works for elasticity only
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Martin Diehl
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8ae5814815
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b19665f235
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@ -14,33 +14,31 @@ submodule(constitutive) plastic_dislotwin
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type :: tParameters
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real(pReal) :: &
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mu, & !< equivalent shear modulus
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nu, & !< equivalent shear Poisson's ratio
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D0, & !< prefactor for self-diffusion coefficient
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Qsd, & !< activation energy for dislocation climb
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omega, & !< frequency factor for dislocation climb
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D, & !< grain size
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p_sb, & !< p-exponent in shear band velocity
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q_sb, & !< q-exponent in shear band velocity
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CEdgeDipMinDistance, & !<
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i_tw, & !<
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tau_0, & !< strength due to elements in solid solution
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L_tw, & !< Length of twin nuclei in Burgers vectors
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L_tr, & !< Length of trans nuclei in Burgers vectors
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xc_twin, & !< critical distance for formation of twin nucleus
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xc_trans, & !< critical distance for formation of trans nucleus
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V_cs, & !< cross slip volume
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sbResistance, & !< value for shearband resistance
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sbVelocity, & !< value for shearband velocity_0
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E_sb, & !< activation energy for shear bands
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SFE_0K, & !< stacking fault energy at zero K
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dSFE_dT, & !< temperature dependence of stacking fault energy
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gamma_fcc_hex, & !< Free energy difference between austensite and martensite
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i_tr, & !<
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h !< Stack height of hex nucleus
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mu = 1.0_pReal, & !< equivalent shear modulus
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nu = 1.0_pReal, & !< equivalent shear Poisson's ratio
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D0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
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Qsd = 1.0_pReal, & !< activation energy for dislocation climb
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omega = 1.0_pReal, & !< frequency factor for dislocation climb
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D = 1.0_pReal, & !< grain size
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p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
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q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
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CEdgeDipMinDistance = 1.0_pReal, & !<
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i_tw = 1.0_pReal, & !<
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tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
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L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
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L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
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xc_twin = 1.0_pReal, & !< critical distance for formation of twin nucleus
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xc_trans = 1.0_pReal, & !< critical distance for formation of trans nucleus
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V_cs = 1.0_pReal, & !< cross slip volume
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sbResistance = 1.0_pReal, & !< value for shearband resistance
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sbVelocity = 1.0_pReal, & !< value for shearband velocity_0
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E_sb = 1.0_pReal, & !< activation energy for shear bands
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SFE_0K = 1.0_pReal, & !< stacking fault energy at zero K
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dSFE_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
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gamma_fcc_hex = 1.0_pReal, & !< Free energy difference between austensite and martensite
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i_tr = 1.0_pReal, & !<
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h = 1.0_pReal !< Stack height of hex nucleus
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real(pReal), allocatable, dimension(:) :: &
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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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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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@ -134,6 +132,9 @@ module subroutine plastic_dislotwin_init
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startIndex, endIndex
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integer, dimension(:), allocatable :: &
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N_sl, N_tw, N_tr
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real(pReal), allocatable, dimension(:) :: &
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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=pStringLen) :: &
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extmsg = ''
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@ -192,8 +193,8 @@ module subroutine plastic_dislotwin_init
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.and. (N_sl(1) == 12)
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if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
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prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl))
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prm%rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(N_sl))
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rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl))
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rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(N_sl))
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prm%v0 = config%getFloats('v0', requiredSize=size(N_sl))
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prm%b_sl = config%getFloats('slipburgers',requiredSize=size(N_sl))
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prm%Delta_F = config%getFloats('qedge', requiredSize=size(N_sl))
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@ -213,14 +214,16 @@ module subroutine plastic_dislotwin_init
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prm%dSFE_dT = config%getFloat('dsfe_dt')
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endif
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prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
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! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
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! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
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prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) &
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* merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID]))
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! expand: family => system
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prm%rho_mob_0 = math_expand(prm%rho_mob_0, N_sl)
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prm%rho_dip_0 = math_expand(prm%rho_dip_0, N_sl)
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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%v0 = math_expand(prm%v0, N_sl)
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prm%b_sl = math_expand(prm%b_sl, N_sl)
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prm%Delta_F = math_expand(prm%Delta_F, N_sl)
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@ -232,8 +235,8 @@ module subroutine plastic_dislotwin_init
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! sanity checks
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if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0'
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if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd'
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if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
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if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
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if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
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if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
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if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
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if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
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if (any(prm%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Delta_F'
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@ -241,18 +244,17 @@ module subroutine plastic_dislotwin_init
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if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
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if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p'
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if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q'
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else slipActive
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allocate(prm%rho_mob_0(0))
