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DAMASK_EICMD/src/lattice.f90

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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
polished sanity checks + documentation
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!> @brief contains lattice structure definitions including Schmid matrices for slip, twin, trans,
! and cleavage as well as interaction among the various systems
Fixed issue with previous commit
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!--------------------------------------------------------------------------------------------------
module lattice
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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use prec
use IO
use config
use math
getting rid of conversions with unclear behavior
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use rotations
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implicit none
private
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checking for required things
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! BEGIN DEPRECATED
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integer, parameter, public :: &
LATTICE_maxNcleavageFamily = 3 !< max # of transformation system families over lattice structures
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integer, allocatable, dimension(:,:), protected, public :: &
lattice_NcleavageSystem !< total # of transformation systems in each family
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real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
lattice_Scleavage !< Schmid matrices for cleavage systems
commenting
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! END DEPRECATED
ordered by dimension and set private where possible
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! face centered cubic
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(2), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_FCC_NSLIPSYSTEM = [12, 6] !< # of slip systems per family for fcc
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(1), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_FCC_NTWINSYSTEM = [12] !< # of twin systems per family for fcc
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(1), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_FCC_NTRANSSYSTEM = [12] !< # of transformation systems per family for fcc
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(2), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_FCC_NCLEAVAGESYSTEM = [3, 4] !< # of cleavage systems per family for fcc
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, parameter :: &
PGI does not allow sum in init for parameter
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#ifndef __PGI
labels were not used better use automated labeling of all systems
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LATTICE_FCC_NSLIP = sum(LATTICE_FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc
LATTICE_FCC_NTWIN = sum(LATTICE_FCC_NTWINSYSTEM), & !< total # of twin systems for fcc
LATTICE_FCC_NTRANS = sum(LATTICE_FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc
LATTICE_FCC_NCLEAVAGE = sum(LATTICE_FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc
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#else
LATTICE_FCC_NSLIP = 18, &
LATTICE_FCC_NTWIN = 12, &
LATTICE_FCC_NTRANS = 12, &
LATTICE_FCC_NCLEAVAGE = 7
#endif
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_FCC_NSLIP), parameter :: &
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LATTICE_FCC_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal ! SCHMID-BOAS notation
0, 1,-1, 1, 1, 1, & ! B2
-1, 0, 1, 1, 1, 1, & ! B4
1,-1, 0, 1, 1, 1, & ! B5
0,-1,-1, -1,-1, 1, & ! C1
1, 0, 1, -1,-1, 1, & ! C3
-1, 1, 0, -1,-1, 1, & ! C5
0,-1, 1, 1,-1,-1, & ! A2
-1, 0,-1, 1,-1,-1, & ! A3
1, 1, 0, 1,-1,-1, & ! A6
0, 1, 1, -1, 1,-1, & ! D1
1, 0,-1, -1, 1,-1, & ! D4
-1,-1, 0, -1, 1,-1, & ! D6
! Slip system <110>{110}
1, 1, 0, 1,-1, 0, &
1,-1, 0, 1, 1, 0, &
1, 0, 1, 1, 0,-1, &
1, 0,-1, 1, 0, 1, &
0, 1, 1, 0, 1,-1, &
0, 1,-1, 0, 1, 1 &
],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_FCC_NTWIN), parameter :: &
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LATTICE_FCC_SYSTEMTWIN = reshape(real( [&
-2, 1, 1, 1, 1, 1, &
1,-2, 1, 1, 1, 1, &
1, 1,-2, 1, 1, 1, &
2,-1, 1, -1,-1, 1, &
-1, 2, 1, -1,-1, 1, &
-1,-1,-2, -1,-1, 1, &
-2,-1,-1, 1,-1,-1, &
1, 2,-1, 1,-1,-1, &
1,-1, 2, 1,-1,-1, &
2, 1,-1, -1, 1,-1, &
-1,-2,-1, -1, 1,-1, &
-1, 1, 2, -1, 1,-1 &
],pReal),shape(LATTICE_FCC_SYSTEMTWIN)) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(2,LATTICE_FCC_NTWIN), parameter, public :: &
LATTICE_FCC_TWINNUCLEATIONSLIPPAIR = reshape( [&
2,3, &
1,3, &
1,2, &
5,6, &
4,6, &
4,5, &
8,9, &
7,9, &
7,8, &
11,12, &
10,12, &
10,11 &
],shape(LATTICE_FCC_TWINNUCLEATIONSLIPPAIR))
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_FCC_NCLEAVAGE), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_FCC_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1, &
0, 1,-1, 1, 1, 1, &
0,-1,-1, -1,-1, 1, &
-1, 0,-1, 1,-1,-1, &
0, 1, 1, -1, 1,-1 &
],pReal),shape(LATTICE_FCC_SYSTEMCLEAVAGE))
clearer structure
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Fixed issue with previous commit
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!--------------------------------------------------------------------------------------------------
fix merging conflict
2016-04-26 23:53:05 +05:30
! body centered cubic
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(2), parameter :: &
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LATTICE_BCC_NSLIPSYSTEM = [12, 12] !< # of slip systems per family for bcc
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(1), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCC_NTWINSYSTEM = [12] !< # of twin systems per family for bcc
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(2), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCC_NCLEAVAGESYSTEM = [3, 6] !< # of cleavage systems per family for bcc
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, parameter :: &
PGI does not allow sum in init for parameter
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#ifndef __PGI
labels were not used better use automated labeling of all systems
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LATTICE_BCC_NSLIP = sum(LATTICE_BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc
LATTICE_BCC_NTWIN = sum(LATTICE_BCC_NTWINSYSTEM), & !< total # of twin systems for bcc
LATTICE_BCC_NCLEAVAGE = sum(LATTICE_BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc
PGI does not allow sum in init for parameter
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#else
LATTICE_BCC_NSLIP = 24, &
LATTICE_BCC_NTWIN = 12, &
LATTICE_BCC_NCLEAVAGE = 9
#endif
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_BCC_NSLIP), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCC_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal
! Slip system <111>{110}
1,-1, 1, 0, 1, 1, &
-1,-1, 1, 0, 1, 1, &
1, 1, 1, 0,-1, 1, &
-1, 1, 1, 0,-1, 1, &
-1, 1, 1, 1, 0, 1, &
-1,-1, 1, 1, 0, 1, &
1, 1, 1, -1, 0, 1, &
1,-1, 1, -1, 0, 1, &
-1, 1, 1, 1, 1, 0, &
-1, 1,-1, 1, 1, 0, &
1, 1, 1, -1, 1, 0, &
1, 1,-1, -1, 1, 0, &
! Slip system <111>{112}
-1, 1, 1, 2, 1, 1, &
1, 1, 1, -2, 1, 1, &
1, 1,-1, 2,-1, 1, &
1,-1, 1, 2, 1,-1, &
1,-1, 1, 1, 2, 1, &
1, 1,-1, -1, 2, 1, &
1, 1, 1, 1,-2, 1, &
-1, 1, 1, 1, 2,-1, &
1, 1,-1, 1, 1, 2, &
1,-1, 1, -1, 1, 2, &
-1, 1, 1, 1,-1, 2, &
1, 1, 1, 1, 1,-2 &
],pReal),shape(LATTICE_BCC_SYSTEMSLIP))
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_BCC_NTWIN), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCC_SYSTEMTWIN = reshape(real([&
! Twin system <111>{112}
-1, 1, 1, 2, 1, 1, &
1, 1, 1, -2, 1, 1, &
1, 1,-1, 2,-1, 1, &
1,-1, 1, 2, 1,-1, &
1,-1, 1, 1, 2, 1, &
1, 1,-1, -1, 2, 1, &
1, 1, 1, 1,-2, 1, &
-1, 1, 1, 1, 2,-1, &
1, 1,-1, 1, 1, 2, &
1,-1, 1, -1, 1, 2, &
-1, 1, 1, 1,-1, 2, &
1, 1, 1, 1, 1,-2 &
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],pReal),shape(LATTICE_BCC_SYSTEMTWIN))
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_BCC_NCLEAVAGE), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCC_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1, &
1,-1, 1, 0, 1, 1, &
1, 1, 1, 0,-1, 1, &
-1, 1, 1, 1, 0, 1, &
1, 1, 1, -1, 0, 1, &
-1, 1, 1, 1, 1, 0, &
1, 1, 1, -1, 1, 0 &
],pReal),shape(LATTICE_BCC_SYSTEMCLEAVAGE))
clearer structure
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! hexagonal
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(6), parameter :: &
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LATTICE_HEX_NSLIPSYSTEM = [3, 3, 3, 6, 12, 6] !< # of slip systems per family for hex
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(4), parameter :: &
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LATTICE_HEX_NTWINSYSTEM = [6, 6, 6, 6] !< # of slip systems per family for hex
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(1), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_HEX_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for hex
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
2019-05-17 02:26:48 +05:30
integer, parameter :: &
PGI does not allow sum in init for parameter
2020-01-04 05:34:20 +05:30
#ifndef __PGI
labels were not used better use automated labeling of all systems
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LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSYSTEM), & !< total # of slip systems for hex
LATTICE_HEX_NTWIN = sum(LATTICE_HEX_NTWINSYSTEM), & !< total # of twin systems for hex
LATTICE_HEX_NCLEAVAGE = sum(LATTICE_HEX_NCLEAVAGESYSTEM) !< total # of cleavage systems for hex
PGI does not allow sum in init for parameter
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#else
LATTICE_HEX_NSLIP = 33, &
LATTICE_HEX_NTWIN = 24, &
LATTICE_HEX_NCLEAVAGE = 3
#endif
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_HEX_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal
more useful order
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! Basal systems <-1-1.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
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2, -1, -1, 0, 0, 0, 0, 1, &
-1, 2, -1, 0, 0, 0, 0, 1, &
-1, -1, 2, 0, 0, 0, 0, 1, &
more useful order
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! 1st type prismatic systems <-1-1.0>{1-1.0} (independent of c/a-ratio)
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2, -1, -1, 0, 0, 1, -1, 0, &
-1, 2, -1, 0, -1, 0, 1, 0, &
-1, -1, 2, 0, 1, -1, 0, 0, &
more useful order
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! 2nd type prismatic systems <-11.0>{11.0} -- a slip; plane normals independent of c/a-ratio
-1, 1, 0, 0, 1, 1, -2, 0, &
