some more detailed doxygen comments
This commit is contained in:
Martin Diehl
parent
04c2b22766
commit
0be6706483
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@ -21,7 +21,7 @@
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!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief reading in of data when doing a restart
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!> @brief triggering reading in of restart information when doing a restart
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!--------------------------------------------------------------------------------------------------
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module FEsolving
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use prec, only: &
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@ -69,9 +69,11 @@ contains
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!--------------------------------------------------------------------------------------------------
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!> @brief determine whether a symmetric solver is used and whether restart is requested
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!> @details restart information is found in input file in case of FEM solvers, in case of spectal
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!> solver the information is provided by the interface module
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!--------------------------------------------------------------------------------------------------
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subroutine FE_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use debug, only: &
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debug_level, &
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debug_FEsolving, &
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443
code/lattice.f90
443
code/lattice.f90
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@ -16,28 +16,22 @@
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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!* $Id$
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!************************************
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!* Module: LATTICE *
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!************************************
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!* contains: *
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!* - Lattice structure definition *
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!* - Slip system definition *
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!* - Schmid matrices calculation *
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!************************************
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!--------------------------------------------------------------------------------------------------
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! $Id$
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!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief defines lattice structure definitions, slip and twin system definitions, Schimd matrix
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!> calculation and non-Schmid behavior
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!--------------------------------------------------------------------------------------------------
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module lattice
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use prec, only: pReal, &
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pInt
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use prec, only: &
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pReal, &
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pInt
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implicit none
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private
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!************************************
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!* Lattice structures *
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!************************************
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integer(pInt), parameter, public :: &
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lattice_maxNslipFamily = 5_pInt, & !< max # of slip system families over lattice structures
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lattice_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
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@ -51,10 +45,10 @@ module lattice
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lattice_NtwinSystem !< # of twin systems in each family
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integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
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lattice_interactionSlipSlip, & !< interaction type between slip/slip
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lattice_interactionSlipTwin, & !< interaction type between slip/twin
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lattice_interactionTwinSlip, & !< interaction type between twin/slip
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lattice_interactionTwinTwin !< interaction type between twin/twin
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lattice_interactionSlipSlip, & !< Slip--slip interaction type
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lattice_interactionSlipTwin, & !< Slip--twin interaction type
