2018-07-06 22:27:37 +05:30
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!--------------------------------------------------------------------------------------------------
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2018-09-06 03:11:35 +05:30
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Su Leen Wong, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Nan Jia, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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2013-10-08 21:57:26 +05:30
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief material subroutine incoprorating dislocation and twinning physics
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!> @details to be done
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!--------------------------------------------------------------------------------------------------
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2021-01-27 01:22:48 +05:30
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submodule(phase:plastic) dislotwin
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2020-02-14 13:53:09 +05:30
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2022-06-15 11:58:20 +05:30
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real(pReal), parameter :: gamma_char_tr = sqrt(0.125_pReal) !< Characteristic shear for transformation
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2020-02-01 02:07:18 +05:30
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type :: tParameters
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real(pReal) :: &
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2022-06-15 11:58:20 +05:30
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Q_cl = 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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i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
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i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
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L_tw = 1.0_pReal, & !< length of twin nuclei
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L_tr = 1.0_pReal, & !< length of trans nuclei
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x_c = 1.0_pReal, & !< critical distance for formation of twin/trans nucleus
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V_cs = 1.0_pReal, & !< cross slip volume
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tau_sb = 1.0_pReal, & !< value for shearband resistance
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gamma_0_sb = 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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h = 1.0_pReal, & !< stack height of hex nucleus
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cOverA_hP = 1.0_pReal, &
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V_mol = 1.0_pReal, &
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rho = 1.0_pReal
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2022-02-11 13:00:24 +05:30
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type(tPolynomial) :: &
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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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2020-02-14 13:53:09 +05:30
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real(pReal), allocatable, dimension(:) :: &
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2020-09-23 05:36:03 +05:30
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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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2021-07-24 01:06:26 +05:30
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Q_sl,& !< activation energy for glide [J] for each slip system
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2020-09-22 18:32:24 +05:30
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v_0, & !< dislocation velocity prefactor [m/s] for each slip system
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2020-02-01 02:07:18 +05:30
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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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2020-09-22 18:32:24 +05:30
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i_sl, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
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2021-02-14 11:36:14 +05:30
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t_tr, & !< martensite lamellar thickness [m] for each trans system
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2020-02-01 02:07:18 +05:30
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p, & !< p-exponent in glide velocity
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q, & !< q-exponent in glide velocity
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2021-12-31 02:39:53 +05:30
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r, & !< exponent in twin nucleation rate
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s, & !< exponent in trans nucleation rate
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2021-02-24 16:36:46 +05:30
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tau_0, & !< strength due to elements in solid solution
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2022-01-27 04:21:49 +05:30
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gamma_char_tw, & !< characteristic shear for twins
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2021-07-24 01:06:26 +05:30
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B, & !< drag coefficient
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d_caron !< distance of spontaneous annhihilation
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2020-02-14 13:53:09 +05:30
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real(pReal), allocatable, dimension(:,:) :: &
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2020-08-15 19:32:10 +05:30
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h_sl_sl, & !< components of slip-slip interaction matrix
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h_sl_tw, & !< components of slip-twin interaction matrix
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h_sl_tr, & !< components of slip-trans interaction matrix
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2022-09-22 03:57:49 +05:30
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h_tw_tw, & !< components of twin-twin interaction matrix
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2020-08-15 19:32:10 +05:30
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h_tr_tr, & !< components of trans-trans interaction matrix
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2020-02-01 02:07:18 +05:30
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n0_sl, & !< slip system normal
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2021-11-17 23:40:01 +05:30
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forestProjection
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2020-02-14 13:53:09 +05:30
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real(pReal), allocatable, dimension(:,:,:) :: &
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2020-02-01 02:07:18 +05:30
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P_sl, &
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P_tw, &
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2021-11-17 23:40:01 +05:30
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P_tr
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2020-02-14 13:53:09 +05:30
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integer :: &
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2020-02-01 02:07:18 +05:30
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sum_N_sl, & !< total number of active slip system
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sum_N_tw, & !< total number of active twin system
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2020-02-14 13:53:09 +05:30
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sum_N_tr !< total number of active transformation system
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2021-11-17 23:40:01 +05:30
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integer, allocatable, dimension(:) :: &
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N_tw, &
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N_tr
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2020-02-14 13:53:09 +05:30
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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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2021-11-17 23:40:01 +05:30
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character(len=:), allocatable :: &
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lattice_tr
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2022-11-30 01:26:13 +05:30
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character(len=9) :: &
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2022-11-12 04:33:30 +05:30
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isotropic_bound
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2020-02-14 13:53:09 +05:30
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character(len=pStringLen), allocatable, dimension(:) :: &
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output
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2020-02-01 02:07:18 +05:30
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logical :: &
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2022-02-11 13:00:24 +05:30
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extendedDislocations, & !< consider split into partials for climb calculation
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2020-02-01 02:07:18 +05:30
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fccTwinTransNucleation, & !< twinning and transformation models are for fcc
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2021-02-25 00:42:50 +05:30
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omitDipoles !< flag controlling consideration of dipole formation
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2021-07-25 15:24:41 +05:30
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character(len=:), allocatable, dimension(:) :: &
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systems_sl, &
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systems_tw
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2022-02-11 18:53:41 +05:30
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end type tParameters !< container type for internal constitutive parameters
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type :: tIndexDotState
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integer, dimension(2) :: &
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rho_mob, &
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rho_dip, &
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gamma_sl, &
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f_tw, &
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f_tr
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end type tIndexDotState
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2020-02-14 13:53:09 +05:30
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2020-02-01 02:07:18 +05:30
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type :: tDislotwinState
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real(pReal), dimension(:,:), pointer :: &
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rho_mob, &
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rho_dip, &
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gamma_sl, &
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f_tw, &
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f_tr
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end type tDislotwinState
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2020-02-14 13:53:09 +05:30
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2021-07-27 02:26:40 +05:30
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type :: tDislotwinDependentState
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2020-02-01 02:07:18 +05:30
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real(pReal), dimension(:,:), allocatable :: &
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Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
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Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
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Lambda_tr, & !< mean free path between 2 obstacles seen by a growing martensite
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2022-01-27 02:51:34 +05:30
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tau_pass !< threshold stress for slip
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2021-07-27 02:26:40 +05:30
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end type tDislotwinDependentState
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2020-02-14 13:53:09 +05:30
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2019-01-27 16:07:50 +05:30
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!--------------------------------------------------------------------------------------------------
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! containers for parameters and state
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2020-02-01 02:07:18 +05:30
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type(tParameters), allocatable, dimension(:) :: param
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2022-02-11 18:53:41 +05:30
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type(tIndexDotState), allocatable, dimension(:) :: indexDotState
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type(tDislotwinState), allocatable, dimension(:) :: state
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2021-07-27 02:26:40 +05:30
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type(tDislotwinDependentState), allocatable, dimension(:) :: dependentState
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2013-10-08 21:57:26 +05:30
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contains
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2011-04-13 17:21:46 +05:30
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2013-03-28 13:10:30 +05:30
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2013-10-08 21:57:26 +05:30
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!--------------------------------------------------------------------------------------------------
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2020-02-14 13:53:09 +05:30
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!> @brief Perform module initialization.