0, -1, 1, 0, -2, 1, 1, 0, &
1, 0, -1, 0, 1, -2, 1, 0, &
! 1st type 1st order pyramidal systems <-1-1.0>{-11.1} -- plane normals depend on the c/a-ratio
-1, 2, -1, 0, 1, 0, -1, 1, &
-2, 1, 1, 0, 0, 1, -1, 1, &
-1, -1, 2, 0, -1, 1, 0, 1, &
1, -2, 1, 0, -1, 0, 1, 1, &
2, -1, -1, 0, 0, -1, 1, 1, &
1, 1, -2, 0, 1, -1, 0, 1, &
to transpose already when constructing the interaction matrix
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! pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio
-2, 1, 1, 3, 1, 0, -1, 1, &
more useful order
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-1, -1, 2, 3, 1, 0, -1, 1, &
-1, -1, 2, 3, 0, 1, -1, 1, &
1, -2, 1, 3, 0, 1, -1, 1, &
1, -2, 1, 3, -1, 1, 0, 1, &
2, -1, -1, 3, -1, 1, 0, 1, &
2, -1, -1, 3, -1, 0, 1, 1, &
1, 1, -2, 3, -1, 0, 1, 1, &
to transpose already when constructing the interaction matrix
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1, 1, -2, 3, 0, -1, 1, 1, &
more useful order
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-1, 2, -1, 3, 0, -1, 1, 1, &
to transpose already when constructing the interaction matrix
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-1, 2, -1, 3, 1, -1, 0, 1, &
more useful order
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-2, 1, 1, 3, 1, -1, 0, 1, &
to transpose already when constructing the interaction matrix
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! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
clearer structure
2020-02-25 22:02:49 +05:30
-1, -1, 2, 3, 1, 1, -2, 2, & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
to transpose already when constructing the interaction matrix
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1, -2, 1, 3, -1, 2, -1, 2, &
more useful order
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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, &
-2, 1, 1, 3, 2, -1, -1, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
2019-05-17 02:26:48 +05:30
real(pReal), dimension(4+4,LATTICE_HEX_NTWIN), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_HEX_SYSTEMTWIN = reshape(real([&
more useful order
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! Compression or Tension = f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
-1, 0, 1, 1, 1, 0, -1, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
0, -1, 1, 1, 0, 1, -1, 2, &
1, -1, 0, 1, -1, 1, 0, 2, &
1, 0, -1, 1, -1, 0, 1, 2, &
to transpose already when constructing the interaction matrix
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0, 1, -1, 1, 0, -1, 1, 2, &
-1, 1, 0, 1, 1, -1, 0, 2, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!
more useful order
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-1, -1, 2, 6, 1, 1, -2, 1, & ! <11.6>{-1-1.1} shear = 1/(c/a)
to transpose already when constructing the interaction matrix
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1, -2, 1, 6, -1, 2, -1, 1, &
more useful order
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2, -1, -1, 6, -2, 1, 1, 1, &
to transpose already when constructing the interaction matrix
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1, 1, -2, 6, -1, -1, 2, 1, &
more useful order
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-1, 2, -1, 6, 1, -2, 1, 1, &
-2, 1, 1, 6, 2, -1, -1, 1, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!
more useful order
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1, 0, -1, -2, 1, 0, -1, 1, & ! <10.-2>{10.1} shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
0, 1, -1, -2, 0, 1, -1, 1, &
-1, 1, 0, -2, -1, 1, 0, 1, &
-1, 0, 1, -2, -1, 0, 1, 1, &
to transpose already when constructing the interaction matrix
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0, -1, 1, -2, 0, -1, 1, 1, &
1, -1, 0, -2, 1, -1, 0, 1, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!
more useful order
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1, 1, -2, -3, 1, 1, -2, 2, & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
to transpose already when constructing the interaction matrix
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-1, 2, -1, -3, -1, 2, -1, 2, &
-2, 1, 1, -3, -2, 1, 1, 2, &
more useful order
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-1, -1, 2, -3, -1, -1, 2, 2, &
to transpose already when constructing the interaction matrix
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1, -2, 1, -3, 1, -2, 1, 2, &
more useful order
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2, -1, -1, -3, 2, -1, -1, 2 &
],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(4+4,LATTICE_HEX_NCLEAVAGE), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_HEX_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal
2,-1,-1, 0, 0, 0, 0, 1, &
0, 0, 0, 1, 2,-1,-1, 0, &
0, 0, 0, 1, 0, 1,-1, 0 &
],pReal),shape(LATTICE_HEX_SYSTEMCLEAVAGE))
clearer structure
2020-02-25 22:02:49 +05:30
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! body centered tetragonal
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(13), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, parameter :: &
PGI does not allow sum in init for parameter
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#ifndef __PGI
labels were not used better use automated labeling of all systems
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LATTICE_BCT_NSLIP = sum(LATTICE_BCT_NSLIPSYSTEM) !< total # of slip systems for bct
PGI does not allow sum in init for parameter
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#else
LATTICE_BCT_NSLIP = 52
#endif
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_BCT_NSLIP), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_BCT_SYSTEMSLIP = reshape(real([&
! Slip direction Plane normal
! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456)
0, 0, 1, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
! Slip family 2 {110)<001]
0, 0, 1, 1, 1, 0, &
0, 0, 1, -1, 1, 0, &
! slip family 3 {100)<010]
0, 1, 0, 1, 0, 0, &
1, 0, 0, 0, 1, 0, &
! Slip family 4 {110)<1-11]/2
1,-1, 1, 1, 1, 0, &
1,-1,-1, 1, 1, 0, &
-1,-1,-1, -1, 1, 0, &
-1,-1, 1, -1, 1, 0, &
! Slip family 5 {110)<1-10]
1, -1, 0, 1, 1, 0, &
1, 1, 0, 1,-1, 0, &
! Slip family 6 {100)<011]
0, 1, 1, 1, 0, 0, &
0,-1, 1, 1, 0, 0, &
-1, 0, 1, 0, 1, 0, &
1, 0, 1, 0, 1, 0, &
! Slip family 7 {001)<010]
0, 1, 0, 0, 0, 1, &
1, 0, 0, 0, 0, 1, &
! Slip family 8 {001)<110]
1, 1, 0, 0, 0, 1, &
-1, 1, 0, 0, 0, 1, &
! Slip family 9 {011)<01-1]
0, 1,-1, 0, 1, 1, &
0,-1,-1, 0,-1, 1, &
-1, 0,-1, -1, 0, 1, &
1, 0,-1, 1, 0, 1, &
! Slip family 10 {011)<1-11]/2
1,-1, 1, 0, 1, 1, &
1, 1,-1, 0, 1, 1, &
1, 1, 1, 0, 1,-1, &
-1, 1, 1, 0, 1,-1, &
1,-1,-1, 1, 0, 1, &
-1,-1, 1, 1, 0, 1, &
1, 1, 1, 1, 0,-1, &
1,-1, 1, 1, 0,-1, &
! Slip family 11 {011)<100]
1, 0, 0, 0, 1, 1, &
1, 0, 0, 0, 1,-1, &
0, 1, 0, 1, 0, 1, &
0, 1, 0, 1, 0,-1, &
! Slip family 12 {211)<01-1]
0, 1,-1, 2, 1, 1, &
0,-1,-1, 2,-1, 1, &
1, 0,-1, 1, 2, 1, &
-1, 0,-1, -1, 2, 1, &
0, 1,-1, -2, 1, 1, &
0,-1,-1, -2,-1, 1, &
-1, 0,-1, -1,-2, 1, &
1, 0,-1, 1,-2, 1, &
! Slip family 13 {211)<-111]/2
-1, 1, 1, 2, 1, 1, &
-1,-1, 1, 2,-1, 1, &
1,-1, 1, 1, 2, 1, &
-1,-1, 1, -1, 2, 1, &
1, 1, 1, -2, 1, 1, &
1,-1, 1, -2,-1, 1, &
-1, 1, 1, -1,-2, 1, &
1, 1, 1, 1,-2, 1 &
single source of truth
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],pReal),shape(LATTICE_BCT_SYSTEMSLIP)) !< slip systems for bct sorted by Bieler
clearer structure
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introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
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!--------------------------------------------------------------------------------------------------
! orthorhombic
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, dimension(3), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho
clearer structure
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don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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integer, parameter :: &
PGI does not allow sum in init for parameter
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#ifndef __PGI
labels were not used better use automated labeling of all systems
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LATTICE_ORT_NCLEAVAGE = sum(LATTICE_ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho
PGI does not allow sum in init for parameter
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#else
LATTICE_ORT_NCLEAVAGE = 3
#endif
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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real(pReal), dimension(3+3,LATTICE_ORT_NCLEAVAGE), parameter :: &
to transpose already when constructing the interaction matrix
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LATTICE_ORT_SYSTEMCLEAVAGE = reshape(real([&
! Cleavage direction Plane normal
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 &
single source of truth
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],pReal),shape(LATTICE_ORT_SYSTEMCLEAVAGE))
clearer structure
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checking for required things
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! BEGIN DEPRECATED
to transpose already when constructing the interaction matrix
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integer, parameter, public :: &
LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
does not makes sense to have cleavage planes for isotropic behavior can be recovered by using 'real' crystal structures and suitable parameter (easiest for fcc/bcc)
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LATTICE_hex_Ncleavage,LATTICE_ort_Ncleavage)
to transpose already when constructing the interaction matrix
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! END DEPRECATED
clearer structure
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to transpose already when constructing the interaction matrix
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real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
lattice_C3333
real(pReal), dimension(:), allocatable, public, protected :: &
lattice_mu, lattice_nu
clearer structure
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polishing/sorting
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! SHOULD NOT BE PART OF LATTICE BEGIN
labels were not used better use automated labeling of all systems
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real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & ! with higher-order parameters (e.g. temperature-dependent)
to transpose already when constructing the interaction matrix
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lattice_thermalExpansion33
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_thermalConductivity33, &
lattice_damageDiffusion33
real(pReal), dimension(:), allocatable, public, protected :: &