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lattice_interactionTwinSlip, & !< Twin--slip interaction type
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lattice_interactionTwinTwin !< Twin--twin interaction type
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real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
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@ -91,20 +85,19 @@ module lattice
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interactionTwinTwin
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integer(pInt), allocatable, dimension(:), protected, public :: &
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NnonSchmid !< # of Non Schmid contributions for each structure
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NnonSchmid !< # of non-Schmid contributions for each structure
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!--------------------------------------------------------------------------------------------------
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! fcc (1)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
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lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0],pInt)
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lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc
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integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
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lattice_fcc_NtwinSystem = int([12, 0, 0, 0],pInt)
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lattice_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
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integer(pInt), parameter, private :: &
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lattice_fcc_Nslip = 12_pInt, & ! sum(lattice_fcc_NslipSystem)
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lattice_fcc_Ntwin = 12_pInt ! sum(lattice_fcc_NtwinSystem)
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lattice_fcc_Nslip = sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
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lattice_fcc_Ntwin = sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc
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integer(pInt), private :: &
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lattice_fcc_Nstructure = 0_pInt
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@ -123,7 +116,7 @@ module lattice
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0, 1, 1, -1, 1,-1, &
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1, 0,-1, -1, 1,-1, &
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-1,-1, 0, -1, 1,-1 &
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],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip]) !< Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
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],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip]) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
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real(pReal), dimension(3+3,lattice_fcc_Ntwin), parameter, private :: &
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lattice_fcc_systemTwin = reshape(real( [&
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@ -139,7 +132,7 @@ module lattice
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2, 1,-1, -1, 1,-1, &
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-1,-2,-1, -1, 1,-1, &
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-1, 1, 2, -1, 1,-1 &
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],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin]) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
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real(pReal), dimension(lattice_fcc_Ntwin), parameter, private :: &
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lattice_fcc_shearTwin = reshape([&
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@ -155,7 +148,7 @@ module lattice
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal &
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],[lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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],[lattice_fcc_Ntwin]) !< Twin system <112>{111} ??? Sorted according to Eisenlohr & Hantcherli
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integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, public :: &
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lattice_fcc_interactionSlipSlip = reshape(int( [&
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@ -171,15 +164,13 @@ module lattice
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4,5,6,3,5,5,4,6,5,1,2,2, &
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5,3,5,5,4,6,6,4,5,2,1,2, &
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6,5,4,5,6,4,5,5,3,2,2,1 &
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Nslip],order=[2,1])
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!< Interaction types
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!< 1 --- self interaction
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!< 2 --- coplanar interaction
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!< 3 --- collinear interaction
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!< 4 --- Hirth locks
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!< 5 --- glissile junctions
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!< 6 --- Lomer locks