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2013-10-08 21:57:26 +05:30
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!> @details reads in material parameters, allocates arrays, and does sanity checks
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!--------------------------------------------------------------------------------------------------
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2020-08-15 19:32:10 +05:30
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module function plastic_dislotwin_init() result(myPlasticity)
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2014-06-11 17:41:14 +05:30
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2020-08-15 19:32:10 +05:30
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logical, dimension(:), allocatable :: myPlasticity
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2020-02-01 02:07:18 +05:30
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integer :: &
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2021-02-16 20:36:09 +05:30
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ph, i, &
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2021-03-05 01:46:36 +05:30
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Nmembers, &
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2020-02-01 02:07:18 +05:30
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sizeState, sizeDotState, &
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startIndex, endIndex
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2020-03-16 19:28:42 +05:30
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integer, dimension(:), allocatable :: &
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2021-11-17 23:40:01 +05:30
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N_sl
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2022-01-27 03:43:56 +05:30
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real(pReal) :: a_cF
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2020-03-16 19:28:42 +05:30
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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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2020-02-01 02:07:18 +05:30
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character(len=pStringLen) :: &
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extmsg = ''
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2022-10-25 21:39:36 +05:30
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type(tDict), pointer :: &
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2020-08-15 19:32:10 +05:30
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phases, &
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phase, &
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2020-11-03 03:16:46 +05:30
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mech, &
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2020-08-15 19:32:10 +05:30
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pl
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2020-02-14 13:53:09 +05:30
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2021-02-14 11:36:14 +05:30
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2020-08-15 19:32:10 +05:30
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myPlasticity = plastic_active('dislotwin')
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2021-11-22 02:19:04 +05:30
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if (count(myPlasticity) == 0) return
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2021-01-19 14:44:34 +05:30
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2021-11-15 23:05:44 +05:30
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print'(/,1x,a)', '<<<+- phase:mechanical:plastic:dislotwin init -+>>>'
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print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
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2021-02-13 17:37:35 +05:30
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2021-11-15 23:05:44 +05:30
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print'(/,1x,a)', 'A. Ma and F. Roters, Acta Materialia 52(12):3603–3612, 2004'
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2021-12-31 02:32:29 +05:30
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print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2004.04.012'
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2020-09-14 00:30:34 +05:30
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2021-11-15 23:05:44 +05:30
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print'(/,1x,a)', 'F. Roters et al., Computational Materials Science 39:91–95, 2007'
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2021-12-31 02:32:29 +05:30
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print'( 1x,a)', 'https://doi.org/10.1016/j.commatsci.2006.04.014'
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2020-09-14 00:30:34 +05:30
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2021-11-15 23:05:44 +05:30
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print'(/,1x,a)', 'S.L. Wong et al., Acta Materialia 118:140–151, 2016'
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print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2016.07.032'
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2020-02-14 13:53:09 +05:30
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2022-10-25 21:39:36 +05:30
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phases => config_material%get_dict('phase')
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2021-02-14 11:36:14 +05:30
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allocate(param(phases%length))
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2022-02-11 18:53:41 +05:30
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allocate(indexDotState(phases%length))
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2021-02-14 11:36:14 +05:30
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allocate(state(phases%length))
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allocate(dependentState(phases%length))
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2021-02-16 20:36:09 +05:30
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do ph = 1, phases%length
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2021-11-22 02:19:04 +05:30
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if (.not. myPlasticity(ph)) cycle
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2021-02-16 20:36:09 +05:30
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2022-02-11 18:53:41 +05:30
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
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idx_dot => indexDotState(ph))
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2021-02-16 20:36:09 +05:30
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2022-10-25 21:39:36 +05:30
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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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2020-08-15 19:32:10 +05:30
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#if defined (__GFORTRAN__)
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2021-03-11 22:30:07 +05:30
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prm%output = output_as1dString(pl)
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2020-08-15 19:32:10 +05:30
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#else
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2021-03-11 22:30:07 +05:30
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prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
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2020-08-15 19:32:10 +05:30
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#endif
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2020-03-15 14:09:35 +05:30
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2022-11-30 01:26:13 +05:30
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prm%isotropic_bound = pl%get_asString('isotropic_bound',defaultVal='isostrain')
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2022-11-12 04:33:30 +05:30
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2018-10-18 02:43:47 +05:30
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!--------------------------------------------------------------------------------------------------
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! slip related parameters
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2021-03-11 22:30:07 +05:30
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N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
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2020-03-16 19:32:40 +05:30
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prm%sum_N_sl = sum(abs(N_sl))
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2020-02-01 02:07:18 +05:30
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slipActive: if (prm%sum_N_sl > 0) then
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2021-07-25 15:24:41 +05:30
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prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
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2021-07-21 19:16:38 +05:30
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prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