lattice_damageMobility, &
lattice_massDensity, &
lattice_specificHeat, &
lattice_referenceTemperature
cleaned - only define variables that are needed - define variables where they are needed
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! SHOULD NOT BE PART OF LATTICE END
clearer structure
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to transpose already when constructing the interaction matrix
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enum, bind(c)
enumerator :: LATTICE_undefined_ID, &
LATTICE_iso_ID, &
LATTICE_fcc_ID, &
LATTICE_bcc_ID, &
LATTICE_hex_ID, &
LATTICE_bct_ID, &
LATTICE_ort_ID
end enum
clearer structure
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to transpose already when constructing the interaction matrix
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integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
not needed
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lattice_structure
clearer structure
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to transpose already when constructing the interaction matrix
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interface lattice_forestProjection_edge
module procedure slipProjection_transverse
end interface lattice_forestProjection_edge
clearer structure
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to transpose already when constructing the interaction matrix
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interface lattice_forestProjection_screw
module procedure slipProjection_direction
end interface lattice_forestProjection_screw
clearer structure
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to transpose already when constructing the interaction matrix
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public :: &
removed unused function were based on/used for deprecated orientation handling
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lattice_init, &
LATTICE_iso_ID, &
LATTICE_fcc_ID, &
LATTICE_bcc_ID, &
LATTICE_bct_ID, &
LATTICE_hex_ID, &
LATTICE_ort_ID, &
lattice_SchmidMatrix_slip, &
lattice_SchmidMatrix_twin, &
lattice_SchmidMatrix_trans, &
lattice_SchmidMatrix_cleavage, &
lattice_nonSchmidMatrix, &
lattice_interaction_SlipBySlip, &
lattice_interaction_TwinByTwin, &
lattice_interaction_TransByTrans, &
lattice_interaction_SlipByTwin, &
lattice_interaction_SlipByTrans, &
lattice_interaction_TwinBySlip, &
lattice_characteristicShear_Twin, &
lattice_C66_twin, &
lattice_C66_trans, &
lattice_forestProjection_edge, &
lattice_forestProjection_screw, &
lattice_slip_normal, &
lattice_slip_direction, &
get labels of slip and twin systems this info is for HDF5 output
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lattice_slip_transverse, &
cleaning
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lattice_labels_slip, &
lattice_labels_twin
clearer structure
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removed unused function were based on/used for deprecated orientation handling
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contains
cleaning
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
clearer structure
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preparing removal of initializeStructure
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integer :: Nphases, p,i
using default string length
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character(len=pStringLen) :: &
to transpose already when constructing the interaction matrix
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tag = ''
one loop is enough
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real(pReal) :: CoverA
to transpose already when constructing the interaction matrix
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real(pReal), dimension(:), allocatable :: &
one loop is enough
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temp
clearer structure
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to transpose already when constructing the interaction matrix
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write(6,'(/,a)') ' <<<+- lattice init -+>>>'
clearer structure
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to transpose already when constructing the interaction matrix
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Nphases = size(config_phase)
clearer structure
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to transpose already when constructing the interaction matrix
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allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_C3333(3,3,3,3,Nphases), source=0.0_pReal)
clearer structure
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to transpose already when constructing the interaction matrix
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allocate(lattice_thermalExpansion33 (3,3,3,Nphases), source=0.0_pReal) ! constant, linear, quadratic coefficients
allocate(lattice_thermalConductivity33 (3,3,Nphases), source=0.0_pReal)
allocate(lattice_damageDiffusion33 (3,3,Nphases), source=0.0_pReal)
allocate(lattice_damageMobility ( Nphases), source=0.0_pReal)
allocate(lattice_massDensity ( Nphases), source=0.0_pReal)
allocate(lattice_specificHeat ( Nphases), source=0.0_pReal)
allocate(lattice_referenceTemperature ( Nphases), source=300.0_pReal)
clearer structure
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one loop is enough
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allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal)
clearer structure
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to transpose already when constructing the interaction matrix
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allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal)
allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0)
clearer structure
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preparing removal of initializeStructure
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to transpose already when constructing the interaction matrix
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do p = 1, size(config_phase)
preparing removal of initializeStructure
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lattice_C66(1,1,p) = config_phase(p)%getFloat('c11',defaultVal=0.0_pReal)
lattice_C66(1,2,p) = config_phase(p)%getFloat('c12',defaultVal=0.0_pReal)
lattice_C66(1,3,p) = config_phase(p)%getFloat('c13',defaultVal=0.0_pReal)
lattice_C66(2,2,p) = config_phase(p)%getFloat('c22',defaultVal=0.0_pReal)
lattice_C66(2,3,p) = config_phase(p)%getFloat('c23',defaultVal=0.0_pReal)
lattice_C66(3,3,p) = config_phase(p)%getFloat('c33',defaultVal=0.0_pReal)
lattice_C66(4,4,p) = config_phase(p)%getFloat('c44',defaultVal=0.0_pReal)
lattice_C66(5,5,p) = config_phase(p)%getFloat('c55',defaultVal=0.0_pReal)
lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal)
CoverA = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
to transpose already when constructing the interaction matrix
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tag = config_phase(p)%getString('lattice_structure')
clearer structure
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select case(tag(1:3))
to transpose already when constructing the interaction matrix
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case('iso')
lattice_structure(p) = LATTICE_iso_ID
case('fcc')
lattice_structure(p) = LATTICE_fcc_ID
case('bcc')
lattice_structure(p) = LATTICE_bcc_ID
case('hex')
preparing removal of initializeStructure
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if(CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) call IO_error(131,el=p)
to transpose already when constructing the interaction matrix
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lattice_structure(p) = LATTICE_hex_ID
case('bct')
preparing removal of initializeStructure
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if(CoverA > 2.0_pReal) call IO_error(131,el=p)
to transpose already when constructing the interaction matrix
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lattice_structure(p) = LATTICE_bct_ID
case('ort')
lattice_structure(p) = LATTICE_ort_ID
clearer structure
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case default
call IO_error(130,ext_msg='lattice_init')
to transpose already when constructing the interaction matrix
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end select
clearer structure
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preparing removal of initializeStructure
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lattice_C66(1:6,1:6,p) = lattice_symmetrizeC66(lattice_structure(p),lattice_C66(1:6,1:6,p))
clearer structure
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preparing removal of initializeStructure
2020-02-26 11:53:29 +05:30
lattice_mu(p) = 0.2_pReal *(lattice_C66(1,1,p) -lattice_C66(1,2,p) +3.0_pReal*lattice_C66(4,4,p)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
lattice_nu(p) = ( lattice_C66(1,1,p) +4.0_pReal*lattice_C66(1,2,p) -2.0_pReal*lattice_C66(4,4,p)) &
/ (4.0_pReal*lattice_C66(1,1,p) +6.0_pReal*lattice_C66(1,2,p) +2.0_pReal*lattice_C66(4,4,p))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
clearer structure
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preparing removal of initializeStructure
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lattice_C3333(1:3,1:3,1:3,1:3,p) = math_Voigt66to3333(lattice_C66(1:6,1:6,p)) ! Literature data is Voigt
lattice_C66(1:6,1:6,p) = math_sym3333to66(lattice_C3333(1:3,1:3,1:3,1:3,p)) ! DAMASK uses Mandel-weighting
clearer structure
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preparing removal of initializeStructure
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do i = 1, 6
if (abs(lattice_C66(i,i,p))<tol_math_check) &
call IO_error(135,el=i,ip=p,ext_msg='matrix diagonal "el"ement of phase "ip"')
enddo
clearer structure
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preparing removal of initializeStructure
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! should not be part of lattice
to transpose already when constructing the interaction matrix
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lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal)
lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal)
lattice_thermalConductivity33(3,3,p) = config_phase(p)%getFloat('thermal_conductivity33',defaultVal=0.0_pReal)
clearer structure
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to transpose already when constructing the interaction matrix
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temp = config_phase(p)%getFloats('thermal_expansion11',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
lattice_thermalExpansion33(1,1,1:size(temp),p) = temp
