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
commit
5f82e975c8
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 3ba790ed2d3d8d8cf66fa0ad7be7abe8f77c0d54
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Subproject commit 6b0e09f1f31a2892c8e48c8ca688e8dfc05cd70a
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@ -12,6 +12,7 @@ output: [rho_dip, rho_mob]
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N_sl: [12, 12]
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f_edge: [1.0, 1.0]
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b_sl: [2.49e-10, 2.49e-10]
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rho_mob_0: [2.81e+12, 2.8e+12]
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rho_dip_0: [1.0, 1.0] # not given
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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]
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# Glide
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N_sl: [12]
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f_edge: [1.0]
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b_sl: [2.56e-10] # a/sqrt(2)
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Q_sl: [3.5e-19]
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p_sl: [0.325]
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@ -83,13 +83,14 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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logical, dimension(:), allocatable :: myPlasticity
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integer :: &
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ph, &
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ph, i, &
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Nmembers, &
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sizeState, sizeDotState, &
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startIndex, endIndex
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integer, dimension(:), allocatable :: &
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N_sl
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real(pREAL),dimension(:), allocatable :: &
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f_edge, & !< edge character fraction of total dislocation density
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rho_mob_0, & !< initial dislocation density
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rho_dip_0, & !< initial dipole density
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a !< non-Schmid coefficients
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@ -123,14 +124,15 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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do ph = 1, phases%length
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if (.not. myPlasticity(ph)) cycle
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
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associate(prm => param(ph), &
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stt => state(ph), dst => dependentState(ph), &
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idx_dot => indexDotState(ph))
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phase => phases%get_dict(ph)
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mech => phase%get_dict('mechanical')
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pl => mech%get_dict('plastic')
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print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
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print'(/,1x,a,1x,i0,a)', 'phase',ph,': '//phases%key(ph)
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refs = config_listReferences(pl,indent=3)
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if (len(refs) > 0) print'(/,1x,a)', refs
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@ -159,48 +161,36 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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prm%P_nS_neg = prm%P_sl
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end if
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prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
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phase_lattice(ph))
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prm%forestProjection = lattice_forestProjection_edge(N_sl,phase_lattice(ph),&
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phase_cOverA(ph))
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prm%forestProjection = transpose(prm%forestProjection)
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rho_mob_0 = pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl))
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rho_dip_0 = pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl))
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prm%b_sl = pl%get_as1dReal('b_sl', requiredSize=size(N_sl))
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prm%Q_s = pl%get_as1dReal('Q_s', requiredSize=size(N_sl))
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prm%i_sl = pl%get_as1dReal('i_sl', requiredSize=size(N_sl))
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prm%tau_Peierls = pl%get_as1dReal('tau_Peierls', requiredSize=size(N_sl))
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prm%p = pl%get_as1dReal('p_sl', requiredSize=size(N_sl))
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prm%q = pl%get_as1dReal('q_sl', requiredSize=size(N_sl))
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prm%h = pl%get_as1dReal('h', requiredSize=size(N_sl))
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prm%w = pl%get_as1dReal('w', requiredSize=size(N_sl))
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prm%omega = pl%get_as1dReal('omega', requiredSize=size(N_sl))
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prm%B = pl%get_as1dReal('B', requiredSize=size(N_sl))
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prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal=.false.)
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prm%D = pl%get_asReal('D')
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prm%D_0 = pl%get_asReal('D_0')
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prm%Q_cl = pl%get_asReal('Q_cl')
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prm%f_at = pl%get_asReal('f_at') * prm%b_sl**3
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prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation', defaultVal = .false.)