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prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('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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2020-03-16 12:46:55 +05:30
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prm%forestProjection = transpose(prm%forestProjection)
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2020-02-14 13:53:09 +05:30
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2021-07-21 19:16:38 +05:30
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prm%n0_sl = lattice_slip_normal(N_sl,phase_lattice(ph),phase_cOverA(ph))
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2021-06-01 02:32:51 +05:30
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prm%fccTwinTransNucleation = phase_lattice(ph) == 'cF' .and. (N_sl(1) == 12)
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2022-02-21 14:30:00 +05:30
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if (prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_CF_TWINNUCLEATIONSLIPPAIR
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2020-03-16 12:46:55 +05:30
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2021-03-11 22:30:07 +05:30
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rho_mob_0 = pl%get_as1dFloat('rho_mob_0', requiredSize=size(N_sl))
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rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
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prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl))
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prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl))
|
2021-07-24 15:13:14 +05:30
|
|
|
|
prm%Q_sl = pl%get_as1dFloat('Q_sl', requiredSize=size(N_sl))
|
2021-03-11 22:30:07 +05:30
|
|
|
|
prm%i_sl = pl%get_as1dFloat('i_sl', requiredSize=size(N_sl))
|
|
|
|
|
prm%p = pl%get_as1dFloat('p_sl', requiredSize=size(N_sl))
|
|
|
|
|
prm%q = pl%get_as1dFloat('q_sl', requiredSize=size(N_sl))
|
|
|
|
|
prm%tau_0 = pl%get_as1dFloat('tau_0', requiredSize=size(N_sl))
|
|
|
|
|
prm%B = pl%get_as1dFloat('B', requiredSize=size(N_sl), &
|
2020-03-16 12:46:55 +05:30
|
|
|
|
defaultVal=[(0.0_pReal, i=1,size(N_sl))])
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 01:06:26 +05:30
|
|
|
|
prm%Q_cl = pl%get_asFloat('Q_cl')
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-02-11 13:00:24 +05:30
|
|
|
|
prm%extendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
|
2021-07-04 02:00:06 +05:30
|
|
|
|
prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.)
|
2020-03-16 19:28:42 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
|
2020-03-15 14:09:35 +05:30
|
|
|
|
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
2020-08-15 19:32:10 +05:30
|
|
|
|
prm%omega = pl%get_asFloat('omega', defaultVal = 1000.0_pReal) &
|
2021-06-01 02:32:51 +05:30
|
|
|
|
* merge(12.0_pReal,8.0_pReal,any(phase_lattice(ph) == ['cF','hP']))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
! expand: family => system
|
2020-03-16 19:28:42 +05:30
|
|
|
|
rho_mob_0 = math_expand(rho_mob_0, N_sl)
|
|
|
|
|
rho_dip_0 = math_expand(rho_dip_0, N_sl)
|
2020-09-22 18:32:24 +05:30
|
|
|
|
prm%v_0 = math_expand(prm%v_0, N_sl)
|
2020-03-16 12:46:55 +05:30
|
|
|
|
prm%b_sl = math_expand(prm%b_sl, N_sl)
|
2021-07-24 14:51:07 +05:30
|
|
|
|
prm%Q_sl = math_expand(prm%Q_sl, N_sl)
|
2020-09-22 18:32:24 +05:30
|
|
|
|
prm%i_sl = math_expand(prm%i_sl, N_sl)
|
2020-03-16 12:46:55 +05:30
|
|
|
|
prm%p = math_expand(prm%p, N_sl)
|
|
|
|
|
prm%q = math_expand(prm%q, N_sl)
|
2021-02-24 16:36:46 +05:30
|
|
|
|
prm%tau_0 = math_expand(prm%tau_0, N_sl)
|
2020-03-16 12:46:55 +05:30
|
|
|
|
prm%B = math_expand(prm%B, N_sl)
|
2021-07-24 01:06:26 +05:30
|
|
|
|
prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
! sanity checks
|
2020-09-22 18:32:24 +05:30
|
|
|
|
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'
|
2021-07-24 01:06:26 +05:30
|
|
|
|
if (any(prm%Q_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_sl'
|
2020-09-22 18:32:24 +05:30
|
|
|
|
if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
|
|
|
|
|
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
|
2021-07-24 01:06:26 +05:30
|
|
|
|
if (any(prm%d_caron < 0.0_pReal)) extmsg = trim(extmsg)//' d_caron(D_a,b_sl)'
|
2020-09-22 18:32:24 +05:30
|
|
|
|
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'
|
2020-02-01 02:07:18 +05:30
|
|
|
|
else slipActive
|
2020-03-16 19:28:42 +05:30
|
|
|
|
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
|
2021-07-24 01:06:26 +05:30
|
|
|
|
allocate(prm%b_sl,prm%Q_sl,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray)
|
2020-03-16 19:28:42 +05:30
|
|
|
|
allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end if slipActive
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2018-10-18 02:43:47 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! twin related parameters
|
2022-01-27 03:31:47 +05:30
|
|
|
|
prm%N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%sum_N_tw = sum(abs(prm%N_tw))
|
2020-03-16 19:28:42 +05:30
|
|
|
|
twinActive: if (prm%sum_N_tw > 0) then
|
2021-11-17 23:40:01 +05:30
|
|
|
|
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_as1dFloat('h_tw-tw'), &
|
2021-07-21 19:16:38 +05:30
|
|
|
|
phase_lattice(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%b_tw = pl%get_as1dFloat('b_tw', requiredSize=size(prm%N_tw))
|
|
|
|
|
prm%t_tw = pl%get_as1dFloat('t_tw', requiredSize=size(prm%N_tw))
|
|
|
|
|
prm%r = pl%get_as1dFloat('p_tw', requiredSize=size(prm%N_tw))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-08-15 19:32:10 +05:30
|
|
|
|
prm%L_tw = pl%get_asFloat('L_tw')
|
|
|
|
|
prm%i_tw = pl%get_asFloat('i_tw')
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-01-27 04:21:49 +05:30
|
|
|
|
prm%gamma_char_tw = lattice_characteristicShear_Twin(prm%N_tw,phase_lattice(ph),phase_cOverA(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
! expand: family => system
|
2021-11-17 23:40:01 +05:30
|
|
|
|
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)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-03-16 12:46:55 +05:30
|
|
|
|
! sanity checks
|
2022-01-27 03:31:47 +05:30
|
|
|
|
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TWIP for non-fcc'
|
2020-03-16 12:46:55 +05:30
|
|
|
|
if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
|
|
|
|
|
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw'
|
|
|
|
|
if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw'
|
|
|
|
|
if (any(prm%t_tw < 0.0_pReal)) extmsg = trim(extmsg)//' t_tw'
|
2020-08-15 19:32:10 +05:30
|
|
|
|
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' p_tw'
|
2020-03-16 19:28:42 +05:30
|
|
|
|
else twinActive
|
2022-01-27 04:21:49 +05:30
|
|
|
|
allocate(prm%gamma_char_tw,prm%b_tw,prm%t_tw,prm%r,source=emptyRealArray)
|
2020-03-16 19:28:42 +05:30
|
|
|
|
allocate(prm%h_tw_tw(0,0))
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end if twinActive
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2018-10-19 01:50:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! transformation related parameters
|
2022-01-27 03:31:47 +05:30
|
|
|
|
prm%N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray)
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%sum_N_tr = sum(abs(prm%N_tr))
|
2020-03-16 19:28:42 +05:30
|
|
|
|
transActive: if (prm%sum_N_tr > 0) then
|
2021-03-11 22:30:07 +05:30
|
|
|
|
prm%b_tr = pl%get_as1dFloat('b_tr')
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-01-27 03:43:56 +05:30
|
|
|
|
prm%i_tr = pl%get_asFloat('i_tr')
|
2022-11-22 18:50:19 +05:30
|
|
|
|
prm%Delta_G = polynomial(pl,'Delta_G','T')
|
2022-01-27 03:43:56 +05:30
|
|
|
|
prm%L_tr = pl%get_asFloat('L_tr')
|
2022-09-22 03:57:49 +05:30
|
|
|
|
a_cF = prm%b_tr(1)*sqrt(6.0_pReal) ! b_tr is Shockley partial
|
2022-01-27 03:55:47 +05:30
|
|
|
|
prm%h = 5.0_pReal * a_cF/sqrt(3.0_pReal)
|
2022-01-27 03:43:56 +05:30
|
|
|
|
prm%cOverA_hP = pl%get_asFloat('c/a_hP')
|
2022-01-27 03:55:47 +05:30
|
|
|
|
prm%rho = 4.0_pReal/(sqrt(3.0_pReal)*a_cF**2)/N_A
|
2022-02-06 12:40:23 +05:30
|
|
|
|
prm%V_mol = pl%get_asFloat('V_mol')
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,pl%get_as1dFloat('h_tr-tr'),&
|
|
|
|
|
phase_lattice(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-01-27 03:43:56 +05:30
|
|
|
|
prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr,'hP',prm%cOverA_hP)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-03-11 22:30:07 +05:30
|
|
|
|
prm%t_tr = pl%get_as1dFloat('t_tr')
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%t_tr = math_expand(prm%t_tr,prm%N_tr)
|
2022-01-27 03:31:47 +05:30
|
|
|
|
prm%s = pl%get_as1dFloat('p_tr')
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%s = math_expand(prm%s,prm%N_tr)
|
2020-03-16 12:46:55 +05:30
|
|
|
|
|
|
|
|
|
! sanity checks
|
2022-01-27 03:31:47 +05:30
|
|
|
|
if (.not. prm%fccTwinTransNucleation) extmsg = trim(extmsg)//' TRIP for non-fcc'
|
2020-03-16 12:46:55 +05:30
|
|
|
|
if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
|
2022-02-06 12:40:23 +05:30
|
|
|
|
if ( prm%V_mol < 0.0_pReal) extmsg = trim(extmsg)//' V_mol'
|
2020-03-16 12:46:55 +05:30
|
|
|
|
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
|
|
|
|
|
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
|
2020-08-15 19:32:10 +05:30
|
|
|
|
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr'
|
2020-03-16 19:28:42 +05:30
|
|
|
|
else transActive
|
2021-12-31 02:39:53 +05:30
|
|
|
|
allocate(prm%s,prm%b_tr,prm%t_tr,source=emptyRealArray)
|
2020-02-01 02:07:18 +05:30
|
|
|
|
allocate(prm%h_tr_tr(0,0))