temp = config_phase(p)%getFloats('thermal_expansion22',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
lattice_thermalExpansion33(2,2,1:size(temp),p) = temp
temp = config_phase(p)%getFloats('thermal_expansion33',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
lattice_thermalExpansion33(3,3,1:size(temp),p) = temp
clearer structure
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to transpose already when constructing the interaction matrix
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lattice_specificHeat(p) = config_phase(p)%getFloat( 'specific_heat',defaultVal=0.0_pReal)
lattice_massDensity(p) = config_phase(p)%getFloat( 'mass_density',defaultVal=0.0_pReal)
lattice_referenceTemperature(p) = config_phase(p)%getFloat( 'reference_temperature',defaultVal=0.0_pReal)
lattice_DamageDiffusion33(1,1,p) = config_phase(p)%getFloat( 'damage_diffusion11',defaultVal=0.0_pReal)
lattice_DamageDiffusion33(2,2,p) = config_phase(p)%getFloat( 'damage_diffusion22',defaultVal=0.0_pReal)
lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
clearer structure
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one loop is enough
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call lattice_initializeStructure(p, CoverA)
to transpose already when constructing the interaction matrix
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enddo
clearer structure
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end subroutine lattice_init
clearer structure
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polishing/sorting
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!--------------------------------------------------------------------------------------------------
forestprojection can be calculated centrally
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!> @brief !!!!!!!DEPRECTATED!!!!!!
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
trans systems now handled centrally remove inactive (= untested) definitions.
2018-12-22 12:19:52 +05:30
subroutine lattice_initializeStructure(myPhase,CoverA)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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to transpose already when constructing the interaction matrix
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integer, intent(in) :: myPhase
real(pReal), intent(in) :: &
CoverA
clearer structure
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to transpose already when constructing the interaction matrix
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integer :: &
clearer structure
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i
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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do i = 1,3
to transpose already when constructing the interaction matrix
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lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_thermalExpansion33 (1:3,1:3,i,myPhase))
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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enddo
clearer structure
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to transpose already when constructing the interaction matrix
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lattice_thermalConductivity33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_thermalConductivity33 (1:3,1:3,myPhase))
lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_DamageDiffusion33 (1:3,1:3,myPhase))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(lattice_structure(myPhase))
clearer structure
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to transpose already when constructing the interaction matrix
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case (LATTICE_fcc_ID)
lattice_NcleavageSystem(1:2,myPhase) = lattice_fcc_NcleavageSystem
clearer structure
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lattice_Scleavage(1:3,1:3,1:3,1:lattice_fcc_Ncleavage,myPhase) = &
to transpose already when constructing the interaction matrix
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lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavageSystem,'fcc',covera)
clearer structure
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to transpose already when constructing the interaction matrix
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case (LATTICE_bcc_ID)
lattice_NcleavageSystem(1:2,myPhase) = lattice_bcc_NcleavageSystem
clearer structure
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lattice_Scleavage(1:3,1:3,1:3,1:lattice_bcc_Ncleavage,myPhase) = &
to transpose already when constructing the interaction matrix
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lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera)
clearer structure
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to transpose already when constructing the interaction matrix
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case (LATTICE_hex_ID)
lattice_NcleavageSystem(1:1,myPhase) = lattice_hex_NcleavageSystem
clearer structure
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lattice_Scleavage(1:3,1:3,1:3,1:lattice_hex_Ncleavage,myPhase) = &
to transpose already when constructing the interaction matrix
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lattice_SchmidMatrix_cleavage(lattice_hex_ncleavagesystem,'hex',covera)
clearer structure
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to transpose already when constructing the interaction matrix
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case (LATTICE_ort_ID)
lattice_NcleavageSystem(1:3,myPhase) = lattice_ort_NcleavageSystem
clearer structure
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lattice_Scleavage(1:3,1:3,1:3,1:lattice_ort_Ncleavage,myPhase) = &
to transpose already when constructing the interaction matrix
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lattice_SchmidMatrix_cleavage(lattice_ort_NcleavageSystem,'ort',covera)
clearer structure
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to transpose already when constructing the interaction matrix
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end select
clearer structure
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end subroutine lattice_initializeStructure
clearer structure
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Symmetrizes stiffness matrix according to lattice type
polished sanity checks + documentation
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!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrizeC66(struct,C66)
clearer structure
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to transpose already when constructing the interaction matrix
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integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(6,6), intent(in) :: C66
real(pReal), dimension(6,6) :: lattice_symmetrizeC66
integer :: j,k
clearer structure
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to transpose already when constructing the interaction matrix
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lattice_symmetrizeC66 = 0.0_pReal
clearer structure
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to transpose already when constructing the interaction matrix
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select case(struct)
case (LATTICE_iso_ID)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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do k=1,3
forall is deprecated in Fortran 2018
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do j=1,3
lattice_symmetrizeC66(k,j) = C66(1,2)
enddo
better readable
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lattice_symmetrizeC66(k,k) = C66(1,1)
to transpose already when constructing the interaction matrix
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lattice_symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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enddo
to transpose already when constructing the interaction matrix
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case (LATTICE_fcc_ID,LATTICE_bcc_ID)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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do k=1,3
forall is deprecated in Fortran 2018
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do j=1,3
lattice_symmetrizeC66(k,j) = C66(1,2)
enddo
better readable
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lattice_symmetrizeC66(k,k) = C66(1,1)
to transpose already when constructing the interaction matrix
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lattice_symmetrizeC66(k+3,k+3) = C66(4,4)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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enddo
to transpose already when constructing the interaction matrix
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case (LATTICE_hex_ID)
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 (LATTICE_ort_ID)
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)
case (LATTICE_bct_ID)
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) = C66(6,6)
case default
lattice_symmetrizeC66 = C66
end select
clearer structure
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to transpose already when constructing the interaction matrix
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end function lattice_symmetrizeC66
clearer structure
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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Symmetrizes 2nd order tensor according to lattice type
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrize33(struct,T33)
clearer structure
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to transpose already when constructing the interaction matrix
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integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(3,3), intent(in) :: T33
real(pReal), dimension(3,3) :: lattice_symmetrize33
integer :: k
clearer structure
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to transpose already when constructing the interaction matrix
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lattice_symmetrize33 = 0.0_pReal
clearer structure
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to transpose already when constructing the interaction matrix
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select case(struct)
case (LATTICE_iso_ID,LATTICE_fcc_ID,LATTICE_bcc_ID)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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do k=1,3
lattice_symmetrize33(k,k) = T33(1,1)
enddo
to transpose already when constructing the interaction matrix
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case (LATTICE_hex_ID)
lattice_symmetrize33(1,1) = T33(1,1)
lattice_symmetrize33(2,2) = T33(1,1)
lattice_symmetrize33(3,3) = T33(3,3)