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Nslip],order=[2,1]) !< Slip--slip interaction types for fcc
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!< 1: self interaction
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!< 2: coplanar interaction
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!< 3: collinear interaction
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!< 4: Hirth locks
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!< 5: glissile junctions
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!< 6: Lomer locks
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integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin), target, public :: &
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lattice_fcc_interactionSlipTwin = reshape(int( [&
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1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin
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@ -194,14 +185,12 @@ module lattice
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3,3,3,2,2,2,3,3,3,1,1,1, &
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2,2,2,3,3,3,3,3,3,1,1,1, &
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3,3,3,3,3,3,2,2,2,1,1,1 &
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Ntwin],order=[2,1])
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!< Interaction types
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!< 1 --- coplanar interaction
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!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
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!< 3 --- other interaction
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Ntwin],order=[2,1]) !< Slip--twin interaction types for fcc
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!< 1: coplanar interaction
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!< 2: screw trace between slip system and twin habit plane (easy cross slip)
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!< 3: other interaction
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integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, public :: &
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lattice_fcc_interactionTwinSlip = 0_pInt
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lattice_fcc_interactionTwinSlip = 0_pInt !< Twin--Slip interaction types for fcc
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integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin), target, public :: &
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lattice_fcc_interactionTwinTwin = reshape(int( [&
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@ -217,30 +206,25 @@ module lattice
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2,2,2,2,2,2,2,2,2,1,1,1, &
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2,2,2,2,2,2,2,2,2,1,1,1, &
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2,2,2,2,2,2,2,2,2,1,1,1 &
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],pInt),[lattice_fcc_Ntwin,lattice_fcc_Ntwin],order=[2,1])
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],pInt),[lattice_fcc_Ntwin,lattice_fcc_Ntwin],order=[2,1]) !< Twin--twin interaction types for fcc
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! Number of Non Schmid contributions for FCC
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integer(pInt), parameter, private :: NnonSchmid_fcc = 0_pInt
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integer(pInt), parameter, private :: NnonSchmid_fcc = 0_pInt !< # of non-Schmid contributions for fcc
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! Tensor for each non schmid contribution
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real(pReal), dimension(3,3,2,NnonSchmid_fcc,lattice_fcc_Nslip), parameter, private :: &
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lattice_nonSchmid_fcc = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_fcc,lattice_fcc_Nslip])
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lattice_nonSchmid_fcc = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_fcc,lattice_fcc_Nslip]) !< Tensor for each non-Schmid contribution for fcc
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!--------------------------------------------------------------------------------------------------
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! bcc (2)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
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lattice_bcc_NslipSystem = int([ 12, 12, 0, 0, 0], pInt)
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lattice_bcc_NslipSystem = int([ 12, 12, 0, 0, 0], pInt) !< # of slip systems per family for bcc
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integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
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lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt)
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lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
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integer(pInt), parameter, private :: &
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lattice_bcc_Nslip = 24_pInt ! sum(lattice_bcc_NslipSystem)
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integer(pInt), parameter, private :: &
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lattice_bcc_Ntwin = 12_pInt ! sum(lattice_bcc_NtwinSystem)
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integer(pInt), parameter, private :: &