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end if transActive
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2019-01-29 11:11:27 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! shearband related parameters
|
2022-06-13 17:38:45 +05:30
|
|
|
|
prm%gamma_0_sb = pl%get_asFloat('gamma_0_sb',defaultVal=0.0_pReal)
|
|
|
|
|
if (prm%gamma_0_sb > 0.0_pReal) then
|
|
|
|
|
prm%tau_sb = pl%get_asFloat('tau_sb')
|
2020-08-15 19:32:10 +05:30
|
|
|
|
prm%E_sb = pl%get_asFloat('Q_sb')
|
|
|
|
|
prm%p_sb = pl%get_asFloat('p_sb')
|
|
|
|
|
prm%q_sb = pl%get_asFloat('q_sb')
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
! sanity checks
|
2022-06-13 17:38:45 +05:30
|
|
|
|
if (prm%tau_sb < 0.0_pReal) extmsg = trim(extmsg)//' tau_sb'
|
|
|
|
|
if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' Q_sb'
|
|
|
|
|
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_sb'
|
|
|
|
|
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_sb'
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end if
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-03-16 19:28:42 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! parameters required for several mechanisms and their interactions
|
2021-11-22 02:19:04 +05:30
|
|
|
|
if (prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
|
2020-08-15 19:32:10 +05:30
|
|
|
|
prm%D = pl%get_asFloat('D')
|
2020-03-16 19:28:42 +05:30
|
|
|
|
|
2022-01-27 02:58:24 +05:30
|
|
|
|
if (prm%sum_N_tw + prm%sum_N_tr > 0) then
|
|
|
|
|
prm%x_c = pl%get_asFloat('x_c')
|
2021-07-04 02:00:06 +05:30
|
|
|
|
prm%V_cs = pl%get_asFloat('V_cs')
|
2022-01-27 02:58:24 +05:30
|
|
|
|
if (prm%x_c < 0.0_pReal) extmsg = trim(extmsg)//' x_c'
|
|
|
|
|
if (prm%V_cs < 0.0_pReal) extmsg = trim(extmsg)//' V_cs'
|
|
|
|
|
end if
|
2021-07-04 02:00:06 +05:30
|
|
|
|
|
2022-02-11 13:00:24 +05:30
|
|
|
|
if (prm%sum_N_tw + prm%sum_N_tr > 0 .or. prm%extendedDislocations) &
|
2022-11-22 18:50:19 +05:30
|
|
|
|
prm%Gamma_sf = polynomial(pl,'Gamma_sf','T')
|
2020-03-16 19:28:42 +05:30
|
|
|
|
|
|
|
|
|
slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,prm%N_tw,pl%get_as1dFloat('h_sl-tw'), &
|
2021-07-21 19:16:38 +05:30
|
|
|
|
phase_lattice(ph))
|
2021-11-17 23:40:01 +05:30
|
|
|
|
if (prm%fccTwinTransNucleation .and. size(prm%N_tw) /= 1) extmsg = trim(extmsg)//' N_tw: nucleation'
|
2022-06-09 02:36:01 +05:30
|
|
|
|
end if slipAndTwinActive
|
2020-03-16 19:28:42 +05:30
|
|
|
|
|
|
|
|
|
slipAndTransActive: if (prm%sum_N_sl * prm%sum_N_tr > 0) then
|
2021-11-17 23:40:01 +05:30
|
|
|
|
prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,prm%N_tr,pl%get_as1dFloat('h_sl-tr'), &
|
2021-07-21 19:16:38 +05:30
|
|
|
|
phase_lattice(ph))
|
2021-11-17 23:40:01 +05:30
|
|
|
|
if (prm%fccTwinTransNucleation .and. size(prm%N_tr) /= 1) extmsg = trim(extmsg)//' N_tr: nucleation'
|
2022-06-09 02:36:01 +05:30
|
|
|
|
end if slipAndTransActive
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-10-26 02:48:22 +05:30
|
|
|
|
twinAndTransActive: if (prm%sum_N_tw * prm%sum_N_tr > 0) then
|
|
|
|
|
if (dNeq(prm%b_tw(1),prm%b_tr(1))) extmsg = trim(extmsg)//' b_tw != b_tr'
|
|
|
|
|
end if twinAndTransActive
|
|
|
|
|
|
2014-07-02 17:57:39 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! allocate state arrays
|
2021-04-06 15:08:44 +05:30
|
|
|
|
Nmembers = count(material_phaseID == ph)
|
2020-02-01 02:07:18 +05:30
|
|
|
|
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl &
|
|
|
|
|
+ size(['f_tw']) * prm%sum_N_tw &
|
|
|
|
|
+ size(['f_tr']) * prm%sum_N_tr
|
|
|
|
|
sizeState = sizeDotState
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-03-05 01:46:36 +05:30
|
|
|
|
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
|
2022-02-11 18:53:41 +05:30
|
|
|
|
deallocate(plasticState(ph)%dotState) ! ToDo: remove dotState completely
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2019-01-27 16:07:50 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2022-02-11 18:53:41 +05:30
|
|
|
|
! state aliases and initialization
|
2020-02-01 02:07:18 +05:30
|
|
|
|
startIndex = 1
|
|
|
|
|
endIndex = prm%sum_N_sl
|
2022-02-11 18:53:41 +05:30
|
|
|
|
idx_dot%rho_mob = [startIndex,endIndex]
|
2021-02-16 20:36:09 +05:30
|
|
|
|
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
|
2021-03-05 01:46:36 +05:30
|
|
|
|
stt%rho_mob= spread(rho_mob_0,2,Nmembers)
|
2021-02-16 20:36:09 +05:30
|
|
|
|
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
|
|
|
|
|
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
startIndex = endIndex + 1
|
|
|
|
|
endIndex = endIndex + prm%sum_N_sl
|
2022-02-11 18:53:41 +05:30
|
|
|
|
idx_dot%rho_dip = [startIndex,endIndex]
|
2021-02-16 20:36:09 +05:30
|
|
|
|
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
|
2021-03-05 01:46:36 +05:30
|
|
|
|
stt%rho_dip= spread(rho_dip_0,2,Nmembers)
|
2021-02-16 20:36:09 +05:30
|
|
|
|
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
startIndex = endIndex + 1
|
|
|
|
|
endIndex = endIndex + prm%sum_N_sl
|
2022-02-11 18:53:41 +05:30
|
|
|
|
idx_dot%gamma_sl = [startIndex,endIndex]
|
2021-02-16 20:36:09 +05:30
|
|
|
|
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
|
2021-06-25 10:27:08 +05:30
|
|
|
|
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
|
2021-11-22 02:19:04 +05:30
|
|
|
|
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
startIndex = endIndex + 1
|
|
|
|
|
endIndex = endIndex + prm%sum_N_tw
|
2022-02-11 18:53:41 +05:30
|
|
|
|
idx_dot%f_tw = [startIndex,endIndex]
|
2021-02-16 20:36:09 +05:30
|
|
|
|
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
|
2021-06-25 10:27:08 +05:30
|
|
|
|
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tw',defaultVal=1.0e-6_pReal)
|
2021-02-27 14:34:08 +05:30
|
|
|
|
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tw'
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
startIndex = endIndex + 1
|
|
|
|
|
endIndex = endIndex + prm%sum_N_tr
|
2022-02-11 18:53:41 +05:30
|
|
|
|
idx_dot%f_tr = [startIndex,endIndex]
|
2021-02-16 20:36:09 +05:30
|
|
|
|
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
|
2021-02-26 11:39:04 +05:30
|
|
|
|
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal)
|
2021-02-27 14:34:08 +05:30
|
|
|
|
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr'
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
|
|
|
|
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
|
|
|
|
allocate(dst%Lambda_tw(prm%sum_N_tw,Nmembers),source=0.0_pReal)
|
|
|
|
|
allocate(dst%Lambda_tr(prm%sum_N_tr,Nmembers),source=0.0_pReal)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
end associate
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-03-15 14:09:35 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
! exit if any parameter is out of range
|
2022-05-27 03:54:40 +05:30
|
|
|
|
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg))
|
2020-03-15 14:09:35 +05:30
|
|
|
|
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end do
|
2019-01-27 16:07:50 +05:30
|
|
|
|
|
2020-08-15 19:32:10 +05:30
|
|
|
|
end function plastic_dislotwin_init
|
2014-07-22 13:13:03 +05:30
|
|
|
|
|
2019-01-27 16:07:50 +05:30
|
|
|
|
|
2013-10-08 21:57:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Return the homogenized elasticity matrix.
|
2013-10-08 21:57:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2021-04-13 00:51:15 +05:30
|
|
|
|
module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-01-19 14:44:34 +05:30
|
|
|
|
integer, intent(in) :: &
|
2021-04-13 00:51:15 +05:30
|
|
|
|
ph, en
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal), dimension(6,6) :: &
|
2021-11-22 02:19:04 +05:30
|
|
|
|
homogenizedC, &
|
2021-11-19 11:59:40 +05:30
|
|
|
|
C
|
2021-11-17 23:40:01 +05:30
|
|
|
|
real(pReal), dimension(:,:,:), allocatable :: &
|
|
|
|
|
C66_tw, &
|
|
|
|
|
C66_tr
|
2021-01-19 14:44:34 +05:30
|
|
|
|
integer :: i
|
2021-12-20 03:23:48 +05:30
|
|
|
|
real(pReal) :: f_matrix
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
|
|
|
|
|
2021-11-19 11:59:40 +05:30
|
|
|
|
C = elastic_C66(ph,en)
|
|
|
|
|
|
|
|
|
|
associate(prm => param(ph), stt => state(ph))
|
2021-11-17 23:40:01 +05:30
|
|
|
|
|
2021-12-20 03:23:48 +05:30
|
|
|
|
f_matrix = 1.0_pReal &
|
|
|
|
|
- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
|
|
|
|
|
- sum(stt%f_tr(1:prm%sum_N_tr,en))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-12-20 03:23:48 +05:30
|
|
|
|
homogenizedC = f_matrix * C
|
2021-11-17 23:40:01 +05:30
|
|
|
|
|
|
|
|
|
twinActive: if (prm%sum_N_tw > 0) then
|
2021-11-19 11:59:40 +05:30
|
|
|
|
C66_tw = lattice_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph))
|
2021-11-17 23:40:01 +05:30
|
|
|
|
do i=1,prm%sum_N_tw
|
|
|
|
|
homogenizedC = homogenizedC &
|
|
|
|
|
+ stt%f_tw(i,en)*C66_tw(1:6,1:6,i)
|
|
|
|
|
end do
|
2021-11-22 02:19:04 +05:30
|
|
|
|
end if twinActive
|
|
|
|
|
|
2021-11-17 23:40:01 +05:30
|
|
|
|
transActive: if (prm%sum_N_tr > 0) then
|
2022-01-27 03:43:56 +05:30
|
|
|
|
C66_tr = lattice_C66_trans(prm%N_tr,C,'hP',prm%cOverA_hP)
|
2021-11-17 23:40:01 +05:30
|
|
|
|
do i=1,prm%sum_N_tr
|
|
|
|
|
homogenizedC = homogenizedC &
|
|
|
|
|
+ stt%f_tr(i,en)*C66_tr(1:6,1:6,i)
|
|
|
|
|
end do
|
|
|
|
|
end if transActive
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
end associate
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2019-01-27 16:45:11 +05:30
|
|
|
|
end function plastic_dislotwin_homogenizedC
|
2018-09-06 03:11:35 +05:30
|
|
|
|
|
|
|
|
|
|
2013-10-08 21:57:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Calculate plastic velocity gradient and its tangent.
