doxygen comments
This commit is contained in:
Martin Diehl
parent
1f86e098ba
commit
42b96354db
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@ -16,106 +16,111 @@
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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: CRYSTALLITE *
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!***************************************
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!* contains: *
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!* - _init *
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!* - materialpoint_stressAndItsTangent *
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!* - _partitionDeformation *
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!* - _updateState *
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!* - _stressAndItsTangent *
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!* - _postResults *
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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 Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief crystallite state integration functions and reporting of results
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!--------------------------------------------------------------------------------------------------
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module crystallite
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use prec, only: pReal, pInt
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implicit none
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private :: crystallite_integrateStateFPI, &
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crystallite_integrateStateEuler, &
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crystallite_integrateStateAdaptiveEuler, &
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crystallite_integrateStateRK4, &
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crystallite_integrateStateRKCK45, &
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crystallite_integrateStress, &
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crystallite_stateJump
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external :: dgesv
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! ****************************************************************
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! *** General variables for the crystallite calculation ***
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! ****************************************************************
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integer(pInt) crystallite_maxSizePostResults
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integer(pInt), dimension(:), allocatable :: crystallite_sizePostResults
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integer(pInt), dimension(:,:), allocatable :: crystallite_sizePostResult
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character(len=64), dimension(:,:), allocatable :: crystallite_output !< name of each post result output
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integer(pInt), dimension (:,:,:), allocatable :: &
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private
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character(len=64), dimension(:,:), allocatable, private :: &
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crystallite_output !< name of each post result output
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integer(pInt), public, protected :: &
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crystallite_maxSizePostResults
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integer(pInt), dimension(:), allocatable, public, protected :: &
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crystallite_sizePostResults
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integer(pInt), dimension(:,:), allocatable, private :: &
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crystallite_sizePostResult
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integer(pInt), dimension(:,:,:), allocatable, private :: &
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crystallite_symmetryID !< crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs
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real(pReal), dimension (:,:,:), allocatable :: &
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real(pReal), dimension (:,:,:), allocatable, public :: &
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crystallite_dt, & !< requested time increment of each grain
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crystallite_Temperature, & !< Temp of each grain
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crystallite_partionedTemperature0 !< Temp of each grain at start of homog inc
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real(pReal), dimension (:,:,:), allocatable, private :: &
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crystallite_subdt, & !< substepped time increment of each grain
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crystallite_subFrac, & !< already calculated fraction of increment
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crystallite_subStep, & !< size of next integration step
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crystallite_Temperature, & !< Temp of each grain
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crystallite_partionedTemperature0, & !< Temp of each grain at start of homog inc
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crystallite_subTemperature0, & !< Temp of each grain at start of crystallite inc
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crystallite_dotTemperature !< evolution of Temperature of each grain
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real(pReal), dimension (:,:,:,:), allocatable :: &
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real(pReal), dimension (:,:,:,:), allocatable, public :: &
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crystallite_Tstar_v, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
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crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_partionedTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of homog inc
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crystallite_partionedTstar0_v !< 2nd Piola-Kirchhoff stress vector at start of homog inc
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real(pReal), dimension (:,:,:,:), allocatable, private :: &
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crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_orientation, & !< orientation as quaternion
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crystallite_orientation0, & !< initial orientation as quaternion
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crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees) in crystal reference frame
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real(pReal), dimension (:,:,:,:,:), allocatable :: &
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crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
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crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
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real(pReal), dimension (:,:,:,:,:), allocatable, public :: &
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crystallite_Fp, & !< current plastic def grad (end of converged time step)
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crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
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crystallite_Fp0, & !< plastic def grad at start of FE inc
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crystallite_partionedFp0,& !< plastic def grad at start of homog inc
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crystallite_subFp0,& !< plastic def grad at start of crystallite inc
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crystallite_F0, & !< def grad at start of FE inc
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crystallite_partionedF, & !< def grad to be reached at end of homog inc
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crystallite_partionedF0, & !< def grad at start of homog inc
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crystallite_subF, & !< def grad to be reached at end of crystallite inc
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crystallite_subF0, & !< def grad at start of crystallite inc
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crystallite_Lp, & !< current plastic velocitiy grad (end of converged time step)
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crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc
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crystallite_partionedLp0,& !< plastic velocity grad at start of homog inc
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crystallite_P !< 1st Piola-Kirchhoff stress per grain
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real(pReal), dimension (:,:,:,:,:), allocatable, private :: &
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crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
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crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
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crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
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crystallite_subFp0,& !< plastic def grad at start of crystallite inc