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lattice_bcc_Nslip = sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
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lattice_bcc_Ntwin = sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc
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integer(pInt), private :: &
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lattice_bcc_Nstructure = 0_pInt
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@ -333,7 +317,6 @@ module lattice
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0.7071067812_pReal &
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],[lattice_bcc_Ntwin])
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! slip--slip interactions for BCC structures (2) from Lee et al. Int J Plast 15 (1999) 625-645
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integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, public :: &
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lattice_bcc_interactionSlipSlip = reshape(int( [&
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1,3,6,6,5,4,4,2,4,2,5,4, 6,6,4,2,2,4,6,6,4,2,6,6, & ! ---> slip
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@ -361,15 +344,13 @@ module lattice
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2,4,6,6,6,6,4,2,4,2,6,6, 6,5,6,2,2,5,6,6,6,1,5,6, &
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6,6,4,2,2,4,6,6,2,4,6,6, 2,6,5,6,6,6,5,2,6,5,1,6, &
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6,6,2,4,6,6,2,4,6,6,2,4, 6,2,6,5,6,6,2,5,5,6,6,1 &
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip],order=[2,1])
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!< Interaction types
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!< 1 --- self interaction
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!< 2 --- no interaction
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!< 3 --- coplanar interaction
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!< 4 --- glissile interaction
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!< 5 --- weak sessile interaction
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!< 6 --- strong sessile interaction
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip],order=[2,1]) !< Slip--slip interaction types for bcc from Lee et al. Int J Plast 15 (1999) 625-645
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!< 1: self interaction
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!< 2: no interaction
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!< 3: coplanar interaction
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!< 4: glissile interaction
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!< 5: weak sessile interaction
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!< 6: strong sessile interaction
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integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, public :: &
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lattice_bcc_interactionSlipTwin = reshape(int( [&
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3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin
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@ -397,17 +378,13 @@ module lattice
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3,3,3,2,2,3,3,3,3,1,3,3, &
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2,3,3,3,3,3,3,2,3,3,1,3, &
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3,2,3,3,3,3,2,3,3,3,3,1 &
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin],order=[2,1])
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!< Interaction types
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!< 1 --- coplanar interaction
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!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
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!< 3 --- other interaction
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! twin--slip interactions for BCC structures (2) MISSING: not implemented yet
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin],order=[2,1]) !< Slip--twin interaction types for bcc
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!< 1: coplanar interaction
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!< 2: screw trace between slip system and twin habit plane (easy cross slip)
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!< 3: other interaction
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, public :: &
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lattice_bcc_interactionTwinSlip = 0_pInt
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lattice_bcc_interactionTwinSlip = 0_pInt !< Twin--slip interaction types for bcc @todo not implemented yet
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! twin--twin interactions for BCC structures (2)
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, public :: &
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lattice_bcc_interactionTwinTwin = reshape(int( [&
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1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
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@ -422,38 +399,30 @@ module lattice
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3,3,3,2,2,3,3,3,3,1,3,3, &
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2,3,3,3,3,3,3,2,3,3,1,3, &
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3,2,3,3,3,3,2,3,3,3,3,1 &
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],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin],order=[2,1])
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!< Interaction types