|
2013-10-08 21:57:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2021-12-20 02:37:23 +05:30
|
|
|
|
module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal), dimension(3,3), intent(out) :: Lp
|
|
|
|
|
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
|
|
|
|
|
real(pReal), dimension(3,3), intent(in) :: Mp
|
2021-04-25 11:36:52 +05:30
|
|
|
|
integer, intent(in) :: ph,en
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
integer :: i,k,l,m,n
|
|
|
|
|
real(pReal) :: &
|
2021-12-20 03:23:48 +05:30
|
|
|
|
f_matrix,StressRatio_p,&
|
2021-12-20 02:37:23 +05:30
|
|
|
|
E_kB_T, &
|
|
|
|
|
ddot_gamma_dtau, &
|
|
|
|
|
tau, &
|
|
|
|
|
T
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
2021-07-21 18:22:09 +05:30
|
|
|
|
dot_gamma_sl,ddot_gamma_dtau_sl
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
2021-02-27 14:34:08 +05:30
|
|
|
|
dot_gamma_tw,ddot_gamma_dtau_tw
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
2021-02-27 14:34:08 +05:30
|
|
|
|
dot_gamma_tr,ddot_gamma_dtau_tr
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal):: dot_gamma_sb
|
|
|
|
|
real(pReal), dimension(3,3) :: eigVectors, P_sb
|
|
|
|
|
real(pReal), dimension(3) :: eigValues
|
|
|
|
|
real(pReal), dimension(3,6), parameter :: &
|
|
|
|
|
sb_sComposition = &
|
|
|
|
|
reshape(real([&
|
|
|
|
|
1, 0, 1, &
|
|
|
|
|
1, 0,-1, &
|
|
|
|
|
1, 1, 0, &
|
|
|
|
|
1,-1, 0, &
|
|
|
|
|
0, 1, 1, &
|
|
|
|
|
0, 1,-1 &
|
|
|
|
|
],pReal),[ 3,6]), &
|
|
|
|
|
sb_mComposition = &
|
|
|
|
|
reshape(real([&
|
|
|
|
|
1, 0,-1, &
|
|
|
|
|
1, 0,+1, &
|
|
|
|
|
1,-1, 0, &
|
|
|
|
|
1, 1, 0, &
|
|
|
|
|
0, 1,-1, &
|
|
|
|
|
0, 1, 1 &
|
|
|
|
|
],pReal),[ 3,6])
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
|
|
|
|
|
2021-12-20 02:37:23 +05:30
|
|
|
|
T = thermal_T(ph,en)
|
2020-02-01 02:07:18 +05:30
|
|
|
|
Lp = 0.0_pReal
|
2020-02-14 13:53:09 +05:30
|
|
|
|
dLp_dMp = 0.0_pReal
|
|
|
|
|
|
2021-12-20 02:37:23 +05:30
|
|
|
|
associate(prm => param(ph), stt => state(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-12-20 03:23:48 +05:30
|
|
|
|
f_matrix = 1.0_pReal &
|
|
|
|
|
- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
|
|
|
|
|
- sum(stt%f_tr(1:prm%sum_N_tr,en))
|
2021-12-20 02:37:23 +05:30
|
|
|
|
|
|
|
|
|
call kinetics_sl(Mp,T,ph,en,dot_gamma_sl,ddot_gamma_dtau_sl)
|
|
|
|
|
slipContribution: do i = 1, prm%sum_N_sl
|
|
|
|
|
Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
|
|
|
|
|
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
|
|
|
|
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
|
|
|
|
+ ddot_gamma_dtau_sl(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
|
|
|
|
|
end do slipContribution
|
|
|
|
|
|
2022-01-26 11:54:29 +05:30
|
|
|
|
if (prm%sum_N_tw > 0) call kinetics_tw(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tw,ddot_gamma_dtau_tw)
|
2021-12-20 02:37:23 +05:30
|
|
|
|
twinContibution: do i = 1, prm%sum_N_tw
|
|
|
|
|
Lp = Lp + dot_gamma_tw(i)*prm%P_tw(1:3,1:3,i)
|
|
|
|
|
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
|
|
|
|
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
|
|
|
|
+ ddot_gamma_dtau_tw(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
|
|
|
|
|
end do twinContibution
|
|
|
|
|
|
2022-01-26 11:54:29 +05:30
|
|
|
|
if (prm%sum_N_tr > 0) call kinetics_tr(Mp,T,dot_gamma_sl,ph,en,dot_gamma_tr,ddot_gamma_dtau_tr)
|
2021-12-20 02:37:23 +05:30
|
|
|
|
transContibution: do i = 1, prm%sum_N_tr
|
|
|
|
|
Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i)
|
|
|
|
|
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
|
|
|
|
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
|
|
|
|
+ ddot_gamma_dtau_tr(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
|
|
|
|
|
end do transContibution
|
|
|
|
|
|
2021-12-20 03:23:48 +05:30
|
|
|
|
Lp = Lp * f_matrix
|
|
|
|
|
dLp_dMp = dLp_dMp * f_matrix
|
2021-12-20 02:37:23 +05:30
|
|
|
|
|
2022-06-13 17:38:45 +05:30
|
|
|
|
shearBandingContribution: if (dNeq0(prm%gamma_0_sb)) then
|
2021-12-20 02:37:23 +05:30
|
|
|
|
|
|
|
|
|
E_kB_T = prm%E_sb/(K_B*T)
|
2022-01-27 04:21:49 +05:30
|
|
|
|
call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
|
2021-12-20 02:37:23 +05:30
|
|
|
|
|
|
|
|
|
do i = 1,6
|
|
|
|
|
P_sb = 0.5_pReal * math_outer(matmul(eigVectors,sb_sComposition(1:3,i)),&
|
|
|
|
|
matmul(eigVectors,sb_mComposition(1:3,i)))
|
|
|
|
|
tau = math_tensordot(Mp,P_sb)
|
|
|
|
|
|
|
|
|
|
significantShearBandStress: if (abs(tau) > tol_math_check) then
|
2022-06-13 17:38:45 +05:30
|
|
|
|
StressRatio_p = (abs(tau)/prm%tau_sb)**prm%p_sb
|
|
|
|
|
dot_gamma_sb = sign(prm%gamma_0_sb*exp(-E_kB_T*(1-StressRatio_p)**prm%q_sb), tau)
|
|
|
|
|
ddot_gamma_dtau = abs(dot_gamma_sb)*E_kB_T*prm%p_sb*prm%q_sb/prm%tau_sb &
|
|
|
|
|
* (abs(tau)/prm%tau_sb)**(prm%p_sb-1.0_pReal) &
|
2021-12-20 02:37:23 +05:30
|
|
|
|
* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
|
|
|
|
|
|
|
|
|
|
Lp = Lp + dot_gamma_sb * P_sb
|
|
|
|
|
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
|
|
|
|
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
|
|
|
|
|
+ ddot_gamma_dtau * P_sb(k,l) * P_sb(m,n)
|
|
|
|
|
end if significantShearBandStress
|
|
|
|
|
end do
|
|
|
|
|
|
|
|
|
|
end if shearBandingContribution
|
|
|
|
|
|
|
|
|
|
end associate
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-01-26 12:03:04 +05:30
|
|
|
|
end subroutine dislotwin_LpAndItsTangent
|
2011-04-13 17:21:46 +05:30
|
|
|
|
|
|
|
|
|
|
2013-10-08 21:57:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Calculate the rate of change of microstructure.
