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Merge branch '298-forest-projections' into 'development' 

Resolve "Forest projections"

Closes #298

See merge request damask/DAMASK!768
This commit is contained in:
Franz Roters 2023-06-27 15:33:57 +00:00
parent 55af0b7e1b 6e8c819da7
commit 5f82e975c8
5 changed files with 152 additions and 145 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 3ba790ed2d3d8d8cf66fa0ad7be7abe8f77c0d54 Subproject commit 6b0e09f1f31a2892c8e48c8ca688e8dfc05cd70a

1
examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml
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@ -12,6 +12,7 @@ output: [rho_dip, rho_mob]
N_sl: [12, 12] N_sl: [12, 12]
f_edge: [1.0, 1.0]
b_sl: [2.49e-10, 2.49e-10] b_sl: [2.49e-10, 2.49e-10]
rho_mob_0: [2.81e+12, 2.8e+12] rho_mob_0: [2.81e+12, 2.8e+12]
rho_dip_0: [1.0, 1.0] # not given rho_dip_0: [1.0, 1.0] # not given

2
examples/config/phase/mechanical/plastic/dislotwin_TWIP-TRIP.yaml
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@ -15,6 +15,8 @@ output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, f_tr]
# Glide # Glide
N_sl: [12] N_sl: [12]
f_edge: [1.0]
b_sl: [2.56e-10] # a/sqrt(2) b_sl: [2.56e-10] # a/sqrt(2)
Q_sl: [3.5e-19] Q_sl: [3.5e-19]
p_sl: [0.325] p_sl: [0.325]

91
src/phase_mechanical_plastic_dislotungsten.f90
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@ -83,13 +83,14 @@ module function plastic_dislotungsten_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity logical, dimension(:), allocatable :: myPlasticity
integer :: & integer :: &
ph, & ph, i, &
Nmembers, & Nmembers, &
sizeState, sizeDotState, & sizeState, sizeDotState, &
startIndex, endIndex startIndex, endIndex
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
N_sl N_sl
real(pREAL),dimension(:), allocatable :: & real(pREAL),dimension(:), allocatable :: &
f_edge, & !< edge character fraction of total dislocation density
rho_mob_0, & !< initial dislocation density rho_mob_0, & !< initial dislocation density
rho_dip_0, & !< initial dipole density rho_dip_0, & !< initial dipole density
a !< non-Schmid coefficients a !< non-Schmid coefficients
@ -123,14 +124,15 @@ module function plastic_dislotungsten_init() result(myPlasticity)
do ph = 1, phases%length do ph = 1, phases%length
if (.not. myPlasticity(ph)) cycle if (.not. myPlasticity(ph)) cycle
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), & associate(prm => param(ph), &
stt => state(ph), dst => dependentState(ph), &
idx_dot => indexDotState(ph)) idx_dot => indexDotState(ph))
phase => phases%get_dict(ph) phase => phases%get_dict(ph)
mech => phase%get_dict('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic') pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph) print'(/,1x,a,1x,i0,a)', 'phase',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3) refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs if (len(refs) > 0) print'(/,1x,a)', refs
@ -159,48 +161,36 @@ module function plastic_dislotungsten_init() result(myPlasticity)
prm%P_nS_neg = prm%P_sl prm%P_nS_neg = prm%P_sl
end if end if
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), & prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal=.false.)