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!< 1 --- self interaction
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!< 2 --- collinear interaction
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!< 3 --- other interaction
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! Number of Non Schmid contributions for BCC
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integer(pInt), parameter, private :: NnonSchmid_bcc = 0_pInt
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],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin],order=[2,1]) !< Twin--twin interaction types for bcc
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!< 1: self interaction
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!< 2: collinear interaction
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!< 3: other interaction
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integer(pInt), parameter, private :: NnonSchmid_bcc = 0_pInt !< # of non-Schmid contributions for bcc
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! Tensor for each non schmid contribution
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real(pReal), dimension(3,3,2,NnonSchmid_bcc,lattice_bcc_Nslip), parameter, private :: &
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lattice_nonSchmid_bcc = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_bcc,lattice_bcc_Nslip])
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lattice_nonSchmid_bcc = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_bcc,lattice_bcc_Nslip]) !< Tensor for each non-Schmid contribution for bcc
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!--------------------------------------------------------------------------------------------------
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! hex (3+)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
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lattice_hex_NslipSystem = int([ 3, 3, 6, 12, 6],pInt)
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lattice_hex_NslipSystem = int([ 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex
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integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
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lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt)
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lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
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integer(pInt), parameter , private :: &
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lattice_hex_Nslip = 30_pInt ! sum(lattice_hex_NslipSystem)
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integer(pInt), parameter, private :: &
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lattice_hex_Ntwin = 24_pInt ! sum(lattice_hex_NtwinSystem)
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lattice_hex_Nslip = sum(lattice_hex_NslipSystem),& !< total # of slip systems for hex
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lattice_hex_Ntwin = sum(lattice_hex_NtwinSystem) !< total # of twin systems for hex
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integer(pInt), private :: &
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lattice_hex_Nstructure = 0_pInt
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!* sorted by A. Alankar & P. Eisenlohr
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real(pReal), dimension(4+4,lattice_hex_Nslip), parameter, private :: &
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lattice_hex_systemSlip = reshape(real([&
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! Basal systems <1120>{0001} (independent of c/a-ratio, Bravais notation (4 coordinate base))
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@ -486,12 +455,12 @@ module lattice
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2, -1, -1, -3, 1, 0, -1, 1, &
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! pyramidal system: c+a slip <11.-3>{11.2} -- as for hexagonal Ice (Castelnau et al 1996, similar to twin system found below)
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2, -1, -1, -3, 2, -1, -1, 2, & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
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1, 1, -2, -3, 1, 1, -2, 2, & ! not sorted, just copied from twin system
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1, 1, -2, -3, 1, 1, -2, 2, & ! sorted according to similar twin system
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-1, 2, -1, -3, -1, 2, -1, 2, &
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||||
-2, 1, 1, -3, -2, 1, 1, 2, &
|
||||
-1, -1, 2, -3, -1, -1, 2, 2, &
|
||||
1, -2, 1, -3, 1, -2, 1, 2 &
|
||||
],pReal),[ 4_pInt + 4_pInt,lattice_hex_Nslip])
|
||||
],pReal),[ 4_pInt + 4_pInt,lattice_hex_Nslip]) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
|
||||
|
||||
real(pReal), dimension(4+4,lattice_hex_Ntwin), parameter, private :: &
|
||||
lattice_hex_systemTwin = reshape(real([&
|
||||
|
|
@ -519,7 +488,7 @@ module lattice
|
|||
0, -1, 1, -2, 0, -1, 1, 1, &
|
||||
1, -1, 0, -2, 1, -1, 0, 1, &
|
||||
-1, 1, 0, -2, -1, 1, 0, 1 &
|
||||
],pReal),[ 4_pInt + 4_pInt ,lattice_hex_Ntwin]) !* Sort? Numbering of twin system follows Prof. Tom Bieler's scheme (to be consistent with his work); but numbering in data was restarted from 1 &
|
||||
],pReal),[ 4_pInt + 4_pInt ,lattice_hex_Ntwin]) !< twin systems for hex, order follows Prof. Tom Bieler's scheme; but numbering in data was restarted from 1
|
||||
|
||||