|
2013-10-08 21:57:26 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2022-02-11 18:53:41 +05:30
|
|
|
|
module function dislotwin_dotState(Mp,ph,en) result(dotState)
|
2011-04-13 17:21:46 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal), dimension(3,3), intent(in):: &
|
|
|
|
|
Mp !< Mandel stress
|
|
|
|
|
integer, intent(in) :: &
|
2021-01-27 03:11:41 +05:30
|
|
|
|
ph, &
|
2021-04-25 11:36:52 +05:30
|
|
|
|
en
|
2022-02-11 18:53:41 +05:30
|
|
|
|
real(pReal), dimension(plasticState(ph)%sizeDotState) :: &
|
|
|
|
|
dotState
|
2020-02-01 02:07:18 +05:30
|
|
|
|
|
|
|
|
|
integer :: i
|
|
|
|
|
real(pReal) :: &
|
2021-12-20 03:23:48 +05:30
|
|
|
|
f_matrix, &
|
2021-07-24 01:06:26 +05:30
|
|
|
|
d_hat, &
|
2020-02-14 13:53:09 +05:30
|
|
|
|
v_cl, & !< climb velocity
|
2020-02-01 02:07:18 +05:30
|
|
|
|
tau, &
|
2020-02-14 13:53:09 +05:30
|
|
|
|
sigma_cl, & !< climb stress
|
2020-09-23 05:36:03 +05:30
|
|
|
|
b_d !< ratio of Burgers vector to stacking fault width
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
dot_rho_dip_formation, &
|
|
|
|
|
dot_rho_dip_climb, &
|
|
|
|
|
dot_gamma_sl
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
2021-02-27 14:34:08 +05:30
|
|
|
|
dot_gamma_tw
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
dot_gamma_tr
|
2021-11-17 23:40:01 +05:30
|
|
|
|
real(pReal) :: &
|
2022-02-11 18:53:41 +05:30
|
|
|
|
mu, nu, &
|
|
|
|
|
T
|
2022-02-11 13:00:24 +05:30
|
|
|
|
|
2019-03-22 11:18:38 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
|
|
|
|
|
dot_rho_mob => dotState(indexDotState(ph)%rho_mob(1):indexDotState(ph)%rho_mob(2)), &
|
|
|
|
|
dot_rho_dip => dotState(indexDotState(ph)%rho_dip(1):indexDotState(ph)%rho_dip(2)), &
|
|
|
|
|
abs_dot_gamma_sl => dotState(indexDotState(ph)%gamma_sl(1):indexDotState(ph)%gamma_sl(2)), &
|
|
|
|
|
dot_f_tw => dotState(indexDotState(ph)%f_tw(1):indexDotState(ph)%f_tw(2)), &
|
|
|
|
|
dot_f_tr => dotState(indexDotState(ph)%f_tr(1):indexDotState(ph)%f_tr(2)))
|
2018-09-01 14:15:34 +05:30
|
|
|
|
|
2022-11-12 04:33:30 +05:30
|
|
|
|
mu = elastic_mu(ph,en,prm%isotropic_bound)
|
|
|
|
|
nu = elastic_nu(ph,en,prm%isotropic_bound)
|
2022-02-11 18:53:41 +05:30
|
|
|
|
T = thermal_T(ph,en)
|
2021-11-17 23:40:01 +05:30
|
|
|
|
|
2021-12-20 03:23:48 +05:30
|
|
|
|
f_matrix = 1.0_pReal &
|
|
|
|
|
- sum(stt%f_tw(1:prm%sum_N_tw,en)) &
|
|
|
|
|
- sum(stt%f_tr(1:prm%sum_N_tr,en))
|
2020-02-01 02:07:18 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
call kinetics_sl(Mp,T,ph,en,dot_gamma_sl)
|
2022-02-11 18:53:41 +05:30
|
|
|
|
abs_dot_gamma_sl = abs(dot_gamma_sl)
|
2020-02-01 02:07:18 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
slipState: do i = 1, prm%sum_N_sl
|
|
|
|
|
tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
|
2020-02-01 02:07:18 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
significantSlipStress: if (dEq0(tau) .or. prm%omitDipoles) then
|
|
|
|
|
dot_rho_dip_formation(i) = 0.0_pReal
|
2020-02-01 02:07:18 +05:30
|
|
|
|
dot_rho_dip_climb(i) = 0.0_pReal
|
2021-07-24 10:39:35 +05:30
|
|
|
|
else significantSlipStress
|
2021-11-17 23:40:01 +05:30
|
|
|
|
d_hat = 3.0_pReal*mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
|
2021-07-24 10:39:35 +05:30
|
|
|
|
d_hat = math_clip(d_hat, right = dst%Lambda_sl(i,en))
|
|
|
|
|
d_hat = math_clip(d_hat, left = prm%d_caron(i))
|
|
|
|
|
|
|
|
|
|
dot_rho_dip_formation(i) = 2.0_pReal*(d_hat-prm%d_caron(i))/prm%b_sl(i) &
|
2022-02-11 18:53:41 +05:30
|
|
|
|
* stt%rho_mob(i,en)*abs_dot_gamma_sl(i)
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
|
|
|
|
if (dEq(d_hat,prm%d_caron(i))) then
|
|
|
|
|
dot_rho_dip_climb(i) = 0.0_pReal
|
|
|
|
|
else
|
|
|
|
|
! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
|
|
|
|
|
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
|
2022-02-11 13:00:24 +05:30
|
|
|
|
if (prm%extendedDislocations) then
|
|
|
|
|
b_d = 24.0_pReal*PI*(1.0_pReal - nu)/(2.0_pReal + nu) * prm%Gamma_sf%at(T) / (mu*prm%b_sl(i))
|
|
|
|
|
else
|
|
|
|
|
b_d = 1.0_pReal
|
|
|
|
|
end if
|
2021-11-28 23:16:26 +05:30
|
|
|
|
v_cl = 2.0_pReal*prm%omega*b_d**2*exp(-prm%Q_cl/(K_B*T)) &
|
|
|
|
|
* (exp(abs(sigma_cl)*prm%b_sl(i)**3/(K_B*T)) - 1.0_pReal)
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
|
|
|
|
dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) &
|
|
|
|
|
/ (d_hat-prm%d_caron(i))
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end if
|
|
|
|
|
end if significantSlipStress
|
|
|
|
|
end do slipState
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
dot_rho_mob = abs_dot_gamma_sl/(prm%b_sl*dst%Lambda_sl(:,en)) &
|
|
|
|
|
- dot_rho_dip_formation &
|
|
|
|
|
- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_mob(:,en)*abs_dot_gamma_sl
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
dot_rho_dip = dot_rho_dip_formation &
|
|
|
|
|
- 2.0_pReal*prm%d_caron/prm%b_sl * stt%rho_dip(:,en)*abs_dot_gamma_sl &
|
|
|
|
|
- dot_rho_dip_climb
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
if (prm%sum_N_tw > 0) call kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,dot_gamma_tw)
|
|
|
|
|
dot_f_tw = f_matrix*dot_gamma_tw/prm%gamma_char_tw
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
if (prm%sum_N_tr > 0) call kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,dot_gamma_tr)
|
2022-06-15 11:58:20 +05:30
|
|
|
|
dot_f_tr = f_matrix*dot_gamma_tr/gamma_char_tr
|
2018-08-31 19:38:01 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
end associate
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-02-11 18:53:41 +05:30
|
|
|
|
end function dislotwin_dotState
|
2011-04-13 17:21:46 +05:30
|
|
|
|
|
2018-09-12 16:55:18 +05:30
|
|
|
|
|
2019-01-27 13:05:07 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Calculate derived quantities from state.
|
2019-01-27 13:05:07 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2022-01-27 04:31:53 +05:30
|
|
|
|
module subroutine dislotwin_dependentState(ph,en)
|
2019-01-27 13:05:07 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
integer, intent(in) :: &
|
2021-02-14 11:36:14 +05:30
|
|
|
|
ph, &
|
2021-04-25 11:36:52 +05:30
|
|
|
|
en
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal) :: &
|
2022-01-26 11:54:29 +05:30
|
|
|
|
sumf_tw, sumf_tr
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
2021-02-27 14:41:43 +05:30
|
|
|
|
inv_lambda_sl
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tw) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
inv_lambda_tw_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
|
|
|
|
|
f_over_t_tw
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tr) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
|
|
|
|
|
f_over_t_tr
|
2021-11-17 23:40:01 +05:30
|
|
|
|
real(pReal) :: &
|
2022-02-11 13:00:24 +05:30
|
|
|
|
mu
|
|
|
|
|
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-23 03:39:51 +05:30
|
|
|
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-11-12 04:33:30 +05:30
|
|
|
|
mu = elastic_mu(ph,en,prm%isotropic_bound)
|
2021-07-23 03:39:51 +05:30
|
|
|
|
sumf_tw = sum(stt%f_tw(1:prm%sum_N_tw,en))
|
|
|
|
|
sumf_tr = sum(stt%f_tr(1:prm%sum_N_tr,en))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-23 03:39:51 +05:30
|
|
|
|
!* rescaled volume fraction for topology
|
|
|
|
|
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,en)/prm%t_tw ! this is per system ...
|
|
|
|
|
f_over_t_tr = sumf_tr/prm%t_tr ! but this not
|
2020-03-16 19:28:42 +05:30
|
|
|
|
! ToDo ...Physically correct, but naming could be adjusted
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-23 03:39:51 +05:30
|
|
|
|
inv_lambda_sl = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))/prm%i_sl
|
|
|
|
|
if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
|
|
|
|
|
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
|
|
|
|
|
if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
|
|
|
|
|
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
|
|
|
|
|
dst%Lambda_sl(:,en) = prm%D / (1.0_pReal+prm%D*inv_lambda_sl)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-23 03:39:51 +05:30
|
|
|
|
inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
|
|
|
|
|
dst%Lambda_tw(:,en) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-23 03:39:51 +05:30
|
|
|
|
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
|
|
|
|
|
dst%Lambda_tr(:,en) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-23 03:39:51 +05:30
|
|
|
|
!* threshold stress for dislocation motion
|
2021-11-17 23:40:01 +05:30
|
|
|
|
dst%tau_pass(:,en) = mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
end associate
|
2019-01-28 00:14:53 +05:30
|
|
|
|
|
2021-01-26 16:47:00 +05:30
|
|
|
|
end subroutine dislotwin_dependentState
|
2019-01-27 13:05:07 +05:30
|
|
|
|
|
|
|
|
|
|
2019-03-10 01:13:31 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Write results to HDF5 output file.