case (LATTICE_ort_ID,lattice_bct_ID)
lattice_symmetrize33(1,1) = T33(1,1)
lattice_symmetrize33(2,2) = T33(2,2)
lattice_symmetrize33(3,3) = T33(3,3)
case default
lattice_symmetrize33 = T33
end select
clearer structure
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to transpose already when constructing the interaction matrix
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end function lattice_symmetrize33
clearer structure
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WIP: Calculation of elasticity matrices for twin and trans
2018-10-06 14:12:25 +05:30
!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
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!> @brief Characteristic shear for twinning
WIP: Calculation of elasticity matrices for twin and trans
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!--------------------------------------------------------------------------------------------------
calculate only if required
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function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(characteristicShear)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(sum(Ntwin)) :: characteristicShear
clearer structure
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to transpose already when constructing the interaction matrix
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integer :: &
a, & !< index of active system
polishing/unifying names
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p, & !< index in potential system list
f, & !< index of my family
s !< index of my system in current family
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_HEX_NTWIN), parameter :: &
HEX_SHEARTWIN = reshape( [&
1, & ! <-10.1>{10.2}
1, &
1, &
1, &
1, &
1, &
2, & ! <11.6>{-1-1.1}
2, &
2, &
2, &
2, &
2, &
3, & ! <10.-2>{10.1}
3, &
3, &
3, &
3, &
3, &
4, & ! <11.-3>{11.2}
4, &
4, &
4, &
4, &
4 &
],[LATTICE_HEX_NTWIN]) ! indicator to formulas below
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_characteristicShear_Twin: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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a = 0
polishing/unifying names
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myFamilies: do f = 1,size(Ntwin,1)
mySystems: do s = 1,Ntwin(f)
to transpose already when constructing the interaction matrix
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a = a + 1
select case(structure(1:3))
case('fcc','bcc')
characteristicShear(a) = 0.5_pReal*sqrt(2.0_pReal)
case('hex')
if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
call IO_error(131,ext_msg='lattice_characteristicShear_Twin')
polishing/unifying names
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p = sum(LATTICE_HEX_NTWINSYSTEM(1:f-1))+s
select case(HEX_SHEARTWIN(p)) ! from Christian & Mahajan 1995 p.29
to transpose already when constructing the interaction matrix
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case (1) ! <-10.1>{10.2}
characteristicShear(a) = (3.0_pReal-cOverA**2.0_pReal)/sqrt(3.0_pReal)/CoverA
case (2) ! <11.6>{-1-1.1}
characteristicShear(a) = 1.0_pReal/cOverA
case (3) ! <10.-2>{10.1}
characteristicShear(a) = (4.0_pReal*cOverA**2.0_pReal-9.0_pReal)/sqrt(48.0_pReal)/cOverA
case (4) ! <11.-3>{11.2}
characteristicShear(a) = 2.0_pReal*(cOverA**2.0_pReal-2.0_pReal)/3.0_pReal/cOverA
end select
case default
call IO_error(137,ext_msg='lattice_characteristicShear_Twin: '//trim(structure))
end select
enddo mySystems
enddo myFamilies
clearer structure
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calculate only if required
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end function lattice_characteristicShear_Twin
clearer structure
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WIP: Calculation of elasticity matrices for twin and trans
2018-10-06 14:12:25 +05:30
!--------------------------------------------------------------------------------------------------
more sanity checks structure string can be now of arbitrary length (technically) only fcc,hex,bcc,bct,ort are accepted labels
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!> @brief Rotated elasticity matrices for twinning in 66-vector notation
WIP: Calculation of elasticity matrices for twin and trans
2018-10-06 14:12:25 +05:30
!--------------------------------------------------------------------------------------------------
cleaning
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function lattice_C66_twin(Ntwin,C66,structure,CoverA)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(6,6,sum(Ntwin)) :: lattice_C66_twin
clearer structure
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getting rid of conversions with unclear behavior
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real(pReal), dimension(3,3,sum(Ntwin)):: coordinateSystem
type(rotation) :: R
to transpose already when constructing the interaction matrix
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integer :: i
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_C66_twin: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
coordinateSystem = buildCoordinateSystem(Ntwin,LATTICE_FCC_NSLIPSYSTEM,LATTICE_FCC_SYSTEMTWIN,&
trim(structure),0.0_pReal)
case('bcc')
coordinateSystem = buildCoordinateSystem(Ntwin,LATTICE_BCC_NSLIPSYSTEM,LATTICE_BCC_SYSTEMTWIN,&
trim(structure),0.0_pReal)
case('hex')
coordinateSystem = buildCoordinateSystem(Ntwin,LATTICE_HEX_NSLIPSYSTEM,LATTICE_HEX_SYSTEMTWIN,&
'hex',cOverA)
case default
call IO_error(137,ext_msg='lattice_C66_twin: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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do i = 1, sum(Ntwin)
same names as in python
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call R%fromAxisAngle([coordinateSystem(1:3,2,i),PI],P=1) ! ToDo: Why always 180 deg?
even better to read
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lattice_C66_twin(1:6,1:6,i) = R%rotTensor4sym(C66)
to transpose already when constructing the interaction matrix
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enddo
getting rid of conversions with unclear behavior
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cleaning
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end function lattice_C66_twin
clearer structure
2020-02-25 22:02:49 +05:30
WIP: Calculation of elasticity matrices for twin and trans
2018-10-06 14:12:25 +05:30
!--------------------------------------------------------------------------------------------------
more sanity checks structure string can be now of arbitrary length (technically) only fcc,hex,bcc,bct,ort are accepted labels
2019-01-25 18:12:38 +05:30
!> @brief Rotated elasticity matrices for transformation in 66-vector notation
WIP: Calculation of elasticity matrices for twin and trans
2018-10-06 14:12:25 +05:30
!--------------------------------------------------------------------------------------------------
more sanity checks structure string can be now of arbitrary length (technically) only fcc,hex,bcc,bct,ort are accepted labels
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function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
more error checking
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cOverA_trans,a_bcc,a_fcc)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
character(len=*), intent(in) :: structure_target !< lattice structure
real(pReal), dimension(6,6), intent(in) :: C_parent66
real(pReal), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
clearer structure
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to transpose already when constructing the interaction matrix
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real(pReal), dimension(6,6) :: C_bar66, C_target_unrotated66
real(pReal), dimension(3,3,sum(Ntrans)) :: Q,S
make use of consistency checks
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type(rotation) :: R
more error checking
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real(pReal) :: a_bcc, a_fcc, cOverA_trans
to transpose already when constructing the interaction matrix
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integer :: i
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure_target) /= 3) &
call IO_error(137,ext_msg='lattice_C66_trans (target): '//trim(structure_target))
clearer structure
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to transpose already when constructing the interaction matrix
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!--------------------------------------------------------------------------------------------------
! elasticity matrix of the target phase in cube orientation
if (structure_target(1:3) == 'hex') then
more error checking
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if (cOverA_trans < 1.0_pReal .or. cOverA_trans > 2.0_pReal) &
better check input data
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call IO_error(131,ext_msg='lattice_C66_trans: '//trim(structure_target))
to transpose already when constructing the interaction matrix
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C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal
C_bar66(1,2) = (C_parent66(1,1) + 5.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/6.0_pReal
C_bar66(3,3) = (C_parent66(1,1) + 2.0_pReal*C_parent66(1,2) + 4.0_pReal*C_parent66(4,4))/3.0_pReal
C_bar66(1,3) = (C_parent66(1,1) + 2.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/3.0_pReal
C_bar66(4,4) = (C_parent66(1,1) - C_parent66(1,2) + C_parent66(4,4))/3.0_pReal
C_bar66(1,4) = (C_parent66(1,1) - C_parent66(1,2) - 2.0_pReal*C_parent66(4,4)) /(3.0_pReal*sqrt(2.0_pReal))
clearer structure
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to transpose already when constructing the interaction matrix
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C_target_unrotated66 = 0.0_pReal
C_target_unrotated66(1,1) = C_bar66(1,1) - C_bar66(1,4)**2.0_pReal/C_bar66(4,4)
C_target_unrotated66(1,2) = C_bar66(1,2) + C_bar66(1,4)**2.0_pReal/C_bar66(4,4)
C_target_unrotated66(1,3) = C_bar66(1,3)
C_target_unrotated66(3,3) = C_bar66(3,3)
more error checking
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C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2.0_pReal/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2)))
to transpose already when constructing the interaction matrix
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C_target_unrotated66 = lattice_symmetrizeC66(LATTICE_HEX_ID,C_target_unrotated66)
elseif (structure_target(1:3) == 'bcc') then
more error checking
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if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target))
to transpose already when constructing the interaction matrix
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C_target_unrotated66 = C_parent66