phase_lattice(ph))
prm%forestProjection = lattice_forestProjection_edge(N_sl,phase_lattice(ph),&
phase_cOverA(ph))
prm%forestProjection = transpose(prm%forestProjection)
rho_mob_0 = pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_as1dReal('b_sl', requiredSize=size(N_sl))
prm%Q_s = pl%get_as1dReal('Q_s', requiredSize=size(N_sl))
prm%i_sl = pl%get_as1dReal('i_sl', requiredSize=size(N_sl))
prm%tau_Peierls = pl%get_as1dReal('tau_Peierls', requiredSize=size(N_sl))
prm%p = pl%get_as1dReal('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_as1dReal('q_sl', requiredSize=size(N_sl))
prm%h = pl%get_as1dReal('h', requiredSize=size(N_sl))
prm%w = pl%get_as1dReal('w', requiredSize=size(N_sl))
prm%omega = pl%get_as1dReal('omega', requiredSize=size(N_sl))
prm%B = pl%get_as1dReal('B', requiredSize=size(N_sl))
prm%D = pl%get_asReal('D') prm%D = pl%get_asReal('D')
prm%D_0 = pl%get_asReal('D_0') prm%D_0 = pl%get_asReal('D_0')
prm%Q_cl = pl%get_asReal('Q_cl') prm%Q_cl = pl%get_asReal('Q_cl')
prm%f_at = pl%get_asReal('f_at') * prm%b_sl**3
prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal = .false.) f_edge = math_expand(pl%get_as1dReal('f_edge', requiredSize=size(N_sl), &
defaultVal=[(0.5_pREAL, i=1,size(N_sl))]),N_sl)
rho_mob_0 = math_expand(pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl)),N_sl)
rho_dip_0 = math_expand(pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl)),N_sl)
prm%b_sl = math_expand(pl%get_as1dReal('b_sl', requiredSize=size(N_sl)),N_sl)
prm%Q_s = math_expand(pl%get_as1dReal('Q_s', requiredSize=size(N_sl)),N_sl)
prm%i_sl = math_expand(pl%get_as1dReal('i_sl', requiredSize=size(N_sl)),N_sl)
prm%tau_Peierls = math_expand(pl%get_as1dReal('tau_Peierls', requiredSize=size(N_sl)),N_sl)
prm%p = math_expand(pl%get_as1dReal('p_sl', requiredSize=size(N_sl)),N_sl)
prm%q = math_expand(pl%get_as1dReal('q_sl', requiredSize=size(N_sl)),N_sl)
prm%h = math_expand(pl%get_as1dReal('h', requiredSize=size(N_sl)),N_sl)
prm%w = math_expand(pl%get_as1dReal('w', requiredSize=size(N_sl)),N_sl)
prm%omega = math_expand(pl%get_as1dReal('omega', requiredSize=size(N_sl)),N_sl)
prm%B = math_expand(pl%get_as1dReal('B', requiredSize=size(N_sl)),N_sl)
prm%d_caron = prm%b_sl * pl%get_asReal('D_a')
prm%f_at = prm%b_sl**3*pl%get_asReal('f_at')
! expand: family => system prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
rho_mob_0 = math_expand(rho_mob_0, N_sl) phase_lattice(ph))
rho_dip_0 = math_expand(rho_dip_0, N_sl)
prm%q = math_expand(prm%q, N_sl) prm%forestProjection = spread( f_edge,1,prm%sum_N_sl) &
prm%p = math_expand(prm%p, N_sl) * lattice_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
prm%Q_s = math_expand(prm%Q_s, N_sl) + spread(1.0_pREAL-f_edge,1,prm%sum_N_sl) &
prm%b_sl = math_expand(prm%b_sl, N_sl) * lattice_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
prm%h = math_expand(prm%h, N_sl)
prm%w = math_expand(prm%w, N_sl)
prm%omega = math_expand(prm%omega, N_sl)
prm%tau_Peierls = math_expand(prm%tau_Peierls, N_sl)
prm%B = math_expand(prm%B, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl)
prm%f_at = math_expand(prm%f_at, N_sl)
prm%d_caron = pl%get_asReal('D_a') * prm%b_sl
! sanity checks ! sanity checks
if ( prm%D_0 < 0.0_pREAL) extmsg = trim(extmsg)//' D_0' if ( prm%D_0 < 0.0_pREAL) extmsg = trim(extmsg)//' D_0'
@ -215,9 +205,20 @@ module function plastic_dislotungsten_init() result(myPlasticity)
if (any(prm%f_at <= 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
allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, & rho_dip_0 = emptyRealArray
prm%Q_s,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, & allocate(prm%b_sl, &
prm%d_caron, &
prm%i_sl, &
prm%f_at, &
prm%tau_Peierls, &
prm%Q_s, &
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))
@ -238,7 +239,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
endIndex = prm%sum_N_sl endIndex = prm%sum_N_sl
idx_dot%rho_mob = [startIndex,endIndex] idx_dot%rho_mob = [startIndex,endIndex]
stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:) stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_mob = spread(rho_mob_0,2,Nmembers) stt%rho_mob = spread(rho_mob_0,2,Nmembers)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho'
@ -246,7 +247,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
idx_dot%rho_dip = [startIndex,endIndex] idx_dot%rho_dip = [startIndex,endIndex]
stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:) stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_dip = spread(rho_dip_0,2,Nmembers) stt%rho_dip = spread(rho_dip_0,2,Nmembers)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
startIndex = endIndex + 1 startIndex = endIndex + 1