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f_edge = math_expand(pl%get_as1dReal('f_edge', requiredSize=size(N_sl), &
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defaultVal=[(0.5_pREAL, i=1,size(N_sl))]),N_sl)
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rho_mob_0 = math_expand(pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl)),N_sl)
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rho_dip_0 = math_expand(pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl)),N_sl)
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prm%b_sl = math_expand(pl%get_as1dReal('b_sl', requiredSize=size(N_sl)),N_sl)
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prm%Q_s = math_expand(pl%get_as1dReal('Q_s', requiredSize=size(N_sl)),N_sl)
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prm%i_sl = math_expand(pl%get_as1dReal('i_sl', requiredSize=size(N_sl)),N_sl)
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prm%tau_Peierls = math_expand(pl%get_as1dReal('tau_Peierls', requiredSize=size(N_sl)),N_sl)
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prm%p = math_expand(pl%get_as1dReal('p_sl', requiredSize=size(N_sl)),N_sl)
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prm%q = math_expand(pl%get_as1dReal('q_sl', requiredSize=size(N_sl)),N_sl)
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prm%h = math_expand(pl%get_as1dReal('h', requiredSize=size(N_sl)),N_sl)
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prm%w = math_expand(pl%get_as1dReal('w', requiredSize=size(N_sl)),N_sl)
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prm%omega = math_expand(pl%get_as1dReal('omega', requiredSize=size(N_sl)),N_sl)
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prm%B = math_expand(pl%get_as1dReal('B', requiredSize=size(N_sl)),N_sl)
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prm%d_caron = prm%b_sl * pl%get_asReal('D_a')
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prm%f_at = prm%b_sl**3*pl%get_asReal('f_at')
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! expand: family => system
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rho_mob_0 = math_expand(rho_mob_0, N_sl)
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rho_dip_0 = math_expand(rho_dip_0, N_sl)
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prm%q = math_expand(prm%q, N_sl)
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prm%p = math_expand(prm%p, N_sl)
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prm%Q_s = math_expand(prm%Q_s, N_sl)
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prm%b_sl = math_expand(prm%b_sl, N_sl)
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prm%h = math_expand(prm%h, N_sl)
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prm%w = math_expand(prm%w, N_sl)
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prm%omega = math_expand(prm%omega, N_sl)
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prm%tau_Peierls = math_expand(prm%tau_Peierls, N_sl)
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prm%B = math_expand(prm%B, N_sl)
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prm%i_sl = math_expand(prm%i_sl, N_sl)
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prm%f_at = math_expand(prm%f_at, N_sl)
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prm%d_caron = pl%get_asReal('D_a') * prm%b_sl
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prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'), &
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phase_lattice(ph))
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prm%forestProjection = spread( f_edge,1,prm%sum_N_sl) &
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* lattice_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
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+ spread(1.0_pREAL-f_edge,1,prm%sum_N_sl) &
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* lattice_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
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! sanity checks
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if ( prm%D_0 < 0.0_pREAL) extmsg = trim(extmsg)//' D_0'
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@ -215,9 +205,20 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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if (any(prm%f_at <= 0.0_pREAL)) extmsg = trim(extmsg)//' f_at or b_sl'
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else slipActive
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rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
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allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, &
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prm%Q_s,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
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rho_mob_0 = emptyRealArray
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rho_dip_0 = emptyRealArray
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allocate(prm%b_sl, &
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prm%d_caron, &
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prm%i_sl, &
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prm%f_at, &
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prm%tau_Peierls, &
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prm%Q_s, &
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prm%p, &
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prm%q, &
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prm%B, &
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prm%h, &
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prm%w, &
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prm%omega, &
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source = emptyRealArray)
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allocate(prm%forestProjection(0,0))
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allocate(prm%h_sl_sl (0,0))
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@ -238,7 +239,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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endIndex = prm%sum_N_sl
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idx_dot%rho_mob = [startIndex,endIndex]
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stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
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stt%rho_mob = spread(rho_mob_0,2,Nmembers)
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stt%rho_mob = spread(rho_mob_0,2,Nmembers)
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
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if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_rho'
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@ -246,7 +247,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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endIndex = endIndex + prm%sum_N_sl
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idx_dot%rho_dip = [startIndex,endIndex]
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stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
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stt%rho_dip = spread(rho_dip_0,2,Nmembers)
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stt%rho_dip = spread(rho_dip_0,2,Nmembers)
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
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startIndex = endIndex + 1
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@ -257,7 +258,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
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if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pREAL)) extmsg = trim(extmsg)//' atol_gamma'