|
2019-03-10 01:13:31 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2021-02-14 11:36:14 +05:30
|
|
|
|
module subroutine plastic_dislotwin_results(ph,group)
|
2019-03-10 01:13:31 +05:30
|
|
|
|
|
2021-02-14 11:36:14 +05:30
|
|
|
|
integer, intent(in) :: ph
|
2019-12-03 02:21:25 +05:30
|
|
|
|
character(len=*), intent(in) :: group
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-25 15:24:41 +05:30
|
|
|
|
integer :: ou
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
|
|
|
|
|
|
|
|
|
do ou = 1,size(prm%output)
|
|
|
|
|
|
|
|
|
|
select case(trim(prm%output(ou)))
|
|
|
|
|
|
|
|
|
|
case('rho_mob')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), &
|
|
|
|
|
'mobile dislocation density','1/m²',prm%systems_sl)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
case('rho_dip')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), &
|
|
|
|
|
'dislocation dipole density','1/m²',prm%systems_sl)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
case('gamma_sl')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
|
|
|
|
|
'plastic shear','1',prm%systems_sl)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
case('Lambda_sl')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), &
|
|
|
|
|
'mean free path for slip','m',prm%systems_sl)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
case('tau_pass')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
|
|
|
|
|
'passing stress for slip','Pa',prm%systems_sl)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
|
|
|
|
|
case('f_tw')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(stt%f_tw,group,trim(prm%output(ou)), &
|
|
|
|
|
'twinned volume fraction','m³/m³',prm%systems_tw)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
case('Lambda_tw')
|
2021-08-08 01:32:44 +05:30
|
|
|
|
call results_writeDataset(dst%Lambda_tw,group,trim(prm%output(ou)), &
|
|
|
|
|
'mean free path for twinning','m',prm%systems_tw)
|
2021-07-25 15:24:41 +05:30
|
|
|
|
|
|
|
|
|
case('f_tr')
|
2021-11-22 02:19:04 +05:30
|
|
|
|
if (prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), &
|
2021-07-25 15:24:41 +05:30
|
|
|
|
'martensite volume fraction','m³/m³')
|
|
|
|
|
|
|
|
|
|
end select
|
|
|
|
|
|
2021-11-15 23:05:44 +05:30
|
|
|
|
end do
|
2021-07-25 15:24:41 +05:30
|
|
|
|
|
2019-03-10 01:13:31 +05:30
|
|
|
|
end associate
|
|
|
|
|
|
|
|
|
|
end subroutine plastic_dislotwin_results
|
|
|
|
|
|
|
|
|
|
|
2018-09-12 16:55:18 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Calculate shear rates on slip systems, their derivatives with respect to resolved
|
|
|
|
|
! stress, and the resolved stress.
|
2019-01-27 21:29:44 +05:30
|
|
|
|
!> @details Derivatives and resolved stress are calculated only optionally.
|
|
|
|
|
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
|
|
|
|
|
! have the optional arguments at the end
|
2018-09-12 16:55:18 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2021-07-21 18:22:09 +05:30
|
|
|
|
pure subroutine kinetics_sl(Mp,T,ph,en, &
|
|
|
|
|
dot_gamma_sl,ddot_gamma_dtau_sl,tau_sl)
|
2018-09-12 16:55:18 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal), dimension(3,3), intent(in) :: &
|
|
|
|
|
Mp !< Mandel stress
|
|
|
|
|
real(pReal), intent(in) :: &
|
|
|
|
|
T !< temperature
|
|
|
|
|
integer, intent(in) :: &
|
2021-02-14 11:36:14 +05:30
|
|
|
|
ph, &
|
2021-04-25 11:36:52 +05:30
|
|
|
|
en
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
dot_gamma_sl
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
|
2021-07-21 18:22:09 +05:30
|
|
|
|
ddot_gamma_dtau_sl, &
|
|
|
|
|
tau_sl
|
2022-02-11 18:53:41 +05:30
|
|
|
|
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
ddot_gamma_dtau
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
tau, &
|
|
|
|
|
stressRatio, &
|
|
|
|
|
StressRatio_p, &
|
2021-07-24 10:39:35 +05:30
|
|
|
|
Q_kB_T, &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned)
|
|
|
|
|
v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned)
|
|
|
|
|
dV_wait_inverse_dTau, &
|
|
|
|
|
dV_run_inverse_dTau, &
|
|
|
|
|
dV_dTau, &
|
|
|
|
|
tau_eff !< effective resolved stress
|
2020-02-14 13:53:09 +05:30
|
|
|
|
integer :: i
|
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
2021-02-14 11:36:14 +05:30
|
|
|
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
tau = [(math_tensordot(Mp,prm%P_sl(1:3,1:3,i)),i = 1, prm%sum_N_sl)]
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
tau_eff = abs(tau)-dst%tau_pass(:,en)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
significantStress: where(tau_eff > tol_math_check)
|
|
|
|
|
stressRatio = tau_eff/prm%tau_0
|
|
|
|
|
StressRatio_p = stressRatio** prm%p
|
2021-11-25 16:22:52 +05:30
|
|
|
|
Q_kB_T = prm%Q_sl/(K_B*T)
|
2021-10-31 01:38:55 +05:30
|
|
|
|
v_wait_inverse = exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q) &
|
|
|
|
|
/ prm%v_0
|
2021-07-24 10:39:35 +05:30
|
|
|
|
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
dV_wait_inverse_dTau = -1.0_pReal * v_wait_inverse * prm%p * prm%q * Q_kB_T &
|
|
|
|
|
* (stressRatio**(prm%p-1.0_pReal)) &
|
|
|
|
|
* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
|
|
|
|
|
/ prm%tau_0
|
|
|
|
|
dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
|
|
|
|
|
dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
|
2021-11-28 23:16:26 +05:30
|
|
|
|
/ (v_wait_inverse+v_run_inverse)**2
|
2021-07-24 10:39:35 +05:30
|
|
|
|
ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,en)*prm%b_sl
|
|
|
|
|
else where significantStress
|
|
|
|
|
dot_gamma_sl = 0.0_pReal
|
|
|
|
|
ddot_gamma_dtau = 0.0_pReal
|
|
|
|
|
end where significantStress
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
end associate
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-11-22 02:19:04 +05:30
|
|
|
|
if (present(ddot_gamma_dtau_sl)) ddot_gamma_dtau_sl = ddot_gamma_dtau
|
|
|
|
|
if (present(tau_sl)) tau_sl = tau
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-21 18:22:09 +05:30
|
|
|
|
end subroutine kinetics_sl
|
2018-10-02 01:44:54 +05:30
|
|
|
|
|
|
|
|
|
|
2018-09-13 01:37:59 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Calculate shear rates on twin systems and their derivatives with respect to resolved
|
|
|
|
|
! stress.
|
|
|
|
|
!> @details Derivatives are calculated only optionally.
|
|
|
|
|
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
|
|
|
|
|
! have the optional arguments at the end.
