critPlasticStrain,N_sl) prm%gamma_crit = math_expand(prm%gamma_crit,N_sl)
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(src) prm%output = output_asStrings(src)
@ -81,8 +81,8 @@ module function source_damage_anisoDuctile_init(source_length) result(mySources)
#endif #endif
! sanity checks ! sanity checks
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' q' if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (any(prm%critPlasticStrain < 0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit' if (any(prm%gamma_crit < 0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit'
NipcMyPhase=count(material_phaseAt==p) * discretization_nIP NipcMyPhase=count(material_phaseAt==p) * discretization_nIP
call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0) call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
@ -127,7 +127,7 @@ module subroutine source_damage_anisoDuctile_dotState(ipc, ip, el)
associate(prm => param(source_damage_anisoDuctile_instance(phase))) associate(prm => param(source_damage_anisoDuctile_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sum(plasticState(phase)%slipRate(:,constituent)/(damage(homog)%p(damageOffset)**prm%n)/prm%critPlasticStrain) = sum(plasticState(phase)%slipRate(:,constituent)/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit)
end associate end associate
end subroutine source_damage_anisoDuctile_dotState end subroutine source_damage_anisoDuctile_dotState

14
src/source_damage_isoDuctile.f90
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@ -12,8 +12,8 @@ submodule (constitutive:constitutive_damage) source_damage_isoDuctile
type:: tParameters !< container type for internal constitutive parameters type:: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
critPlasticStrain, & !< critical plastic strain gamma_crit, & !< critical plastic strain
N q
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
output output
end type tParameters end type tParameters
@ -64,8 +64,8 @@ module function source_damage_isoDuctile_init(source_length) result(mySources)
associate(prm => param(source_damage_isoDuctile_instance(p))) associate(prm => param(source_damage_isoDuctile_instance(p)))
src => sources%get(sourceOffset) src => sources%get(sourceOffset)
prm%N = src%get_asFloat('q') prm%q = src%get_asFloat('q')
prm%critPlasticStrain = src%get_asFloat('gamma_crit') prm%gamma_crit = src%get_asFloat('gamma_crit')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(src) prm%output = output_asStrings(src)
@ -74,8 +74,8 @@ module function source_damage_isoDuctile_init(source_length) result(mySources)
#endif #endif
! sanity checks ! sanity checks
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' q' if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (prm%critPlasticStrain <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit' if (prm%gamma_crit <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit'
NipcMyPhase=count(material_phaseAt==p) * discretization_nIP NipcMyPhase=count(material_phaseAt==p) * discretization_nIP
call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0) call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
@ -120,7 +120,7 @@ module subroutine source_damage_isoDuctile_dotState(ipc, ip, el)
associate(prm => param(source_damage_isoDuctile_instance(phase))) associate(prm => param(source_damage_isoDuctile_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = & sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%N)/prm%critPlasticStrain sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit
end associate end associate
end subroutine source_damage_isoDuctile_dotState end subroutine source_damage_isoDuctile_dotState