else
more error checking
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call IO_error(137,ext_msg='lattice_C66_trans : '//trim(structure_target))
to transpose already when constructing the interaction matrix
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endif
clearer structure
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to transpose already when constructing the interaction matrix
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do i = 1, 6
if (abs(C_target_unrotated66(i,i))<tol_math_check) &
call IO_error(135,el=i,ext_msg='matrix diagonal "el"ement in transformation')
enddo
clearer structure
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more error checking
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call buildTransformationSystem(Q,S,Ntrans,cOverA_trans,a_fcc,a_bcc)
clearer structure
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to transpose already when constructing the interaction matrix
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do i = 1, sum(Ntrans)
same names as in python
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call R%fromMatrix(Q(1:3,1:3,i))
even better to read
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lattice_C66_trans(1:6,1:6,i) = R%rotTensor4sym(C_target_unrotated66)
to transpose already when constructing the interaction matrix
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enddo
getting rid of conversions with unclear behavior
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to transpose already when constructing the interaction matrix
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end function lattice_C66_trans
clearer structure
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WIP: Calculation of elasticity matrices for twin and trans
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!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
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!> @brief Non-schmid projections for bcc with up to 6 coefficients
! Koester et al. 2012, Acta Materialia 60 (2012) 3894–3901, eq. (17)
! Gröger et al. 2008, Acta Materialia 56 (2008) 5412–5425, table 1
WIP: Calculation of elasticity matrices for twin and trans
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!--------------------------------------------------------------------------------------------------
function to calculate nonSchmid matrix
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function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSchmidMatrix)
to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
integer, intent(in) :: sense !< sense (-1,+1)
real(pReal), dimension(1:3,1:3,sum(Nslip)) :: nonSchmidMatrix
clearer structure
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getting rid of conversions with unclear behavior
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real(pReal), dimension(1:3,1:3,sum(Nslip)) :: coordinateSystem !< coordinate system of slip system
real(pReal), dimension(3) :: direction, normal, np
type(rotation) :: R
integer :: i
clearer structure
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to transpose already when constructing the interaction matrix
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if (abs(sense) /= 1) call IO_error(0,ext_msg='lattice_nonSchmidMatrix')
clearer structure
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to transpose already when constructing the interaction matrix
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coordinateSystem = buildCoordinateSystem(Nslip,LATTICE_BCC_NSLIPSYSTEM,LATTICE_BCC_SYSTEMSLIP,&
'bcc',0.0_pReal)
coordinateSystem(1:3,1,1:sum(Nslip)) = coordinateSystem(1:3,1,1:sum(Nslip)) *real(sense,pReal) ! convert unidirectional coordinate system
nonSchmidMatrix = lattice_SchmidMatrix_slip(Nslip,'bcc',0.0_pReal) ! Schmid contribution
clearer structure
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to transpose already when constructing the interaction matrix
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do i = 1,sum(Nslip)
direction = coordinateSystem(1:3,1,i)
normal = coordinateSystem(1:3,2,i)
same names as in python
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call R%fromAxisAngle([direction,60.0_pReal],degrees=.true.,P=1)
np = R%rotate(normal)
getting rid of conversions with unclear behavior
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to transpose already when constructing the interaction matrix
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if (size(nonSchmidCoefficients)>0) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(1) * math_outer(direction, np)
if (size(nonSchmidCoefficients)>1) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(2) * math_outer(math_cross(normal, direction), normal)
if (size(nonSchmidCoefficients)>2) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(3) * math_outer(math_cross(np, direction), np)
if (size(nonSchmidCoefficients)>3) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(4) * math_outer(normal, normal)
if (size(nonSchmidCoefficients)>4) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(5) * math_outer(math_cross(normal, direction), &
math_cross(normal, direction))
if (size(nonSchmidCoefficients)>5) nonSchmidMatrix(1:3,1:3,i) = nonSchmidMatrix(1:3,1:3,i) &
+ nonSchmidCoefficients(6) * math_outer(direction, direction)
enddo
getting rid of conversions with unclear behavior
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function to calculate nonSchmid matrix
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end function lattice_nonSchmidMatrix
clearer structure
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generic function and interfaces for slipSlip, twinTwin, transTrans
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!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
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!> @brief Slip-slip interaction matrix
!> details only active slip systems are considered
generic function and interfaces for slipSlip, twinTwin, transTrans
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!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
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function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) result(interactionMatrix)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: interactionMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), allocatable :: NslipMax
integer, dimension(:,:), allocatable :: interactionTypes
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! -----> acting
2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! |
2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! |
4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v
6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & ! reacting
5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, &
3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, &
5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, &
5, 6, 4, 6, 5, 4, 2, 2, 1, 5, 5, 3, 12,11,10, 9, 9,10, &
4, 5, 6, 3, 5, 5, 4, 6, 5, 1, 2, 2, 10, 9, 9,10,12,11, &
5, 3, 5, 5, 4, 6, 6, 4, 5, 2, 1, 2, 10, 9,11,12,10, 9, &
6, 5, 4, 5, 6, 4, 5, 5, 3, 2, 2, 1, 12,11, 9,10,10, 9, &
clearer structure
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to transpose already when constructing the interaction matrix
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9, 9,11, 9, 9,11,10,10,12,10,10,12, 1, 7, 8, 8, 8, 8, &
10,10,12,10,10,12, 9, 9,11, 9, 9,11, 7, 1, 8, 8, 8, 8, &
9,11, 9,10,12,10,10,12,10, 9,11, 9, 8, 8, 1, 7, 8, 8, &
10,12,10, 9,11, 9, 9,11, 9,10,12,10, 8, 8, 7, 1, 8, 8, &
11, 9, 9,12,10,10,11, 9, 9,12,10,10, 8, 8, 8, 8, 1, 7, &
12,10,10,11, 9, 9,12,10,10,11, 9, 9, 8, 8, 8, 8, 7, 1 &
],shape(FCC_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for fcc
avoid publicly avaialbe data, rather provide setters and getters
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!< 1: self interaction
!< 2: coplanar interaction
!< 3: collinear interaction
!< 4: Hirth locks
!< 5: glissile junctions
!< 6: Lomer locks
!< 7: crossing (similar to Hirth locks in <110>{111} for two {110} planes)
!< 8: similar to Lomer locks in <110>{111} for two {110} planes
!< 9: similar to Lomer locks in <110>{111} btw one {110} and one {111} plane
!<10: similar to glissile junctions in <110>{111} btw one {110} and one {111} plane
!<11: crossing btw one {110} and one {111} plane
!<12: collinear btw one {110} and one {111} plane
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPSLIP = reshape( [&
1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! -----> acting
2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! |
6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, & ! v
5,4,4,3,1,2,6,6,3,4,5,4, 3,6,4,6,6,4,6,3,4,6,3,6, & ! reacting
4,3,5,4,2,1,6,6,4,5,4,3, 4,6,3,6,6,3,6,4,3,6,4,6, &
4,5,3,4,6,6,1,2,5,4,3,4, 6,3,6,4,4,6,3,6,6,4,6,3, &
3,4,4,5,6,6,2,1,4,3,4,5, 6,4,6,3,3,6,4,6,6,3,6,4, &
4,5,4,3,3,4,5,4,1,2,6,6, 3,6,6,4,4,6,6,3,6,4,3,6, &
3,4,5,4,4,5,4,3,2,1,6,6, 4,6,6,3,3,6,6,4,6,3,4,6, &
5,4,3,4,5,4,3,4,6,6,1,2, 6,3,4,6,6,4,3,6,4,6,6,3, &
4,3,4,5,4,3,4,5,6,6,2,1, 6,4,3,6,6,3,4,6,3,6,6,4, &
!
6,6,4,3,3,4,6,6,3,4,6,6, 1,5,6,6,5,6,6,3,5,6,3,6, &
6,6,3,4,6,6,3,4,6,6,3,4, 5,1,6,6,6,5,3,6,6,5,6,3, &
4,3,6,6,4,3,6,6,6,6,4,3, 6,6,1,5,6,3,5,6,3,6,5,6, &
3,4,6,6,6,6,4,3,4,3,6,6, 6,6,5,1,3,6,6,5,6,3,6,5, &
3,4,6,6,6,6,4,3,4,3,6,6, 5,6,6,3,1,6,5,6,5,3,6,6, &
4,3,6,6,4,3,6,6,6,6,4,3, 6,5,3,6,6,1,6,5,3,5,6,6, &
6,6,3,4,6,6,3,4,6,6,3,4, 6,3,5,6,5,6,1,6,6,6,5,3, &
6,6,4,3,3,4,6,6,3,4,6,6, 3,6,6,5,6,5,6,1,6,6,3,5, &
4,3,6,6,4,3,6,6,6,6,4,3, 5,6,3,6,5,3,6,6,1,6,6,5, &
3,4,6,6,6,6,4,3,4,3,6,6, 6,5,6,3,3,5,6,6,6,1,5,6, &
6,6,4,3,3,4,6,6,3,4,6,6, 3,6,5,6,6,6,5,3,6,5,1,6, &
6,6,3,4,6,6,3,4,6,6,3,4, 6,3,6,5,6,6,3,5,5,6,6,1 &
],shape(BCC_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for bcc from Queyreau et al. Int J Plast 25 (2009) 361–377
avoid publicly avaialbe data, rather provide setters and getters
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!< 1: self interaction
!< 2: coplanar interaction
!< 3: collinear interaction
!< 4: mixed-asymmetrical junction
!< 5: mixed-symmetrical junction
!< 6: edge junction
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! -----> acting
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
! ! v
6, 6, 6, 4, 5, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & ! reacting
6, 6, 6, 5, 4, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
6, 6, 6, 5, 5, 4, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
!
12,12,12, 11,11,11, 9,10,10, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, &
12,12,12, 11,11,11, 10, 9,10, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, &
12,12,12, 11,11,11, 10,10, 9, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, &
!