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crystallite_subF, & !< def grad to be reached at end of crystallite inc
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crystallite_subF0, & !< def grad at start of crystallite inc
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crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
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crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
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crystallite_disorientation !< disorientation between two neighboring ips (only calculated for single grain IPs)
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real(pReal), dimension (:,:,:,:,:,:,:), allocatable :: &
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real(pReal), dimension (:,:,:,:,:,:,:), allocatable, public :: &
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crystallite_dPdF, & !< current individual dPdF per grain (end of converged time step)
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crystallite_dPdF0, & !< individual dPdF per grain at start of FE inc
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crystallite_partioneddPdF0, & !< individual dPdF per grain at start of homog inc
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crystallite_partioneddPdF0 !< individual dPdF per grain at start of homog inc
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real(pReal), dimension (:,:,:,:,:,:,:), allocatable, private :: &
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crystallite_fallbackdPdF !< dPdF fallback for non-converged grains (elastic prediction)
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logical, dimension (:,:,:), allocatable :: &
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crystallite_localPlasticity, & !< indicates this grain to have purely local constitutive law
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crystallite_requested, & !< flag to request crystallite calculation
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crystallite_todo, & !< flag to indicate need for further computation
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logical, dimension (:,:,:), allocatable, public :: &
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crystallite_requested !< flag to request crystallite calculation
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logical, dimension (:,:,:), allocatable, public, protected :: &
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crystallite_converged !< convergence flag
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logical, dimension (:,:), allocatable :: &
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logical, dimension (:,:,:), allocatable, private :: &
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crystallite_localPlasticity, & !< indicates this grain to have purely local constitutive law
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crystallite_todo !< flag to indicate need for further computation
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logical, dimension (:,:), allocatable, private :: &
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crystallite_clearToWindForward, &
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crystallite_clearToCutback, &
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crystallite_syncSubFrac, &
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crystallite_syncSubFracCompleted, &
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crystallite_neighborEnforcedCutback
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public :: &
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crystallite_init, &
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crystallite_stressAndItsTangent, &
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crystallite_orientations, &
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crystallite_postResults
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private :: &
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crystallite_integrateStateFPI, &
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crystallite_integrateStateEuler, &
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crystallite_integrateStateAdaptiveEuler, &
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crystallite_integrateStateRK4, &
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crystallite_integrateStateRKCK45, &
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crystallite_integrateStress, &
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crystallite_stateJump
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contains
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!********************************************************************
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! allocate and initialize per grain variables
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief allocates and initialize per grain variables
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_init(Temperature)
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!*** variables and functions from other modules ***!
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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: debug_info, &
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debug_reset, &
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@ -149,12 +154,10 @@ subroutine crystallite_init(Temperature)
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constitutive_nonlocal_structureName
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implicit none
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real(pReal), intent(in) :: Temperature
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integer(pInt), parameter :: myFile = 200_pInt, &
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maxNchunks = 2_pInt
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!*** input variables ***!
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real(pReal) Temperature
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!*** local variables ***!
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt) g, & ! grain number
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@ -175,13 +178,9 @@ subroutine crystallite_init(Temperature)
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character(len=64) tag
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character(len=1024) line
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!$OMP CRITICAL (write2out)
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write(6,*)
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write(6,*) '<<<+- crystallite init -+>>>'
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write(6,*) '$Id$'
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write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
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write(6,'(a)') ' $Id$'
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#include "compilation_info.f90"
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!$OMP END CRITICAL (write2out)
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gMax = homogenization_maxNgrains
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@ -384,9 +383,8 @@ crystallite_orientation0 = crystallite_orientation ! Store initial o
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call crystallite_stressAndItsTangent(.true.,.false.) ! request elastic answers
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crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
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! *** Output to MARC output file ***
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! *** Output ***
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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!$OMP CRITICAL (write2out)
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write(6,'(a35,1x,7(i8,1x))') 'crystallite_Temperature: ', shape(crystallite_Temperature)
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write(6,'(a35,1x,7(i8,1x))') 'crystallite_dotTemperature: ', shape(crystallite_dotTemperature)
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write(6,'(a35,1x,7(i8,1x))') 'crystallite_Fe: ', shape(crystallite_Fe)
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@ -433,7 +431,6 @@ if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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write(6,*)
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write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localPlasticity)
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flush(6)
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!$OMP END CRITICAL (write2out)
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endif
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call debug_info
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@ -442,13 +439,10 @@ endif
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end subroutine crystallite_init
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!********************************************************************
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! calculate stress (P) and tangent (dPdF) for crystallites
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate stress (P) and tangent (dPdF) for crystallites
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
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!*** variables and functions from other modules ***!