@ -257,7 +258,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pREAL) allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pREAL)
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers), source=0.0_pREAL) allocate(dst%tau_pass (prm%sum_N_sl,Nmembers), source=0.0_pREAL)
end associate end associate

201
src/phase_mechanical_plastic_dislotwin.f90
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@ -34,15 +34,15 @@ submodule(phase:plastic) dislotwin
Gamma_sf, & !< stacking fault energy Gamma_sf, & !< stacking fault energy
Delta_G !< free energy difference between austensite and martensite Delta_G !< free energy difference between austensite and martensite
real(pREAL), allocatable, dimension(:) :: & real(pREAL), allocatable, dimension(:) :: &
b_sl, & !< absolute length of Burgers vector [m] for each slip system b_sl, & !< magnitude of Burgers vector (m) for each slip system
b_tw, & !< absolute length of Burgers vector [m] for each twin system b_tw, & !< magnitude of Burgers vector (m) for each twin system
b_tr, & !< absolute length of Burgers vector [m] for each transformation system b_tr, & !< magnitude of Burgers vector (m) for each transformation system
Q_sl,& !< activation energy for glide [J] for each slip system Q_sl,& !< activation energy for glide (J) for each slip system
v_0, & !< dislocation velocity prefactor [m/s] for each slip system v_0, & !< dislocation velocity prefactor (m/s) for each slip system
dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system dot_N_0_tw, & !< twin nucleation rate (1/m³s) for each twin system
t_tw, & !< twin thickness [m] for each twin system t_tw, & !< twin thickness (m) for each twin system
i_sl, & !< 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 t_tr, & !< martensite lamellar thickness (m) for each trans system
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
r, & !< exponent in twin nucleation rate r, & !< exponent in twin nucleation rate
@ -67,15 +67,15 @@ submodule(phase:plastic) dislotwin
sum_N_sl, & !< total number of active slip systems sum_N_sl, & !< total number of active slip systems
sum_N_tw, & !< total number of active twin systems sum_N_tw, & !< total number of active twin systems
sum_N_tr !< total number of active transformation systems sum_N_tr !< total number of active transformation systems
integer, allocatable, dimension(:) :: & integer, allocatable, dimension(:) :: &
N_tw, & N_tw, &
N_tr N_tr
integer, allocatable, dimension(:,:) :: & integer, allocatable, dimension(:,:) :: &
fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans fcc_twinNucleationSlipPair ! ToDo: Better name? Is also used for trans
character(len=:), allocatable :: & character(len=:), allocatable :: &
lattice_tr, & lattice_tr, &
isotropic_bound isotropic_bound
character(len=pSTRLEN), allocatable, dimension(:) :: & character(len=pSTRLEN), allocatable, dimension(:) :: &
output output
logical :: & logical :: &
extendedDislocations, & !< consider split into partials for climb calculation extendedDislocations, & !< consider split into partials for climb calculation
@ -138,6 +138,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
N_sl N_sl
real(pREAL) :: a_cF real(pREAL) :: a_cF
real(pREAL), allocatable, dimension(:) :: & real(pREAL), allocatable, dimension(:) :: &
f_edge, & !< edge character fraction of total dislocation density
rho_mob_0, & !< initial unipolar dislocation density per slip system rho_mob_0, & !< initial unipolar dislocation density per slip system
rho_dip_0 !< initial dipole dislocation density per slip system rho_dip_0 !< initial dipole dislocation density per slip system
character(len=:), allocatable :: & character(len=:), allocatable :: &
@ -176,14 +177,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
do ph = 1, phases%length do ph = 1, phases%length
if (.not. myPlasticity(ph)) cycle if (.not. myPlasticity(ph)) cycle
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), & associate(prm => param(ph), &
stt => state(ph), dst => dependentState(ph), &
idx_dot => indexDotState(ph)) idx_dot => indexDotState(ph))
phase => phases%get_dict(ph) phase => phases%get_dict(ph)
mech => phase%get_dict('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic') pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph) print'(/,1x,a,1x,i0,a)', 'phase',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3) refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs if (len(refs) > 0) print'(/,1x,a)', refs
@ -201,66 +203,70 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%sum_N_sl = sum(abs(N_sl)) prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph)) prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal=.false.)