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allocate(prm%rho_dip_0(0))
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allocate(prm%b_sl(0))
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rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
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allocate(prm%b_sl,prm%Delta_F,prm%v0,prm%CLambdaSlip,prm%p,prm%q,prm%B,source=emptyRealArray)
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allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
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endif slipActive
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!--------------------------------------------------------------------------------------------------
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! twin related parameters
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N_tw = config%getInts('ntwin', defaultVal=emptyIntArray)
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prm%sum_N_tw = sum(N_tw)
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if (prm%sum_N_tw > 0) then
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twinActive: if (prm%sum_N_tw > 0) then
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prm%P_tw = lattice_SchmidMatrix_twin(N_tw,config%getString('lattice_structure'),&
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config%getFloat('c/a',defaultVal=0.0_pReal))
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prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,&
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@ -293,19 +295,16 @@ module subroutine plastic_dislotwin_init
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if (.not. prm%fccTwinTransNucleation) then
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if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw'
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endif
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else
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allocate(prm%gamma_char(0))
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allocate(prm%t_tw (0))
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allocate(prm%b_tw (0))
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allocate(prm%r (0))
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else twinActive
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allocate(prm%gamma_char,prm%b_tw,prm%dot_N_0_tw,prm%t_tw,prm%r,source=emptyRealArray)
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allocate(prm%h_tw_tw(0,0))
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endif
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endif twinActive
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!--------------------------------------------------------------------------------------------------
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! transformation related parameters
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N_tr = config%getInts('ntrans', defaultVal=emptyIntArray)
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prm%sum_N_tr = sum(N_tr)
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if (prm%sum_N_tr > 0) then
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transActive: if (prm%sum_N_tr > 0) then
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prm%b_tr = config%getFloats('transburgers')
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prm%b_tr = math_expand(prm%b_tr,N_tr)
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@ -346,32 +345,10 @@ module subroutine plastic_dislotwin_init
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if (lattice_structure(p) /= lattice_FCC_ID) then
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if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
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endif
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else
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allocate(prm%t_tr (0))
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allocate(prm%b_tr (0))
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allocate(prm%s (0))
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else transActive
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allocate(prm%s,prm%b_tr,prm%t_tr,prm%dot_N_0_tr,source=emptyRealArray)
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allocate(prm%h_tr_tr(0,0))
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endif
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if (sum(N_tw) > 0 .or. prm%sum_N_tr > 0) then
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prm%SFE_0K = config%getFloat('sfe_0k')
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prm%dSFE_dT = config%getFloat('dsfe_dt')
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prm%V_cs = config%getFloat('vcrossslip')
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endif
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if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
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prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
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config%getFloats('interaction_sliptwin'), &
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config%getString('lattice_structure'))
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if (prm%fccTwinTransNucleation .and. size(N_tw) /= 1) extmsg = trim(extmsg)//' interaction_sliptwin'
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endif
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if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then
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prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,N_tr,&
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config%getFloats('interaction_sliptrans'), &
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config%getString('lattice_structure'))
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if (prm%fccTwinTransNucleation .and. size(N_tr) /= 1) extmsg = trim(extmsg)//' interaction_sliptrans'
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endif
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endif transActive
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!--------------------------------------------------------------------------------------------------
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! shearband related parameters
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@ -389,8 +366,30 @@ module subroutine plastic_dislotwin_init
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if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband'
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endif
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!--------------------------------------------------------------------------------------------------
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! parameters required for several mechanisms and their interactions
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if(prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
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prm%D = config%getFloat('grainsize')
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prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
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twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
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prm%SFE_0K = config%getFloat('sfe_0k')
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prm%dSFE_dT = config%getFloat('dsfe_dt')
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prm%V_cs = config%getFloat('vcrossslip')
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endif twinOrSlipActive
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slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
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prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
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config%getFloats('interaction_sliptwin'), &
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config%getString('lattice_structure'))
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if (prm%fccTwinTransNucleation .and. size(N_tw) /= 1) extmsg = trim(extmsg)//' interaction_sliptwin'
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endif slipAndTwinActive
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slipAndTransActive: if (prm%sum_N_sl * prm%sum_N_tr > 0) then
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prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,N_tr,&
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config%getFloats('interaction_sliptrans'), &
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config%getString('lattice_structure'))
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if (prm%fccTwinTransNucleation .and. size(N_tr) /= 1) extmsg = trim(extmsg)//' interaction_sliptrans'
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endif slipAndTransActive
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!--------------------------------------------------------------------------------------------------
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! allocate state arrays
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@ -407,7 +406,7 @@ module subroutine plastic_dislotwin_init
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startIndex = 1
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endIndex = prm%sum_N_sl
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stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase)
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stt%rho_mob= spread(rho_mob_0,2,NipcMyPhase)
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dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
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if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
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@ -415,7 +414,7 @@ module subroutine plastic_dislotwin_init
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startIndex = endIndex + 1
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endIndex = endIndex + prm%sum_N_sl
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stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase)
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stt%rho_dip= spread(rho_dip_0,2,NipcMyPhase)
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dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
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