integer(pInt), dimension(lattice_hex_Ntwin), parameter, private :: &
|
||||
lattice_hex_shearTwin = reshape(int( [& ! indicator to formula further below
|
||||
|
|
@ -548,12 +517,6 @@ module lattice
|
|||
4, &
|
||||
4 &
|
||||
],pInt),[lattice_hex_Ntwin])
|
||||
|
||||
!* four different interaction type matrix
|
||||
!* 1. slip-slip interaction - 30 types
|
||||
!* 2. slip-twin interaction - 20 types
|
||||
!* 3. twin-twin interaction - 20 types
|
||||
!* 4. twin-slip interaction - 16 types
|
||||
|
||||
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Nslip), target, public :: &
|
||||
lattice_hex_interactionSlipSlip = reshape(int( [&
|
||||
|
|
@ -591,9 +554,8 @@ module lattice
|
|||
30,30,30, 29,29,29, 27,27,27,27,27,27, 24,24,24,24,24,24,24,24,24,24,24,24, 10,10,10, 5,10,10, &
|
||||
30,30,30, 29,29,29, 27,27,27,27,27,27, 24,24,24,24,24,24,24,24,24,24,24,24, 10,10,10,10, 5,10, &
|
||||
30,30,30, 29,29,29, 27,27,27,27,27,27, 24,24,24,24,24,24,24,24,24,24,24,24, 10,10,10,10,10, 5 &
|
||||
],pInt),[lattice_hex_Nslip,lattice_hex_Nslip],order=[2,1])
|
||||
],pInt),[lattice_hex_Nslip,lattice_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (30 in total)
|
||||
|
||||
!* isotropic interaction at the moment
|
||||
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Ntwin), target, public :: &
|
||||
lattice_hex_interactionSlipTwin = reshape(int( [&
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin
|
||||
|
|
@ -630,9 +592,8 @@ module lattice
|
|||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20 &
|
||||
],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin],order=[2,1])
|
||||
],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin],order=[2,1]) !< Slip--twin interaction types for hex (isotropic, 20 in total)
|
||||
|
||||
!* isotropic interaction at the moment
|
||||
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Nslip), target, public :: &
|
||||
lattice_hex_interactionTwinSlip = reshape(int( [&
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! --> slip
|
||||
|
|
@ -662,8 +623,7 @@ module lattice
|
|||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20 &
|
||||
],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip],order=[2,1])
|
||||
|
||||
],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip],order=[2,1]) !< Twin--twin interaction types for hex (isotropic, 20 in total)
|
||||
|
||||
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Ntwin), target, public :: &
|
||||
lattice_hex_interactionTwinTwin = reshape(int( [&
|
||||
|
|
@ -694,14 +654,12 @@ module lattice
|
|||
20,20,20,20,20,20, 19,19,19,19,19,19, 17,17,17,17,17,17, 8, 8, 8, 4, 8, 8, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 17,17,17,17,17,17, 8, 8, 8, 8, 4, 8, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 17,17,17,17,17,17, 8, 8, 8, 8, 8, 4 &
|
||||
],pInt),[lattice_hex_Ntwin,lattice_hex_Ntwin],order=[2,1])
|
||||
],pInt),[lattice_hex_Ntwin,lattice_hex_Ntwin],order=[2,1]) !< Twin--slip interaction types for hex (isotropic, 16 in total)
|
||||
|
||||
! Number of Non Schmid contributions for hex
|
||||
integer(pInt), parameter, private :: NnonSchmid_hex = 0_pInt
|
||||
integer(pInt), parameter, private :: NnonSchmid_hex = 0_pInt !< # of non-Schmid contributions for hex
|
||||
|
||||
! Tensor for each non schmid contribution
|
||||
real(pReal), dimension(3,3,2,NnonSchmid_hex,lattice_hex_Nslip), parameter, private :: &
|
||||
lattice_nonSchmid_hex = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_hex,lattice_hex_Nslip])
|
||||
lattice_nonSchmid_hex = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_hex,lattice_hex_Nslip]) !< Tensor for each non-Schmid contribution for hex
|
||||
|
||||
public :: &
|
||||
lattice_init, &
|
||||
|
|
@ -712,135 +670,44 @@ module lattice
|
|||
|
||||
contains
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Maps structure to symmetry type
|
||||
!> @details fcc(1) and bcc(2) are cubic(1) hex(3+) is hexagonal(2)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) pure function lattice_symmetryType(structName)
|
||||
|
||||
implicit none
|
||||
character(len=32), intent(in) :: structName
|
||||
|
||||
select case(structName(1:3))
|
||||
case ('fcc','bcc')
|
||||
lattice_symmetryType = 1_pInt
|
||||
case ('hex')
|
||||
lattice_symmetryType = 2_pInt
|
||||
case default
|
||||
lattice_symmetryType = 0_pInt
|
||||
end select
|
||||
|
||||
return
|
||||
|
||||
end function lattice_symmetryType
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Symmetrizes stiffness matrix according to lattice type
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_symmetrizeC66(structName,C66)
|
||||
|
||||
implicit none
|
||||
|
||||
character(len=32), intent(in) :: structName
|
||||
real(pReal), dimension(6,6), intent(in) :: C66
|
||||
real(pReal), dimension(6,6) :: lattice_symmetrizeC66
|
||||
integer(pInt) :: j,k
|
||||
|
||||
lattice_symmetrizeC66 = 0.0_pReal
|
||||
|
||||
select case(structName(1:3))
|
||||
case ('iso')
|
||||
forall(k=1_pInt:3_pInt)
|
||||
forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2)
|
||||
lattice_symmetrizeC66(k,k) = C66(1,1)
|
||||
lattice_symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
|
||||
end forall
|
||||
case ('fcc','bcc')
|
||||
forall(k=1_pInt:3_pInt)
|
||||
forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2)
|
||||
lattice_symmetrizeC66(k,k) = C66(1,1)
|
||||
lattice_symmetrizeC66(k+3_pInt,k+3_pInt) = C66(4,4)
|
||||
end forall
|
||||
case ('hex')
|
||||
lattice_symmetrizeC66(1,1) = C66(1,1)
|
||||
lattice_symmetrizeC66(2,2) = C66(1,1)
|
||||
lattice_symmetrizeC66(3,3) = C66(3,3)