prm%omitDipoles = pl%get_asBool('omit_dipoles', defaultVal=.false.)
prm%Q_cl = pl%get_asReal('Q_cl')
f_edge = math_expand(pl%get_as1dReal('f_edge', requiredSize=size(N_sl), &
defaultVal=[(0.5_pREAL,i=1,size(N_sl))]),N_sl)
rho_mob_0 = math_expand(pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl)),N_sl)
rho_dip_0 = math_expand(pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl)),N_sl)
prm%v_0 = math_expand(pl%get_as1dReal('v_0', requiredSize=size(N_sl)),N_sl)
prm%b_sl = math_expand(pl%get_as1dReal('b_sl', requiredSize=size(N_sl)),N_sl)
prm%Q_sl = math_expand(pl%get_as1dReal('Q_sl', requiredSize=size(N_sl)),N_sl)
prm%i_sl = math_expand(pl%get_as1dReal('i_sl', requiredSize=size(N_sl)),N_sl)
prm%p = math_expand(pl%get_as1dReal('p_sl', requiredSize=size(N_sl)),N_sl)
prm%q = math_expand(pl%get_as1dReal('q_sl', requiredSize=size(N_sl)),N_sl)
prm%tau_0 = math_expand(pl%get_as1dReal('tau_0', requiredSize=size(N_sl)),N_sl)
prm%B = math_expand(pl%get_as1dReal('B', requiredSize=size(N_sl), &
defaultVal=[(0.0_pREAL,i=1,size(N_sl))]),N_sl)
prm%d_caron = prm%b_sl * pl%get_asReal('D_a')
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph)) prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
prm%forestProjection = lattice_forestProjection_edge(N_sl,phase_lattice(ph),phase_cOverA(ph))
prm%forestProjection = transpose(prm%forestProjection)
prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%forestProjection = spread( f_edge,1,prm%sum_N_sl) &
prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. (N_sl(1) == 12) * lattice_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
+ spread(1.0_pREAL-f_edge,1,prm%sum_N_sl) &
* lattice_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. N_sl(1) == 12
if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_CF_TWINNUCLEATIONSLIPPAIR if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_CF_TWINNUCLEATIONSLIPPAIR
rho_mob_0 = pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl))
prm%v_0 = pl%get_as1dReal('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_as1dReal('b_sl', requiredSize=size(N_sl))
prm%Q_sl = pl%get_as1dReal('Q_sl', requiredSize=size(N_sl))
prm%i_sl = pl%get_as1dReal('i_sl', requiredSize=size(N_sl))
prm%p = pl%get_as1dReal('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_as1dReal('q_sl', requiredSize=size(N_sl))
prm%tau_0 = pl%get_as1dReal('tau_0', requiredSize=size(N_sl))
prm%B = pl%get_as1dReal('B', requiredSize=size(N_sl), &
defaultVal=[(0.0_pREAL, i=1,size(N_sl))])
prm%Q_cl = pl%get_asReal('Q_cl')
prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.)