|
2018-09-13 01:37:59 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2022-02-11 18:53:41 +05:30
|
|
|
|
pure subroutine kinetics_tw(Mp,T,abs_dot_gamma_sl,ph,en,&
|
2021-07-21 18:22:09 +05:30
|
|
|
|
dot_gamma_tw,ddot_gamma_dtau_tw)
|
2018-09-13 01:37:59 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal), dimension(3,3), intent(in) :: &
|
|
|
|
|
Mp !< Mandel stress
|
|
|
|
|
real(pReal), intent(in) :: &
|
|
|
|
|
T !< temperature
|
|
|
|
|
integer, intent(in) :: &
|
2021-02-14 11:36:14 +05:30
|
|
|
|
ph, &
|
2021-04-25 11:36:52 +05:30
|
|
|
|
en
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
|
2022-02-11 18:53:41 +05:30
|
|
|
|
abs_dot_gamma_sl
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
|
2021-02-27 14:34:08 +05:30
|
|
|
|
dot_gamma_tw
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
|
2021-02-27 14:34:08 +05:30
|
|
|
|
ddot_gamma_dtau_tw
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-06-27 14:07:41 +05:30
|
|
|
|
real(pReal) :: &
|
2022-01-27 02:51:34 +05:30
|
|
|
|
tau, tau_r, tau_hat, &
|
2022-01-01 16:07:04 +05:30
|
|
|
|
dot_N_0, &
|
2022-01-04 12:10:58 +05:30
|
|
|
|
x0, V, &
|
2022-01-26 11:54:29 +05:30
|
|
|
|
Gamma_sf, &
|
2022-01-01 16:07:04 +05:30
|
|
|
|
mu, nu, &
|
|
|
|
|
P_ncs, dP_ncs_dtau, &
|
|
|
|
|
P, dP_dtau
|
2021-12-31 02:43:48 +05:30
|
|
|
|
integer, dimension(2) :: &
|
|
|
|
|
s
|
|
|
|
|
integer :: i
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-24 10:39:35 +05:30
|
|
|
|
|
2021-02-14 11:36:14 +05:30
|
|
|
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-11-12 04:33:30 +05:30
|
|
|
|
mu = elastic_mu(ph,en,prm%isotropic_bound)
|
|
|
|
|
nu = elastic_nu(ph,en,prm%isotropic_bound)
|
2022-02-11 13:00:24 +05:30
|
|
|
|
Gamma_sf = prm%Gamma_sf%at(T)
|
|
|
|
|
|
2022-01-27 03:31:47 +05:30
|
|
|
|
tau_hat = 3.0_pReal*prm%b_tw(1)*mu/prm%L_tw &
|
|
|
|
|
+ Gamma_sf/(3.0_pReal*prm%b_tw(1))
|
|
|
|
|
x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
|
|
|
|
|
tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
|
|
|
|
|
|
|
|
|
|
do i = 1, prm%sum_N_tw
|
|
|
|
|
tau = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
|
|
|
|
|
|
|
|
|
|
if (tau > tol_math_check .and. tau < tau_r) then
|
|
|
|
|
P = exp(-(tau_hat/tau)**prm%r(i))
|
|
|
|
|
dP_dTau = prm%r(i) * (tau_hat/tau)**prm%r(i)/tau * P
|
|
|
|
|
|
|
|
|
|
s = prm%fcc_twinNucleationSlipPair(1:2,i)
|
2022-02-11 18:53:41 +05:30
|
|
|
|
dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tw*3.0_pReal)
|
2022-01-27 03:31:47 +05:30
|
|
|
|
|
|
|
|
|
P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
|
|
|
|
|
dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
|
|
|
|
|
|
|
|
|
|
V = PI/4.0_pReal*dst%Lambda_tw(i,en)**2*prm%t_tw(i)
|
2022-01-27 12:38:42 +05:30
|
|
|
|
dot_gamma_tw(i) = V*dot_N_0*P_ncs*P*prm%gamma_char_tw(i)
|
2022-01-27 03:31:47 +05:30
|
|
|
|
if (present(ddot_gamma_dtau_tw)) &
|
2022-01-27 12:38:42 +05:30
|
|
|
|
ddot_gamma_dtau_tw(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau)*prm%gamma_char_tw(i)
|
2022-01-27 03:31:47 +05:30
|
|
|
|
else
|
|
|
|
|
dot_gamma_tw(i) = 0.0_pReal
|
|
|
|
|
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw(i) = 0.0_pReal
|
|
|
|
|
end if
|
|
|
|
|
end do
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
end associate
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2021-07-21 18:22:09 +05:30
|
|
|
|
end subroutine kinetics_tw
|
2018-09-13 01:37:59 +05:30
|
|
|
|
|
2019-01-28 00:14:53 +05:30
|
|
|
|
|
2018-09-15 14:13:05 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-14 13:53:09 +05:30
|
|
|
|
!> @brief Calculate shear rates on transformation systems and their derivatives with respect to
|
|
|
|
|
! resolved stress.
|
|
|
|
|
!> @details Derivatives are calculated only optionally.
|
|
|
|
|
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
|
|
|
|
|
! have the optional arguments at the end.
|
2018-09-15 14:13:05 +05:30
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2022-02-11 18:53:41 +05:30
|
|
|
|
pure subroutine kinetics_tr(Mp,T,abs_dot_gamma_sl,ph,en,&
|
2021-07-21 18:22:09 +05:30
|
|
|
|
dot_gamma_tr,ddot_gamma_dtau_tr)
|
2018-09-15 14:13:05 +05:30
|
|
|
|
|
2020-02-01 02:07:18 +05:30
|
|
|
|
real(pReal), dimension(3,3), intent(in) :: &
|
|
|
|
|
Mp !< Mandel stress
|
|
|
|
|
real(pReal), intent(in) :: &
|
|
|
|
|
T !< temperature
|
|
|
|
|
integer, intent(in) :: &
|
2021-02-14 11:36:14 +05:30
|
|
|
|
ph, &
|
2021-04-25 11:36:52 +05:30
|
|
|
|
en
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
|
2022-02-11 18:53:41 +05:30
|
|
|
|
abs_dot_gamma_sl
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
|
2020-02-01 02:07:18 +05:30
|
|
|
|
dot_gamma_tr
|
2021-02-14 11:36:14 +05:30
|
|
|
|
real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
|
2021-02-27 14:34:08 +05:30
|
|
|
|
ddot_gamma_dtau_tr
|
2020-02-14 13:53:09 +05:30
|
|
|
|
|
2022-06-27 14:07:41 +05:30
|
|
|
|
real(pReal) :: &
|
2022-01-27 02:51:34 +05:30
|
|
|
|
tau, tau_r, tau_hat, &
|
2021-12-31 13:15:55 +05:30
|
|
|
|
dot_N_0, &
|
2022-01-04 12:10:58 +05:30
|
|
|
|
x0, V, &
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2022-02-11 13:00:24 +05:30
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Gamma_sf, &
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2022-01-01 16:07:04 +05:30
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mu, nu, &
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P_ncs, dP_ncs_dtau, &
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P, dP_dtau
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2021-12-31 02:43:48 +05:30
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integer, dimension(2) :: &
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s
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integer :: i
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2021-07-24 10:39:35 +05:30
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2021-02-14 11:36:14 +05:30
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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2020-02-14 13:53:09 +05:30
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2022-11-12 04:33:30 +05:30
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mu = elastic_mu(ph,en,prm%isotropic_bound)
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nu = elastic_nu(ph,en,prm%isotropic_bound)
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2022-02-11 13:00:24 +05:30
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Gamma_sf = prm%Gamma_sf%at(T)
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2022-01-27 02:51:34 +05:30
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tau_hat = 3.0_pReal*prm%b_tr(1)*mu/prm%L_tr &
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2022-02-11 13:00:24 +05:30
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+ (Gamma_sf + (prm%h/prm%V_mol - 2.0_pReal*prm%rho)*prm%Delta_G%at(T))/(3.0_pReal*prm%b_tr(1))
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2022-01-27 02:58:24 +05:30
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x0 = mu*prm%b_sl(1)**2*(2.0_pReal+nu)/(Gamma_sf*8.0_pReal*PI*(1.0_pReal-nu))
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tau_r = mu*prm%b_sl(1)/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c)+cos(PI/3.0_pReal)/x0)
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2021-12-31 03:06:06 +05:30
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2021-07-24 10:39:35 +05:30
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do i = 1, prm%sum_N_tr
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2021-12-31 13:15:55 +05:30
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tau = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))
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2021-12-31 13:31:23 +05:30
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2022-01-01 16:07:04 +05:30
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if (tau > tol_math_check .and. tau < tau_r) then
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2022-01-27 02:51:34 +05:30
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P = exp(-(tau_hat/tau)**prm%s(i))
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dP_dTau = prm%s(i) * (tau_hat/tau)**prm%s(i)/tau * P
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2021-12-31 13:31:23 +05:30
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2022-01-01 15:17:15 +05:30
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s = prm%fcc_twinNucleationSlipPair(1:2,i)
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2022-02-11 18:53:41 +05:30
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dot_N_0 = sum(abs_dot_gamma_sl(s(2:1:-1))*(stt%rho_mob(s,en)+stt%rho_dip(s,en)))/(prm%L_tr*3.0_pReal)
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2022-01-01 16:07:04 +05:30
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P_ncs = 1.0_pReal-exp(-prm%V_cs/(K_B*T)*(tau_r-tau))
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dP_ncs_dtau = prm%V_cs / (K_B * T) * (P_ncs - 1.0_pReal)
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2022-02-06 12:40:23 +05:30
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2022-01-04 12:10:58 +05:30
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V = PI/4.0_pReal*dst%Lambda_tr(i,en)**2*prm%t_tr(i)
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2022-06-15 11:58:20 +05:30
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dot_gamma_tr(i) = V*dot_N_0*P_ncs*P*gamma_char_tr
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2022-01-01 16:07:04 +05:30
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if (present(ddot_gamma_dtau_tr)) &
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2022-06-15 11:58:20 +05:30
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ddot_gamma_dtau_tr(i) = V*dot_N_0*(P*dP_ncs_dtau + P_ncs*dP_dtau)*gamma_char_tr
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2021-12-31 02:39:53 +05:30
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else
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2021-12-31 13:15:55 +05:30
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dot_gamma_tr(i) = 0.0_pReal
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2022-01-01 16:07:04 +05:30
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if (present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr(i) = 0.0_pReal
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2021-12-31 02:39:53 +05:30
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end if
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2021-11-15 23:05:44 +05:30
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end do
|
2020-02-14 13:53:09 +05:30
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2020-02-01 02:07:18 +05:30
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end associate
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2020-02-14 13:53:09 +05:30
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2021-07-21 18:22:09 +05:30
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end subroutine kinetics_tr
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2018-09-15 11:54:12 +05:30
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2021-01-26 05:41:32 +05:30
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end submodule dislotwin
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