20,20,20, 19,19,19, 18,18,18, 16,17,17,17,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
20,20,20, 19,19,19, 18,18,18, 17,16,17,17,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
20,20,20, 19,19,19, 18,18,18, 17,17,16,17,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
20,20,20, 19,19,19, 18,18,18, 17,17,17,16,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
20,20,20, 19,19,19, 18,18,18, 17,17,17,17,16,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
20,20,20, 19,19,19, 18,18,18, 17,17,17,17,17,16, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
!
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 25,26,26,26,26,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,25,26,26,26,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,25,26,26,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,25,26,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,25,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,25,26,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,25,26,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,25,26,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,26,25,26,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,26,26,25,26,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,26,26,26,25,26, 35,35,35,35,35,35, &
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,26,26,26,26,25, 35,35,35,35,35,35, &
!
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 36,37,37,37,37,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,36,37,37,37,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,36,37,37,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,36,37,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,36,37, &
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 &
],shape(HEX_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for hex (onion peel naming scheme)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: &
BCT_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! -----> acting
2, 1, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! |
! |
6, 6, 4, 5, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & ! v
6, 6, 5, 4, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & ! reacting
!
12, 12, 11, 11, 9, 10, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
12, 12, 11, 11, 10, 9, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
!
20, 20, 19, 19, 18, 18, 16, 17, 17, 17, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76, 94, 94, 94, 94, 94, 94, 94, 94, 114, 114, 114, 114, 136,136,136,136,136,136,136,136, 160,160,160,160,160,160,160,160, &
20, 20, 19, 19, 18, 18, 17, 16, 17, 17, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76, 94, 94, 94, 94, 94, 94, 94, 94, 114, 114, 114, 114, 136,136,136,136,136,136,136,136, 160,160,160,160,160,160,160,160, &
20, 20, 19, 19, 18, 18, 17, 17, 16, 17, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76, 94, 94, 94, 94, 94, 94, 94, 94, 114, 114, 114, 114, 136,136,136,136,136,136,136,136, 160,160,160,160,160,160,160,160, &
20, 20, 19, 19, 18, 18, 17, 17, 17, 16, 24, 24, 34, 34, 34, 34, 46, 46, 60, 60, 76, 76, 76, 76, 94, 94, 94, 94, 94, 94, 94, 94, 114, 114, 114, 114, 136,136,136,136,136,136,136,136, 160,160,160,160,160,160,160,160, &
!
30, 30, 29, 29, 28, 28, 27, 27, 27, 27, 25, 26, 35, 35, 35, 35, 47, 47, 61, 61, 77, 77, 77, 77, 95, 95, 95, 95, 95, 95, 95, 95, 115, 115, 115, 115, 137,137,137,137,137,137,137,137, 161,161,161,161,161,161,161,161, &
30, 30, 29, 29, 28, 28, 27, 27, 27, 27, 26, 25, 35, 35, 35, 35, 47, 47, 61, 61, 77, 77, 77, 77, 95, 95, 95, 95, 95, 95, 95, 95, 115, 115, 115, 115, 137,137,137,137,137,137,137,137, 161,161,161,161,161,161,161,161, &
!
42, 42, 41, 41, 40, 40, 39, 39, 39, 39, 38, 38, 36, 37, 37, 37, 48, 48, 62, 62, 78, 78, 78, 78, 96, 96, 96, 96, 96, 96, 96, 96, 116, 116, 116, 116, 138,138,138,138,138,138,138,138, 162,162,162,162,162,162,162,162, &
42, 42, 41, 41, 40, 40, 39, 39, 39, 39, 38, 38, 37, 36, 37, 37, 48, 48, 62, 62, 78, 78, 78, 78, 96, 96, 96, 96, 96, 96, 96, 96, 116, 116, 116, 116, 138,138,138,138,138,138,138,138, 162,162,162,162,162,162,162,162, &
42, 42, 41, 41, 40, 40, 39, 39, 39, 39, 38, 38, 37, 37, 36, 37, 48, 48, 62, 62, 78, 78, 78, 78, 96, 96, 96, 96, 96, 96, 96, 96, 116, 116, 116, 116, 138,138,138,138,138,138,138,138, 162,162,162,162,162,162,162,162, &
42, 42, 41, 41, 40, 40, 39, 39, 39, 39, 38, 38, 37, 37, 37, 36, 48, 48, 62, 62, 78, 78, 78, 78, 96, 96, 96, 96, 96, 96, 96, 96, 116, 116, 116, 116, 138,138,138,138,138,138,138,138, 162,162,162,162,162,162,162,162, &
!
56, 56, 55, 55, 54, 54, 53, 53, 53, 53, 52, 52, 51, 51, 51, 51, 49, 50, 63, 63, 79, 79, 79, 79, 97, 97, 97, 97, 97, 97, 97, 97, 117, 117, 117, 117, 139,139,139,139,139,139,139,139, 163,163,163,163,163,163,163,163, &
56, 56, 55, 55, 54, 54, 53, 53, 53, 53, 52, 52, 51, 51, 51, 51, 50, 49, 63, 63, 79, 79, 79, 79, 97, 97, 97, 97, 97, 97, 97, 97, 117, 117, 117, 117, 139,139,139,139,139,139,139,139, 163,163,163,163,163,163,163,163, &
!
72, 72, 71, 71, 70, 70, 69, 69, 69, 69, 68, 68, 67, 67, 67, 67, 66, 66, 64, 65, 80, 80, 80, 80, 98, 98, 98, 98, 98, 98, 98, 98, 118, 118, 118, 118, 140,140,140,140,140,140,140,140, 164,164,164,164,164,164,164,164, &
72, 72, 71, 71, 70, 70, 69, 69, 69, 69, 68, 68, 67, 67, 67, 67, 66, 66, 65, 64, 80, 80, 80, 80, 98, 98, 98, 98, 98, 98, 98, 98, 118, 118, 118, 118, 140,140,140,140,140,140,140,140, 164,164,164,164,164,164,164,164, &
!
90, 90, 89, 89, 88, 88, 87, 87, 87, 87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 81, 82, 82, 82, 99, 99, 99, 99, 99, 99, 99, 99, 119, 119, 119, 119, 141,141,141,141,141,141,141,141, 165,165,165,165,165,165,165,165, &
90, 90, 89, 89, 88, 88, 87, 87, 87, 87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 82, 81, 82, 82, 99, 99, 99, 99, 99, 99, 99, 99, 119, 119, 119, 119, 141,141,141,141,141,141,141,141, 165,165,165,165,165,165,165,165, &
90, 90, 89, 89, 88, 88, 87, 87, 87, 87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 82, 82, 81, 82, 99, 99, 99, 99, 99, 99, 99, 99, 119, 119, 119, 119, 141,141,141,141,141,141,141,141, 165,165,165,165,165,165,165,165, &
90, 90, 89, 89, 88, 88, 87, 87, 87, 87, 86, 86, 85, 85, 85, 85, 84, 84, 83, 83, 82, 82, 82, 81, 99, 99, 99, 99, 99, 99, 99, 99, 119, 119, 119, 119, 141,141,141,141,141,141,141,141, 165,165,165,165,165,165,165,165, &
!
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 100,101,101,101,101,101,101,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,100,101,101,101,101,101,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,101,100,101,101,101,101,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,101,101,100,101,101,101,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,101,101,101,100,101,101,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,101,101,101,101,100,101,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,101,101,101,101,101,100,101, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
110,110, 109,109, 108,108, 107,107,107,107, 106,106, 105,105,105,105, 104,104, 103,103, 102,102,102,102, 101,101,101,101,101,101,101,100, 120, 120, 120, 120, 142,142,142,142,142,142,142,142, 166,166,166,166,166,166,166,166, &
!
132,132, 131,131, 130,130, 129,129,129,129, 128,128, 127,127,127,127, 126,126, 125,125, 124,124,124,124, 123,123,123,123,123,123,123,123, 121, 122, 122, 122, 143,143,143,143,143,143,143,143, 167,167,167,167,167,167,167,167, &
132,132, 131,131, 130,130, 129,129,129,129, 128,128, 127,127,127,127, 126,126, 125,125, 124,124,124,124, 123,123,123,123,123,123,123,123, 121, 121, 122, 122, 143,143,143,143,143,143,143,143, 167,167,167,167,167,167,167,167, &
132,132, 131,131, 130,130, 129,129,129,129, 128,128, 127,127,127,127, 126,126, 125,125, 124,124,124,124, 123,123,123,123,123,123,123,123, 121, 122, 121, 122, 143,143,143,143,143,143,143,143, 167,167,167,167,167,167,167,167, &
132,132, 131,131, 130,130, 129,129,129,129, 128,128, 127,127,127,127, 126,126, 125,125, 124,124,124,124, 123,123,123,123,123,123,123,123, 121, 122, 122, 121, 143,143,143,143,143,143,143,143, 167,167,167,167,167,167,167,167, &
!