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex) ! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 ! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
prm%omega = pl%get_asReal('omega', defaultVal = 1000.0_pREAL) & prm%omega = pl%get_asReal('omega', defaultVal=1000.0_pREAL) &
* merge(12.0_pREAL,8.0_pREAL,any(phase_lattice(ph) == ['cF','hP'])) * merge(12.0_pREAL,8.0_pREAL,any(phase_lattice(ph) == ['cF','hP']))
! expand: family => system
rho_mob_0 = math_expand(rho_mob_0, N_sl)
rho_dip_0 = math_expand(rho_dip_0, N_sl)
prm%v_0 = math_expand(prm%v_0, N_sl)
prm%b_sl = math_expand(prm%b_sl, N_sl)
prm%Q_sl = math_expand(prm%Q_sl, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl)
prm%p = math_expand(prm%p, N_sl)
prm%q = math_expand(prm%q, N_sl)
prm%tau_0 = math_expand(prm%tau_0, N_sl)
prm%B = math_expand(prm%B, N_sl)
prm%d_caron = pl%get_asReal('D_a') * prm%b_sl
! sanity checks ! sanity checks
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%v_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' v_0' if (any(prm%v_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' v_0'
if (any(prm%b_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' b_sl' if (any(prm%b_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Q_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' Q_sl' if (any(prm%Q_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' Q_sl'
if (any(prm%i_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' i_sl' if (any(prm%i_sl <= 0.0_pREAL)) extmsg = trim(extmsg)//' i_sl'
if (any(prm%B < 0.0_pREAL)) extmsg = trim(extmsg)//' B' if (any(prm%B < 0.0_pREAL)) extmsg = trim(extmsg)//' B'
if (any(prm%d_caron < 0.0_pREAL)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)' if (any(prm%d_caron < 0.0_pREAL)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
if (any(prm%p<=0.0_pREAL .or. prm%p>1.0_pREAL)) extmsg = trim(extmsg)//' p_sl' if (any(prm%p<=0.0_pREAL .or. prm%p>1.0_pREAL)) extmsg = trim(extmsg)//' p_sl'
if (any(prm%q< 1.0_pREAL .or. prm%q>2.0_pREAL)) extmsg = trim(extmsg)//' q_sl' if (any(prm%q< 1.0_pREAL .or. prm%q>2.0_pREAL)) extmsg = trim(extmsg)//' q_sl'
else slipActive else slipActive
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray rho_mob_0 = emptyRealArray
allocate(prm%b_sl,prm%Q_sl,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray) rho_dip_0 = emptyRealArray
allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0)) allocate(prm%v_0, &
prm%b_sl, &
prm%Q_sl, &
prm%i_sl, &
prm%p, &
prm%q, &
prm%tau_0, &
prm%B, &
source=emptyRealArray)
allocate(prm%forestProjection(0,0), &
prm%h_sl_sl(0,0)) ! PE: What about P_sl and systems_sl?
end if slipActive end if slipActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -268,24 +274,19 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray) prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(prm%N_tw)) prm%sum_N_tw = sum(abs(prm%N_tw))
twinActive: if (prm%sum_N_tw > 0) then twinActive: if (prm%sum_N_tw > 0) then
prm%systems_tw = lattice_labels_twin(prm%N_tw,phase_lattice(ph)) prm%systems_tw = lattice_labels_twin(prm%N_tw,phase_lattice(ph))
prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph)) prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,pl%get_as1dReal('h_tw-tw'), &
phase_lattice(ph))
prm%b_tw = pl%get_as1dReal('b_tw', requiredSize=size(prm%N_tw))
prm%t_tw = pl%get_as1dReal('t_tw', requiredSize=size(prm%N_tw))
prm%r = pl%get_as1dReal('p_tw', requiredSize=size(prm%N_tw))
prm%L_tw = pl%get_asReal('L_tw')
prm%i_tw = pl%get_asReal('i_tw')
prm%gamma_char_tw = lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph)) prm%gamma_char_tw = lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
! expand: family => system prm%L_tw = pl%get_asReal('L_tw')
prm%b_tw = math_expand(prm%b_tw,prm%N_tw) prm%i_tw = pl%get_asReal('i_tw')