18
src/source_thermal_externalheat.f90
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@ -13,8 +13,8 @@ submodule(constitutive:constitutive_thermal) source_thermal_externalheat
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
time, & t_n, &
heat_rate f_T
integer :: & integer :: &
nIntervals nIntervals
end type tParameters end type tParameters
@ -64,10 +64,10 @@ module function source_thermal_externalheat_init(source_length) result(mySources
associate(prm => param(source_thermal_externalheat_instance(p))) associate(prm => param(source_thermal_externalheat_instance(p)))
src => sources%get(sourceOffset) src => sources%get(sourceOffset)
prm%time = src%get_asFloats('t_n') prm%t_n = src%get_asFloats('t_n')
prm%nIntervals = size(prm%time) - 1 prm%nIntervals = size(prm%t_n) - 1
prm%heat_rate = src%get_asFloats('f_T',requiredSize = size(prm%time)) prm%f_T = src%get_asFloats('f_T',requiredSize = size(prm%t_n))
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0) call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
@ -121,13 +121,13 @@ module subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_d
associate(prm => param(source_thermal_externalheat_instance(phase))) associate(prm => param(source_thermal_externalheat_instance(phase)))
do interval = 1, prm%nIntervals ! scan through all rate segments do interval = 1, prm%nIntervals ! scan through all rate segments
frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - prm%time(interval)) & frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - prm%t_n(interval)) &
/ (prm%time(interval+1) - prm%time(interval)) ! fractional time within segment / (prm%t_n(interval+1) - prm%t_n(interval)) ! fractional time within segment
if ( (frac_time < 0.0_pReal .and. interval == 1) & if ( (frac_time < 0.0_pReal .and. interval == 1) &
.or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) & .or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) &
.or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) & .or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) &
TDot = prm%heat_rate(interval ) * (1.0_pReal - frac_time) + & TDot = prm%f_T(interval ) * (1.0_pReal - frac_time) + &
prm%heat_rate(interval+1) * frac_time ! interpolate heat rate between segment boundaries... prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside of bounds ! ...or extrapolate if outside of bounds
enddo enddo
dTDot_dT = 0.0 dTDot_dT = 0.0

4
src/thermal_adiabatic.f90
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@ -169,7 +169,7 @@ function thermal_adiabatic_getSpecificHeat(ip,el)
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el)) do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_adiabatic_getSpecificHeat = thermal_adiabatic_getSpecificHeat & thermal_adiabatic_getSpecificHeat = thermal_adiabatic_getSpecificHeat &
+ lattice_specificHeat(material_phaseAt(grain,el)) + lattice_c_p(material_phaseAt(grain,el))
enddo enddo
thermal_adiabatic_getSpecificHeat = thermal_adiabatic_getSpecificHeat & thermal_adiabatic_getSpecificHeat = thermal_adiabatic_getSpecificHeat &
@ -195,7 +195,7 @@ function thermal_adiabatic_getMassDensity(ip,el)
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el)) do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_adiabatic_getMassDensity = thermal_adiabatic_getMassDensity & thermal_adiabatic_getMassDensity = thermal_adiabatic_getMassDensity &
+ lattice_massDensity(material_phaseAt(grain,el)) + lattice_rho(material_phaseAt(grain,el))
enddo enddo
thermal_adiabatic_getMassDensity = thermal_adiabatic_getMassDensity & thermal_adiabatic_getMassDensity = thermal_adiabatic_getMassDensity &

6
src/thermal_conduction.f90
View File

@ -127,7 +127,7 @@ function thermal_conduction_getConductivity(ip,el)
thermal_conduction_getConductivity = 0.0_pReal thermal_conduction_getConductivity = 0.0_pReal
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el)) do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_conduction_getConductivity = thermal_conduction_getConductivity + & thermal_conduction_getConductivity = thermal_conduction_getConductivity + &
crystallite_push33ToRef(grain,ip,el,lattice_thermalConductivity(:,:,material_phaseAt(grain,el))) crystallite_push33ToRef(grain,ip,el,lattice_K(:,:,material_phaseAt(grain,el)))
enddo enddo
thermal_conduction_getConductivity = thermal_conduction_getConductivity & thermal_conduction_getConductivity = thermal_conduction_getConductivity &
@ -153,7 +153,7 @@ function thermal_conduction_getSpecificHeat(ip,el)
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el)) do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat & thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat &
+ lattice_specificHeat(material_phaseAt(grain,el)) + lattice_c_p(material_phaseAt(grain,el))
enddo enddo
thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat & thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat &
@ -180,7 +180,7 @@ function thermal_conduction_getMassDensity(ip,el)
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el)) do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_conduction_getMassDensity = thermal_conduction_getMassDensity & thermal_conduction_getMassDensity = thermal_conduction_getMassDensity &
+ lattice_massDensity(material_phaseAt(grain,el)) + lattice_rho(material_phaseAt(grain,el))
enddo enddo
thermal_conduction_getMassDensity = thermal_conduction_getMassDensity & thermal_conduction_getMassDensity = thermal_conduction_getMassDensity &