|
||||
lattice_symmetrizeC66(1,2) = C66(1,2)
|
||||
lattice_symmetrizeC66(2,1) = C66(1,2)
|
||||
lattice_symmetrizeC66(1,3) = C66(1,3)
|
||||
lattice_symmetrizeC66(3,1) = C66(1,3)
|
||||
lattice_symmetrizeC66(2,3) = C66(1,3)
|
||||
lattice_symmetrizeC66(3,2) = C66(1,3)
|
||||
lattice_symmetrizeC66(4,4) = C66(4,4)
|
||||
lattice_symmetrizeC66(5,5) = C66(4,4)
|
||||
lattice_symmetrizeC66(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2))
|
||||
case ('ort')
|
||||
lattice_symmetrizeC66(1,1) = C66(1,1)
|
||||
lattice_symmetrizeC66(2,2) = C66(2,2)
|
||||
lattice_symmetrizeC66(3,3) = C66(3,3)
|
||||
lattice_symmetrizeC66(1,2) = C66(1,2)
|
||||
lattice_symmetrizeC66(2,1) = C66(1,2)
|
||||
lattice_symmetrizeC66(1,3) = C66(1,3)
|
||||
lattice_symmetrizeC66(3,1) = C66(1,3)
|
||||
lattice_symmetrizeC66(2,3) = C66(2,3)
|
||||
lattice_symmetrizeC66(3,2) = C66(2,3)
|
||||
lattice_symmetrizeC66(4,4) = C66(4,4)
|
||||
lattice_symmetrizeC66(5,5) = C66(5,5)
|
||||
lattice_symmetrizeC66(6,6) = C66(6,6)
|
||||
end select
|
||||
|
||||
return
|
||||
|
||||
end function lattice_symmetrizeC66
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Module initialization
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine lattice_init
|
||||
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
use IO, only: IO_open_file,&
|
||||
IO_open_jobFile_stat, &
|
||||
IO_countSections, &
|
||||
IO_countTagInPart, &
|
||||
IO_error, &
|
||||
IO_timeStamp
|
||||
use material, only: material_configfile, &
|
||||
material_localFileExt, &
|
||||
material_partPhase
|
||||
use debug, only: debug_level, &
|
||||
debug_lattice, &
|
||||
debug_levelBasic
|
||||
use IO, only: &
|
||||
IO_open_file,&
|
||||
IO_open_jobFile_stat, &
|
||||
IO_countSections, &
|
||||
IO_countTagInPart, &
|
||||
IO_error
|
||||
use material, only: &
|
||||
material_configfile, &
|
||||
material_localFileExt, &
|
||||
material_partPhase
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_lattice, &
|
||||
debug_levelBasic
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: fileunit = 200_pInt
|
||||
integer(pInt) :: Nsections
|
||||
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*)
|
||||
write(6,*) '<<<+- lattice init -+>>>'
|
||||
write(6,*) '$Id$'
|
||||
write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- lattice init -+>>>'
|
||||
write(6,'(a)') ' $Id$'
|
||||
#include "compilation_info.f90"
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present...
|
||||
call IO_open_file(fileunit,material_configFile) ! ... open material.config file
|
||||
endif
|
||||
Nsections = IO_countSections(fileunit,material_partPhase)
|
||||
lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
|
||||
! lattice_Nstructure = Nsections + 2_pInt ! most conservative assumption
|
||||
close(fileunit)
|
||||
|
||||
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(a16,1x,i5)') '# phases:',Nsections
|
||||
write(6,'(a16,1x,i5)') '# structures:',lattice_Nstructure
|
||||
write(6,*)
|
||||
!$OMP END CRITICAL (write2out)
|
||||
write(6,'(a16,1x,i5)') ' # phases:',Nsections
|
||||
write(6,'(a16,1x,i5,/)') ' # structures:',lattice_Nstructure
|
||||
endif
|
||||
|
||||
allocate(NnonSchmid(lattice_Nstructure)); NnonSchmid = 0_pInt
|
||||
|
|
@ -878,16 +745,17 @@ end subroutine lattice_init
|
|||
!> @brief Calculation of Schmid matrices, etc.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) function lattice_initializeStructure(struct,CoverA)
|
||||
use prec, only: pReal,pInt
|
||||
use math, only: math_vectorproduct, &
|
||||
math_tensorproduct, &
|
||||
math_norm3, &
|
||||
math_trace33, &
|
||||
math_symmetric33, &
|
||||
math_Mandel33to6, &
|
||||
math_axisAngleToR, &
|
||||
INRAD
|
||||
use IO, only: IO_error
|
||||
use math, only: &
|
||||
math_vectorproduct, &
|
||||
math_tensorproduct, &
|
||||
math_norm3, &
|
||||
math_trace33, &
|
||||
math_symmetric33, &
|
||||
math_Mandel33to6, &
|
||||
math_axisAngleToR, &
|
||||
INRAD
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
implicit none
|
||||
character(len=*) struct
|
||||
|
|
@ -1016,10 +884,10 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
|
|||
|
||||
if (processMe) then
|
||||
if (myStructure > lattice_Nstructure) &
|
||||
call IO_error(666_pInt,myStructure,ext_msg = 'structure index out of bounds') ! check for memory leakage
|
||||
do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
|
||||
lattice_sd(1:3,i,myStructure) = sd(1:3,i)/math_norm3(sd(1:3,i)) ! make unit vector
|
||||
lattice_sn(1:3,i,myStructure) = sn(1:3,i)/math_norm3(sn(1:3,i)) ! make unit vector
|
||||
call IO_error(666_pInt,myStructure,ext_msg = 'structure index out of bounds') ! check for memory leakage
|
||||
do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
|
||||
lattice_sd(1:3,i,myStructure) = sd(1:3,i)/math_norm3(sd(1:3,i)) ! make unit vector
|
||||
lattice_sn(1:3,i,myStructure) = sn(1:3,i)/math_norm3(sn(1:3,i)) ! make unit vector
|
||||
lattice_st(1:3,i,myStructure) = math_vectorproduct(lattice_sd(1:3,i,myStructure), &
|
||||
lattice_sn(1:3,i,myStructure))
|
||||
lattice_Sslip(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_sd(1:3,i,myStructure), &
|
||||
|
|
@ -1032,9 +900,9 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
|
|||
if (abs(math_trace33(lattice_Sslip(1:3,1:3,i,myStructure))) > 1.0e-8_pReal) &
|
||||
call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
|
||||
enddo
|
||||
do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
|
||||
lattice_td(1:3,i,myStructure) = td(1:3,i)/math_norm3(td(1:3,i)) ! make unit vector
|
||||