prm%t_tw = math_expand(prm%t_tw,prm%N_tw)
prm%r = math_expand(prm%r,prm%N_tw) prm%b_tw = math_expand(pl%get_as1dReal('b_tw', requiredSize=size(prm%N_tw)),prm%N_tw)
prm%t_tw = math_expand(pl%get_as1dReal('t_tw', requiredSize=size(prm%N_tw)),prm%N_tw)
prm%r = math_expand(pl%get_as1dReal('p_tw', requiredSize=size(prm%N_tw)),prm%N_tw)
prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,pl%get_as1dReal('h_tw-tw'), &
phase_lattice(ph))
! sanity checks ! sanity checks
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TWIP for non-fcc' if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TWIP for non-fcc'
@ -295,7 +296,11 @@ module function plastic_dislotwin_init() result(myPlasticity)
if (any(prm%t_tw < 0.0_pREAL)) extmsg = trim(extmsg)//' t_tw' if (any(prm%t_tw < 0.0_pREAL)) extmsg = trim(extmsg)//' t_tw'
if (any(prm%r < 0.0_pREAL)) extmsg = trim(extmsg)//' p_tw' if (any(prm%r < 0.0_pREAL)) extmsg = trim(extmsg)//' p_tw'
else twinActive else twinActive
allocate(prm%gamma_char_tw,prm%b_tw,prm%t_tw,prm%r,source=emptyRealArray) allocate(prm%gamma_char_tw, &
prm%b_tw, &
prm%t_tw, &
prm%r, &
source=emptyRealArray)
allocate(prm%h_tw_tw(0,0)) allocate(prm%h_tw_tw(0,0))
end if twinActive end if twinActive
@ -304,26 +309,24 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray) prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray)
prm%sum_N_tr = sum(abs(prm%N_tr)) prm%sum_N_tr = sum(abs(prm%N_tr))
transActive: if (prm%sum_N_tr > 0) then transActive: if (prm%sum_N_tr > 0) then
prm%b_tr = pl%get_as1dReal('b_tr') prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr,'hP',prm%cOverA_hP)
prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
prm%Delta_G = polynomial(pl,'Delta_G','T')
prm%i_tr = pl%get_asReal('i_tr')
prm%L_tr = pl%get_asReal('L_tr')
prm%cOverA_hP = pl%get_asReal('c/a_hP')
prm%V_mol = pl%get_asReal('V_mol')
prm%b_tr = math_expand(pl%get_as1dReal('b_tr'),prm%N_tr)
prm%t_tr = math_expand(pl%get_as1dReal('t_tr'),prm%N_tr)
prm%s = math_expand(pl%get_as1dReal('p_tr'),prm%N_tr)
prm%i_tr = pl%get_asReal('i_tr')
prm%Delta_G = polynomial(pl,'Delta_G','T')
prm%L_tr = pl%get_asReal('L_tr')
a_cF = prm%b_tr(1)*sqrt(6.0_pREAL) ! b_tr is Shockley partial a_cF = prm%b_tr(1)*sqrt(6.0_pREAL) ! b_tr is Shockley partial
prm%h = 5.0_pREAL * a_cF/sqrt(3.0_pREAL) prm%h = 5.0_pREAL * a_cF/sqrt(3.0_pREAL)
prm%cOverA_hP = pl%get_asReal('c/a_hP')
prm%rho = 4.0_pREAL/(sqrt(3.0_pREAL)*a_cF**2)/N_A prm%rho = 4.0_pREAL/(sqrt(3.0_pREAL)*a_cF**2)/N_A
prm%V_mol = pl%get_asReal('V_mol')
prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dReal('h_tr-tr'),& prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dReal('h_tr-tr'),&
phase_lattice(ph)) phase_lattice(ph))
prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr,'hP',prm%cOverA_hP)
prm%t_tr = pl%get_as1dReal('t_tr')
prm%t_tr = math_expand(prm%t_tr,prm%N_tr)
prm%s = pl%get_as1dReal('p_tr')
prm%s = math_expand(prm%s,prm%N_tr)
! sanity checks ! sanity checks
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TRIP for non-fcc' if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TRIP for non-fcc'
@ -341,10 +344,10 @@ module function plastic_dislotwin_init() result(myPlasticity)
! shearband related parameters ! shearband related parameters
prm%gamma_0_sb = pl%get_asReal('gamma_0_sb',defaultVal=0.0_pREAL) prm%gamma_0_sb = pl%get_asReal('gamma_0_sb',defaultVal=0.0_pREAL)
if (prm%gamma_0_sb > 0.0_pREAL) then if (prm%gamma_0_sb > 0.0_pREAL) then
prm%tau_sb = pl%get_asReal('tau_sb') prm%tau_sb = pl%get_asReal('tau_sb')
prm%E_sb = pl%get_asReal('Q_sb') prm%E_sb = pl%get_asReal('Q_sb')
prm%p_sb = pl%get_asReal('p_sb') prm%p_sb = pl%get_asReal('p_sb')
prm%q_sb = pl%get_asReal('q_sb') prm%q_sb = pl%get_asReal('q_sb')
! sanity checks ! sanity checks