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allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pREAL)
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allocate(dst%tau_pass(prm%sum_N_sl,Nmembers), source=0.0_pREAL)
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allocate(dst%tau_pass (prm%sum_N_sl,Nmembers), source=0.0_pREAL)
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end associate
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@ -34,15 +34,15 @@ submodule(phase:plastic) dislotwin
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Gamma_sf, & !< stacking fault energy
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Delta_G !< free energy difference between austensite and martensite
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real(pREAL), allocatable, dimension(:) :: &
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b_sl, & !< absolute length of Burgers vector [m] for each slip system
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b_tw, & !< absolute length of Burgers vector [m] for each twin system
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b_tr, & !< absolute length of Burgers vector [m] for each transformation system
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Q_sl,& !< activation energy for glide [J] for each slip system
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v_0, & !< dislocation velocity prefactor [m/s] for each slip system
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dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system
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t_tw, & !< twin thickness [m] for each twin system
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b_sl, & !< magnitude of Burgers vector (m) for each slip system
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b_tw, & !< magnitude of Burgers vector (m) for each twin system
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b_tr, & !< magnitude of Burgers vector (m) for each transformation system
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Q_sl,& !< activation energy for glide (J) for each slip system
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v_0, & !< dislocation velocity prefactor (m/s) for each slip system
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dot_N_0_tw, & !< twin nucleation rate (1/m³s) for each twin system
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t_tw, & !< twin thickness (m) for each twin system
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i_sl, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
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t_tr, & !< martensite lamellar thickness [m] for each trans system
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t_tr, & !< martensite lamellar thickness (m) for each trans system
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p, & !< p-exponent in glide velocity
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q, & !< q-exponent in glide velocity
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r, & !< exponent in twin nucleation rate
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@ -67,15 +67,15 @@ submodule(phase:plastic) dislotwin
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sum_N_sl, & !< total number of active slip systems
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sum_N_tw, & !< total number of active twin systems
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sum_N_tr !< total number of active transformation systems
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integer, allocatable, dimension(:) :: &
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integer, allocatable, dimension(:) :: &
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N_tw, &
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N_tr
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integer, allocatable, dimension(:,:) :: &
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fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans
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character(len=:), allocatable :: &
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fcc_twinNucleationSlipPair ! ToDo: Better name? Is also used for trans
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character(len=:), allocatable :: &
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lattice_tr, &
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isotropic_bound
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character(len=pSTRLEN), allocatable, dimension(:) :: &
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character(len=pSTRLEN), allocatable, dimension(:) :: &
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output
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logical :: &
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extendedDislocations, & !< consider split into partials for climb calculation
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@ -138,6 +138,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
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N_sl
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real(pREAL) :: a_cF
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real(pREAL), allocatable, dimension(:) :: &
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f_edge, & !< edge character fraction of total dislocation density
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rho_mob_0, & !< initial unipolar dislocation density per slip system
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rho_dip_0 !< initial dipole dislocation density per slip system
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character(len=:), allocatable :: &
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@ -176,14 +177,15 @@ module function plastic_dislotwin_init() result(myPlasticity)
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do ph = 1, phases%length
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if (.not. myPlasticity(ph)) cycle
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
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associate(prm => param(ph), &
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stt => state(ph), dst => dependentState(ph), &
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idx_dot => indexDotState(ph))
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phase => phases%get_dict(ph)
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mech => phase%get_dict('mechanical')
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pl => mech%get_dict('plastic')
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pl => mech%get_dict('plastic')
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print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
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print'(/,1x,a,1x,i0,a)', 'phase',ph,': '//phases%key(ph)
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refs = config_listReferences(pl,indent=3)
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if (len(refs) > 0) print'(/,1x,a)', refs
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@ -201,66 +203,70 @@ module function plastic_dislotwin_init() result(myPlasticity)
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prm%sum_N_sl = sum(abs(N_sl))
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slipActive: if (prm%sum_N_sl > 0) then
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prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
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prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal=.false.)