lattice_tn(1:3,i,myStructure) = tn(1:3,i)/math_norm3(tn(1:3,i)) ! make unit vector
|
||||
do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
|
||||
lattice_td(1:3,i,myStructure) = td(1:3,i)/math_norm3(td(1:3,i)) ! make unit vector
|
||||
lattice_tn(1:3,i,myStructure) = tn(1:3,i)/math_norm3(tn(1:3,i)) ! make unit vector
|
||||
lattice_tt(1:3,i,myStructure) = math_vectorproduct(lattice_td(1:3,i,myStructure), &
|
||||
lattice_tn(1:3,i,myStructure))
|
||||
lattice_Stwin(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_td(1:3,i,myStructure), &
|
||||
|
|
@ -1045,18 +913,99 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
|
|||
if (abs(math_trace33(lattice_Stwin(1:3,1:3,i,myStructure))) > 1.0e-8_pReal) &
|
||||
call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational twin Schmid matrix')
|
||||
enddo
|
||||
lattice_NslipSystem(1:lattice_maxNslipFamily,myStructure) = myNslipSystem ! number of slip systems in each family
|
||||
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myStructure) = myNtwinSystem ! number of twin systems in each family
|
||||
lattice_NslipSystem(1:lattice_maxNslipFamily,myStructure) = myNslipSystem ! number of slip systems in each family
|
||||
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myStructure) = myNtwinSystem ! number of twin systems in each family
|
||||
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myStructure) = interactionSlipSlip(1:myNslip,1:myNslip)
|
||||
lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myStructure) = interactionSlipTwin(1:myNslip,1:myNtwin)
|
||||
lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myStructure) = interactionTwinSlip(1:myNtwin,1:myNslip)
|
||||
lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myStructure) = interactionTwinTwin(1:myNtwin,1:myNtwin)
|
||||
endif
|
||||
|
||||
lattice_initializeStructure = myStructure ! report my structure index back
|
||||
lattice_initializeStructure = myStructure ! report my structure index back
|
||||
|
||||
end function lattice_initializeStructure
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Maps structure to symmetry type
|
||||
!> @details fcc(1) and bcc(2) are cubic(1) hex(3+) is hexagonal(2)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) pure function lattice_symmetryType(structName)
|
||||
|
||||
implicit none
|
||||
character(len=32), intent(in) :: structName
|
||||
|
||||
select case(structName(1:3))
|
||||
case ('fcc','bcc')
|
||||
lattice_symmetryType = 1_pInt
|
||||
case ('hex')
|
||||
lattice_symmetryType = 2_pInt
|
||||
case default
|
||||
lattice_symmetryType = 0_pInt
|
||||
end select
|
||||
|
||||
return
|
||||
|
||||
end function lattice_symmetryType
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Symmetrizes stiffness matrix according to lattice type
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function lattice_symmetrizeC66(structName,C66)
|
||||
|
||||
implicit none
|
||||
character(len=32), intent(in) :: structName
|
||||
real(pReal), dimension(6,6), intent(in) :: C66
|
||||
real(pReal), dimension(6,6) :: lattice_symmetrizeC66
|
||||
integer(pInt) :: j,k
|
||||
|
||||
lattice_symmetrizeC66 = 0.0_pReal
|
||||
|
||||
select case(structName(1:3))
|
||||
case ('iso')
|
||||
forall(k=1_pInt:3_pInt)
|
||||
forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2)
|
||||
lattice_symmetrizeC66(k,k) = C66(1,1)
|
||||
lattice_symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
|
||||
end forall
|
||||
case ('fcc','bcc')
|
||||
forall(k=1_pInt:3_pInt)
|
||||
forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2)
|
||||
lattice_symmetrizeC66(k,k) = C66(1,1)
|
||||
lattice_symmetrizeC66(k+3_pInt,k+3_pInt) = C66(4,4)
|
||||
end forall
|
||||
case ('hex')
|
||||
lattice_symmetrizeC66(1,1) = C66(1,1)
|
||||
lattice_symmetrizeC66(2,2) = C66(1,1)
|
||||
lattice_symmetrizeC66(3,3) = C66(3,3)
|
||||
lattice_symmetrizeC66(1,2) = C66(1,2)
|
||||
lattice_symmetrizeC66(2,1) = C66(1,2)
|
||||
lattice_symmetrizeC66(1,3) = C66(1,3)
|
||||
lattice_symmetrizeC66(3,1) = C66(1,3)
|
||||
lattice_symmetrizeC66(2,3) = C66(1,3)
|
||||
lattice_symmetrizeC66(3,2) = C66(1,3)
|
||||
lattice_symmetrizeC66(4,4) = C66(4,4)
|
||||
lattice_symmetrizeC66(5,5) = C66(4,4)
|
||||
lattice_symmetrizeC66(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2))
|
||||
case ('ort')
|
||||
lattice_symmetrizeC66(1,1) = C66(1,1)
|
||||
lattice_symmetrizeC66(2,2) = C66(2,2)
|
||||
lattice_symmetrizeC66(3,3) = C66(3,3)
|
||||
lattice_symmetrizeC66(1,2) = C66(1,2)
|
||||
lattice_symmetrizeC66(2,1) = C66(1,2)
|
||||
lattice_symmetrizeC66(1,3) = C66(1,3)
|
||||
lattice_symmetrizeC66(3,1) = C66(1,3)
|
||||
lattice_symmetrizeC66(2,3) = C66(2,3)
|
||||
lattice_symmetrizeC66(3,2) = C66(2,3)
|
||||
lattice_symmetrizeC66(4,4) = C66(4,4)
|
||||
lattice_symmetrizeC66(5,5) = C66(5,5)
|
||||
lattice_symmetrizeC66(6,6) = C66(6,6)
|
||||
end select
|
||||
|
||||
end function lattice_symmetrizeC66
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Number of parameters to expect in material.config section
|
||||
! NslipFamilies
|
||||
|
|
@ -1073,7 +1022,7 @@ function lattice_configNchunks(struct)
|
|||
integer(pInt), dimension(6) :: lattice_configNchunks
|
||||
character(len=*), intent(in) :: struct
|
||||
|
||||
select case(struct(1:3)) ! check first three chars of structure name
|
||||
select case(struct(1:3)) ! check first three chars of structure name
|
||||
case ('fcc')
|
||||
lattice_configNchunks(1) = count(lattice_fcc_NslipSystem > 0_pInt)
|
||||
lattice_configNchunks(2) = count(lattice_fcc_NtwinSystem > 0_pInt)
|
||||
|
|
|
|||
Loading…
Reference in New Issue