if (prm%tau_sb < 0.0_pREAL) extmsg = trim(extmsg)//' tau_sb' if (prm%tau_sb < 0.0_pREAL) extmsg = trim(extmsg)//' tau_sb'
@ -356,7 +359,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! parameters required for several mechanisms and their interactions ! parameters required for several mechanisms and their interactions
if (prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) & if (prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
prm%D = pl%get_asReal('D') prm%D = pl%get_asReal('D')
if (prm%sum_N_tw + prm%sum_N_tr > 0) then if (prm%sum_N_tw + prm%sum_N_tr > 0) then
prm%x_c = pl%get_asReal('x_c') prm%x_c = pl%get_asReal('x_c')
@ -400,36 +403,36 @@ module function plastic_dislotwin_init() result(myPlasticity)
startIndex = 1 startIndex = 1
endIndex = prm%sum_N_sl endIndex = prm%sum_N_sl
idx_dot%rho_mob = [startIndex,endIndex] idx_dot%rho_mob = [startIndex,endIndex]
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:) stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_mob= spread(rho_mob_0,2,Nmembers) stt%rho_mob = spread(rho_mob_0,2,Nmembers)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho'
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
idx_dot%rho_dip = [startIndex,endIndex] idx_dot%rho_dip = [startIndex,endIndex]
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:) stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_dip= spread(rho_dip_0,2,Nmembers) stt%rho_dip = spread(rho_dip_0,2,Nmembers)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
idx_dot%gamma_sl = [startIndex,endIndex] idx_dot%gamma_sl = [startIndex,endIndex]
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:) stt%gamma_sl => plasticState(ph)%state(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_gamma',defaultVal=1.0e-6_pREAL)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw endIndex = endIndex + prm%sum_N_tw
idx_dot%f_tw = [startIndex,endIndex] idx_dot%f_tw = [startIndex,endIndex]
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:) stt%f_tw => plasticState(ph)%state(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tw',defaultVal=1.0e-6_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tw',defaultVal=1.0e-6_pREAL)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_f_tw' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_f_tw'
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr endIndex = endIndex + prm%sum_N_tr
idx_dot%f_tr = [startIndex,endIndex] idx_dot%f_tr = [startIndex,endIndex]
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:) stt%f_tr => plasticState(ph)%state(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tr',defaultVal=1.0e-6_pREAL) plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_f_tr',defaultVal=1.0e-6_pREAL)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_f_tr' if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_f_tr'
@ -478,7 +481,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
twinActive: if (prm%sum_N_tw > 0) then twinActive: if (prm%sum_N_tw > 0) then
C66_tw = lattice_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph)) C66_tw = lattice_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph))
do i=1,prm%sum_N_tw do i = 1, prm%sum_N_tw
homogenizedC = homogenizedC & homogenizedC = homogenizedC &
+ stt%f_tw(i,en)*C66_tw(1:6,1:6,i) + stt%f_tw(i,en)*C66_tw(1:6,1:6,i)
end do end do
@ -486,7 +489,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
transActive: if (prm%sum_N_tr > 0) then transActive: if (prm%sum_N_tr > 0) then
C66_tr = lattice_C66_trans(prm%N_tr,C,'hP',prm%cOverA_hP) C66_tr = lattice_C66_trans(prm%N_tr,C,'hP',prm%cOverA_hP)
do i=1,prm%sum_N_tr do i = 1, prm%sum_N_tr
homogenizedC = homogenizedC & homogenizedC = homogenizedC &
+ stt%f_tr(i,en)*C66_tr(1:6,1:6,i) + stt%f_tr(i,en)*C66_tr(1:6,1:6,i)
end do end do