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use numerics, only: subStepMinCryst, &
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subStepSizeCryst, &
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stepIncreaseCryst, &
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@ -502,9 +496,7 @@ use constitutive, only: constitutive_sizeState, &
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implicit none
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!*** input variables ***!
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logical, intent(in) :: updateJaco, rate_sensitivity ! flag indicating wehther we want to update the Jacobian (stiffness) or not
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!*** local variables ***!
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real(pReal) myPert, & ! perturbation with correct sign
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formerSubStep, &
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subFracIntermediate
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@ -1237,14 +1229,10 @@ endif
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end subroutine crystallite_stressAndItsTangent
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!********************************************************************
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! integrate stress, state and Temperature with
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! 4h order explicit Runge Kutta method
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state and Temperature with 4th order explicit Runge Kutta method
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateRK4(gg,ii,ee)
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!*** variables and functions from other modules ***!
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use prec, only: pInt, &
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pReal
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use numerics, only: numerics_integrationMode
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@ -1512,15 +1500,11 @@ endif
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end subroutine crystallite_integrateStateRK4
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!********************************************************************
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! integrate stress, state and Temperature with
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! 5th order Runge-Kutta Cash-Karp method with adaptive step size
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! (use 5th order solution to advance = "local extrapolation")
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state and Temperature with 5th order Runge-Kutta Cash-Karp method with
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!> adaptive step size (use 5th order solution to advance = "local extrapolation")
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateRKCK45(gg,ii,ee)
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!*** variables and functions from other modules ***!
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use debug, only: debug_level, &
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debug_crystallite, &
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debug_levelBasic, &
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@ -2035,14 +2019,10 @@ endif
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end subroutine crystallite_integrateStateRKCK45
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!********************************************************************
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! integrate stress, state and Temperature with
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! 1nd order Euler method with adaptive step size
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state and Temperature with 1st order Euler method with adaptive step size
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateAdaptiveEuler(gg,ii,ee)
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!*** variables and functions from other modules ***!
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use debug, only: debug_level, &
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debug_crystallite, &
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debug_levelBasic, &
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@ -2074,7 +2054,6 @@ use constitutive, only: constitutive_sizeDotState, &
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implicit none
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!*** input variables ***!
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integer(pInt), optional, intent(in):: ee, & ! element index
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ii, & ! integration point index
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@ -2355,14 +2334,10 @@ endif
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end subroutine crystallite_integrateStateAdaptiveEuler
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!********************************************************************
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! integrate stress, state and Temperature with
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! 1st order explicit Euler method
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state and Temperature with 1st order explicit Euler method
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateEuler(gg,ii,ee)
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!*** variables and functions from other modules ***!
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use numerics, only: numerics_integrationMode, &
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numerics_timeSyncing
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use debug, only: debug_level, &
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@ -2563,15 +2538,11 @@ endif
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end subroutine crystallite_integrateStateEuler
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!********************************************************************
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! integrate stress, state and Temperature with
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! adaptive 1st order explicit Euler method
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! using Fixed Point Iteration to adapt the stepsize
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief integrate stress, state and Temperature with adaptive 1st order explicit Euler method
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!> using Fixed Point Iteration to adapt the stepsize
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_integrateStateFPI(gg,ii,ee)
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!*** variables and functions from other modules ***!
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use debug, only: debug_e, &
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debug_i, &
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debug_g, &
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@ -2603,14 +2574,10 @@ use constitutive, only: constitutive_subState0, &
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constitutive_aTolState
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implicit none
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!*** input variables ***!
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integer(pInt), optional, intent(in):: ee, & ! element index
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ii, & ! integration point index
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gg ! grain index
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!*** output variables ***!
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!*** local variables ***!