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prm%omitDipoles = pl%get_asBool('omit_dipoles', defaultVal=.false.)
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prm%Q_cl = pl%get_asReal('Q_cl')
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f_edge = math_expand(pl%get_as1dReal('f_edge', requiredSize=size(N_sl), &
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defaultVal=[(0.5_pREAL,i=1,size(N_sl))]),N_sl)
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rho_mob_0 = math_expand(pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl)),N_sl)
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rho_dip_0 = math_expand(pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl)),N_sl)
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prm%v_0 = math_expand(pl%get_as1dReal('v_0', requiredSize=size(N_sl)),N_sl)
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prm%b_sl = math_expand(pl%get_as1dReal('b_sl', requiredSize=size(N_sl)),N_sl)
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prm%Q_sl = math_expand(pl%get_as1dReal('Q_sl', requiredSize=size(N_sl)),N_sl)
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prm%i_sl = math_expand(pl%get_as1dReal('i_sl', requiredSize=size(N_sl)),N_sl)
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prm%p = math_expand(pl%get_as1dReal('p_sl', requiredSize=size(N_sl)),N_sl)
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prm%q = math_expand(pl%get_as1dReal('q_sl', requiredSize=size(N_sl)),N_sl)
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prm%tau_0 = math_expand(pl%get_as1dReal('tau_0', requiredSize=size(N_sl)),N_sl)
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prm%B = math_expand(pl%get_as1dReal('B', requiredSize=size(N_sl), &
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defaultVal=[(0.0_pREAL,i=1,size(N_sl))]),N_sl)
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prm%d_caron = prm%b_sl * pl%get_asReal('D_a')
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prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dReal('h_sl-sl'),phase_lattice(ph))
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prm%forestProjection = lattice_forestProjection_edge(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%forestProjection = transpose(prm%forestProjection)
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prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. (N_sl(1) == 12)
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prm%forestProjection = spread( f_edge,1,prm%sum_N_sl) &
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* lattice_forestProjection_edge (N_sl,phase_lattice(ph),phase_cOverA(ph)) &
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+ spread(1.0_pREAL-f_edge,1,prm%sum_N_sl) &
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* lattice_forestProjection_screw(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. N_sl(1) == 12
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if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_CF_TWINNUCLEATIONSLIPPAIR
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rho_mob_0 = pl%get_as1dReal('rho_mob_0', requiredSize=size(N_sl))
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rho_dip_0 = pl%get_as1dReal('rho_dip_0', requiredSize=size(N_sl))
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prm%v_0 = pl%get_as1dReal('v_0', requiredSize=size(N_sl))
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prm%b_sl = pl%get_as1dReal('b_sl', requiredSize=size(N_sl))
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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)
|
||||
! 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']))
|
||||
|
||||
! 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
|
||||
if ( prm%Q_cl <= 0.0_pREAL) extmsg = trim(extmsg)//' Q_cl'
|
||||
if (any(rho_mob_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' rho_mob_0'
|
||||
if (any(rho_dip_0 < 0.0_pREAL)) extmsg = trim(extmsg)//' rho_dip_0'
|
||||
if (any(prm%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%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%B < 0.0_pREAL)) extmsg = trim(extmsg)//' B'
|
||||
if (any(prm%d_caron < 0.0_pREAL)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
|
||||
if (any(prm%p<=0.0_pREAL .or. prm%p>1.0_pREAL)) extmsg = trim(extmsg)//' p_sl'
|
||||
if (any(prm%q< 1.0_pREAL .or. prm%q>2.0_pREAL)) extmsg = trim(extmsg)//' q_sl'
|
||||
else slipActive
|
||||
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
|
||||
allocate(prm%b_sl,prm%Q_sl,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray)
|
||||
allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
|
||||
rho_mob_0 = emptyRealArray
|
||||
rho_dip_0 = emptyRealArray
|
||||
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
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -268,24 +274,19 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
|
||||
prm%sum_N_tw = sum(abs(prm%N_tw))
|
||||
twinActive: if (prm%sum_N_tw > 0) then
|
||||
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%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%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%gamma_char_tw = lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
||||
|
||||
! expand: family => system
|
||||
prm%b_tw = math_expand(prm%b_tw,prm%N_tw)
|
||||
prm%t_tw = math_expand(prm%t_tw,prm%N_tw)
|
||||
prm%r = math_expand(prm%r,prm%N_tw)
|
||||
prm%L_tw = pl%get_asReal('L_tw')
|
||||
prm%i_tw = pl%get_asReal('i_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
|
||||
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%r < 0.0_pREAL)) extmsg = trim(extmsg)//' p_tw'
|
||||
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))
|
||||
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%sum_N_tr = sum(abs(prm%N_tr))
|
||||
transActive: if (prm%sum_N_tr > 0) then
|
||||
prm%b_tr = pl%get_as1dReal('b_tr')
|
||||
prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
|
||||
prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr,'hP',prm%cOverA_hP)
|
||||
|
||||
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
|
||||
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%V_mol = pl%get_asReal('V_mol')
|
||||
prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dReal('h_tr-tr'),&
|
||||
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
|
||||
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
|
||||
prm%gamma_0_sb = pl%get_asReal('gamma_0_sb',defaultVal=0.0_pREAL)
|
||||
if (prm%gamma_0_sb > 0.0_pREAL) then
|
||||
prm%tau_sb = pl%get_asReal('tau_sb')
|
||||
prm%E_sb = pl%get_asReal('Q_sb')
|
||||
prm%p_sb = pl%get_asReal('p_sb')
|
||||
prm%q_sb = pl%get_asReal('q_sb')
|
||||
prm%tau_sb = pl%get_asReal('tau_sb')
|
||||
prm%E_sb = pl%get_asReal('Q_sb')
|
||||
prm%p_sb = pl%get_asReal('p_sb')
|
||||
prm%q_sb = pl%get_asReal('q_sb')
|
||||
|
||||
! sanity checks
|
||||
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
|
||||
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
|
||||
prm%x_c = pl%get_asReal('x_c')
|
||||
|
|
@ -400,36 +403,36 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
startIndex = 1
|
||||
endIndex = prm%sum_N_sl
|
||||
idx_dot%rho_mob = [startIndex,endIndex]
|
||||
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_mob= spread(rho_mob_0,2,Nmembers)
|
||||
stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_mob = spread(rho_mob_0,2,Nmembers)
|
||||
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'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%rho_dip = [startIndex,endIndex]
|
||||
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_dip= spread(rho_dip_0,2,Nmembers)
|
||||
stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_dip = spread(rho_dip_0,2,Nmembers)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asReal('atol_rho',defaultVal=1.0_pREAL)
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
idx_dot%gamma_sl = [startIndex,endIndex]
|
||||
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%gamma_sl => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
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'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tw
|
||||
idx_dot%f_tw = [startIndex,endIndex]
|
||||
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%f_tw => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
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'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tr
|
||||
idx_dot%f_tr = [startIndex,endIndex]
|
||||
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%f_tr => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
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'
|
||||
|
||||
|
|
@ -478,7 +481,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
|||
|
||||
twinActive: if (prm%sum_N_tw > 0) then
|
||||
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 &
|
||||
+ stt%f_tw(i,en)*C66_tw(1:6,1:6,i)
|
||||
end do
|
||||
|
|
@ -486,7 +489,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
|||
|
||||
transActive: if (prm%sum_N_tr > 0) then
|
||||
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 &
|
||||
+ stt%f_tr(i,en)*C66_tr(1:6,1:6,i)
|
||||
end do
|
||||
|
|
|
|||
Loading…
Reference in New Issue