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integer(pInt) NiterationState, & ! number of iterations in state loop
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e, & ! element index in element loop
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@ -2911,18 +2878,13 @@ do while (any(crystallite_todo .and. .not. crystallite_converged) .and. Niterati
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enddo ! crystallite convergence loop
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end subroutine crystallite_integrateStateFPI
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!***********************************************************
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!* calculates a jump in the state according to the current *
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!* state and the current stress *
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!***********************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates a jump in the state according to the current state and the current stress
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!--------------------------------------------------------------------------------------------------
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function crystallite_stateJump(g,i,e)
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!*** variables and functions from other modules ***!
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use debug, only: debug_level, &
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debug_crystallite, &
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debug_levelExtensive, &
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@ -2942,8 +2904,6 @@ use constitutive, only: constitutive_sizeDotState, &
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constitutive_microstructure
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implicit none
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!*** input variables ***!
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integer(pInt), intent(in):: e, & ! element index
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i, & ! integration point index
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g ! grain index
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@ -2987,19 +2947,16 @@ end function crystallite_stateJump
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!***********************************************************************
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!*** calculation of stress (P) with time integration ***
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!*** based on a residuum in Lp and intermediate ***
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!*** acceleration of the Newton-Raphson correction ***
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!***********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
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!> intermediate acceleration of the Newton-Raphson correction
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!--------------------------------------------------------------------------------------------------
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function crystallite_integrateStress(&
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g,& ! grain number
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i,& ! integration point number
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e,& ! element number
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timeFraction &
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)
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use prec, only: pLongInt
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use numerics, only: nStress, &
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aTol_crystalliteStress, &
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@ -3040,8 +2997,6 @@ use math, only: math_mul33x33, &
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math_Plain9to33
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implicit none
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||||
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||||
!*** input variables ***!
|
||||
integer(pInt), intent(in):: e, & ! element index
|
||||
i, & ! integration point index
|
||||
g ! grain index
|
||||
|
|
@ -3094,7 +3049,7 @@ integer(pLongInt) tick, &
|
|||
tock, &
|
||||
tickrate, &
|
||||
maxticks
|
||||
|
||||
external :: dgesv
|
||||
|
||||
!* be pessimistic
|
||||
|
||||
|
|
@ -3349,14 +3304,10 @@ endif
|
|||
end function crystallite_integrateStress
|
||||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
! calculates orientations and disorientations (in case of single grain ips)
|
||||
!********************************************************************
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates orientations and disorientations (in case of single grain ips)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine crystallite_orientations
|
||||
|
||||
!*** variables and functions from other modules ***!
|
||||
|
||||
use math, only: math_pDecomposition, &
|
||||
math_RtoQ, &
|
||||
math_qDisorientation, &
|
||||
|
|
@ -3376,12 +3327,6 @@ use constitutive_nonlocal, only: constitutive_nonlocal_structure, &
|
|||
constitutive_nonlocal_updateCompatibility
|
||||
|
||||
implicit none
|
||||
|
||||
!*** input variables ***!
|
||||
|
||||
!*** output variables ***!
|
||||
|
||||
!*** local variables ***!
|
||||
integer(pInt) e, & ! element index
|
||||
i, & ! integration point index
|
||||
g, & ! grain index
|
||||
|
|
@ -3475,17 +3420,15 @@ end subroutine crystallite_orientations
|
|||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
! return results of particular grain
|
||||
!********************************************************************
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return results of particular grain
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function crystallite_postResults(&
|
||||
dt,& ! time increment
|
||||
g,& ! grain number
|
||||
i,& ! integration point number
|
||||
e & ! element number
|
||||
)
|
||||
|
||||
!*** variables and functions from other modules ***!
|
||||
use math, only: math_qToEuler, &
|
||||
math_qToAxisAngle, &
|
||||
math_mul33x33, &
|
||||
|
|
@ -3508,8 +3451,6 @@ function crystallite_postResults(&
|
|||
constitutive_homogenizedC
|
||||
|
||||
implicit none
|
||||
|
||||
!*** input variables ***!
|
||||
integer(pInt), intent(in):: e, & ! element index
|
||||
i, & ! integration point index
|
||||
g ! grain index
|
||||
|
|
@ -3622,7 +3563,4 @@ function crystallite_postResults(&
|
|||
|
||||
end function crystallite_postResults
|
||||
|
||||
|
||||
END MODULE
|
||||
!##############################################################
|
||||
|
||||
end module crystallite
|
||||
|
|
|
|||
Loading…
Reference in New Issue