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 144,145,145,145,145,145,145,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,144,145,145,145,145,145,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,145,144,145,145,145,145,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,145,145,144,145,145,145,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,145,145,145,144,145,145,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,145,145,145,145,144,145,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,145,145,145,145,145,144,145, 168,168,168,168,168,168,168,168, &
156,156, 155,155, 154,154, 153,153,153,153, 152,152, 151,151,151,151, 150,150, 149,149, 148,148,148,148, 147,147,147,147,147,147,147,147, 146, 146, 146, 146, 145,145,145,145,145,145,145,144, 168,168,168,168,168,168,168,168, &
!
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,170,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 170,169,170,170,170,170,170,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 170,170,169,170,170,170,170,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 170,170,170,169,170,170,170,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 170,170,170,170,169,170,170,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,169,170,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,169,170, &
182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,170,169 &
],shape(BCT_INTERACTIONSLIPSLIP))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
select case(structure(1:3))
case('fcc')
interactionTypes = FCC_INTERACTIONSLIPSLIP
NslipMax = LATTICE_FCC_NSLIPSYSTEM
case('bcc')
interactionTypes = BCC_INTERACTIONSLIPSLIP
NslipMax = LATTICE_BCC_NSLIPSYSTEM
case('hex')
interactionTypes = HEX_INTERACTIONSLIPSLIP
NslipMax = LATTICE_HEX_NSLIPSYSTEM
case('bct')
interactionTypes = BCT_INTERACTIONSLIPSLIP
NslipMax = LATTICE_BCT_NSLIPSYSTEM
case default
call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(structure))
end select
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
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interactionMatrix = buildInteraction(Nslip,Nslip,NslipMax,NslipMax,interactionValues,interactionTypes)
clearer structure
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fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
end function lattice_interaction_SlipBySlip
clearer structure
2020-02-25 22:02:49 +05:30
generic function and interfaces for slipSlip, twinTwin, transTrans
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!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
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!> @brief Twin-twin interaction matrix
!> details only active twin systems are considered
generic function and interfaces for slipSlip, twinTwin, transTrans
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!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
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function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) result(interactionMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Ntwin),sum(Ntwin)) :: interactionMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), allocatable :: NtwinMax
integer, dimension(:,:), allocatable :: interactionTypes
clearer structure
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to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINTWIN = reshape( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
2,2,2,1,1,1,2,2,2,2,2,2, & ! v
2,2,2,1,1,1,2,2,2,2,2,2, & ! reacting
2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1 &
],shape(FCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for fcc
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINTWIN = reshape( [&
1,3,3,3,3,3,3,2,3,3,2,3, & ! -----> acting
3,1,3,3,3,3,2,3,3,3,3,2, & ! |
3,3,1,3,3,2,3,3,2,3,3,3, & ! |
3,3,3,1,2,3,3,3,3,2,3,3, & ! v
3,3,3,2,1,3,3,3,3,2,3,3, & ! reacting
3,3,2,3,3,1,3,3,2,3,3,3, &
3,2,3,3,3,3,1,3,3,3,3,2, &
2,3,3,3,3,3,3,1,3,3,2,3, &
3,3,2,3,3,2,3,3,1,3,3,3, &
3,3,3,2,2,3,3,3,3,1,3,3, &
2,3,3,3,3,3,3,2,3,3,1,3, &
3,2,3,3,3,3,2,3,3,3,3,1 &
],shape(BCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for bcc
cleaned - only define variables that are needed - define variables where they are needed
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!< 1: self interaction
!< 2: collinear interaction
!< 3: other interaction
to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINTWIN = reshape( [&
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! -----> acting
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! v
2, 2, 2, 2, 1, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! reacting
2, 2, 2, 2, 2, 1, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
!
6, 6, 6, 6, 6, 6, 4, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
6, 6, 6, 6, 6, 6, 5, 4, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
6, 6, 6, 6, 6, 6, 5, 5, 4, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
6, 6, 6, 6, 6, 6, 5, 5, 5, 4, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 4, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 5, 4, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
!
12,12,12,12,12,12, 11,11,11,11,11,11, 9,10,10,10,10,10, 15,15,15,15,15,15, &
12,12,12,12,12,12, 11,11,11,11,11,11, 10, 9,10,10,10,10, 15,15,15,15,15,15, &
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10, 9,10,10,10, 15,15,15,15,15,15, &
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10, 9,10,10, 15,15,15,15,15,15, &
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10,10, 9,10, 15,15,15,15,15,15, &
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10,10,10, 9, 15,15,15,15,15,15, &
!
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 16,17,17,17,17,17, &
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,16,17,17,17,17, &
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,16,17,17,17, &
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,16,17,17, &
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,16,17, &
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,17,16 &
],shape(HEX_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for hex
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
interactionTypes = FCC_INTERACTIONTWINTWIN
NtwinMax = LATTICE_FCC_NTWINSYSTEM
case('bcc')
interactionTypes = BCC_INTERACTIONTWINTWIN
NtwinMax = LATTICE_BCC_NTWINSYSTEM
case('hex')
interactionTypes = HEX_INTERACTIONTWINTWIN
NtwinMax = LATTICE_HEX_NTWINSYSTEM
case default
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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interactionMatrix = buildInteraction(Ntwin,Ntwin,NtwinMax,NtwinMax,interactionValues,interactionTypes)
clearer structure
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fortran fast storage of interaction matrices
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end function lattice_interaction_TwinByTwin
clearer structure
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polishing/sorting
2018-12-11 05:09:50 +05:30
!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Trans-trans interaction matrix
!> details only active trans systems are considered
polishing/sorting
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!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
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function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) result(interactionMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
real(pReal), dimension(sum(Ntrans),sum(Ntrans)) :: interactionMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), allocatable :: NtransMax
integer, dimension(:,:), allocatable :: interactionTypes
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: &
FCC_INTERACTIONTRANSTRANS = reshape( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
2,2,2,1,1,1,2,2,2,2,2,2, & ! v
2,2,2,1,1,1,2,2,2,2,2,2, & ! reacting
2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1, &
2,2,2,2,2,2,2,2,2,1,1,1 &
],shape(FCC_INTERACTIONTRANSTRANS)) !< Trans-trans interaction types for fcc
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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if(structure(1:3) == 'fcc') then
interactionTypes = FCC_INTERACTIONTRANSTRANS
NtransMax = LATTICE_FCC_NTRANSSYSTEM
else
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(structure))
end if
clearer structure
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to transpose already when constructing the interaction matrix
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interactionMatrix = buildInteraction(Ntrans,Ntrans,NtransMax,NtransMax,interactionValues,interactionTypes)
clearer structure
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fortran fast storage of interaction matrices
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end function lattice_interaction_TransByTrans
clearer structure
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also building interactions for slip-twin and twin-slip
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!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Slip-twin interaction matrix
!> details only active slip and twin systems are considered
also building interactions for slip-twin and twin-slip
2018-10-03 11:21:11 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
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function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure) result(interactionMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), allocatable :: NslipMax, &
NtwinMax
integer, dimension(:,:), allocatable :: interactionTypes
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTWIN = reshape( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> twin (acting)
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
clearer structure
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3,3,3,1,1,1,3,3,3,2,2,2, & ! v
to transpose already when constructing the interaction matrix
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3,3,3,1,1,1,2,2,2,3,3,3, & ! slip (reacting)
2,2,2,1,1,1,3,3,3,3,3,3, &
2,2,2,3,3,3,1,1,1,3,3,3, &
3,3,3,2,2,2,1,1,1,3,3,3, &
3,3,3,3,3,3,1,1,1,2,2,2, &
3,3,3,2,2,2,3,3,3,1,1,1, &
2,2,2,3,3,3,3,3,3,1,1,1, &
3,3,3,3,3,3,2,2,2,1,1,1, &
clearer structure
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to transpose already when constructing the interaction matrix
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4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4 &
],shape(FCC_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for fcc
cleaned - only define variables that are needed - define variables where they are needed
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!< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction
to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPTWIN = reshape( [&
3,3,3,2,2,3,3,3,3,2,3,3, & ! -----> twin (acting)
3,3,2,3,3,2,3,3,2,3,3,3, & ! |
3,2,3,3,3,3,2,3,3,3,3,2, & ! |
2,3,3,3,3,3,3,2,3,3,2,3, & ! v
2,3,3,3,3,3,3,2,3,3,2,3, & ! slip (reacting)
3,3,2,3,3,2,3,3,2,3,3,3, &
3,2,3,3,3,3,2,3,3,3,3,2, &
3,3,3,2,2,3,3,3,3,2,3,3, &
2,3,3,3,3,3,3,2,3,3,2,3, &
3,3,3,2,2,3,3,3,3,2,3,3, &
3,2,3,3,3,3,2,3,3,3,3,2, &
3,3,2,3,3,2,3,3,2,3,3,3, &
!
1,3,3,3,3,3,3,2,3,3,2,3, &
3,1,3,3,3,3,2,3,3,3,3,2, &
3,3,1,3,3,2,3,3,2,3,3,3, &
3,3,3,1,2,3,3,3,3,2,3,3, &
3,3,3,2,1,3,3,3,3,2,3,3, &
3,3,2,3,3,1,3,3,2,3,3,3, &
3,2,3,3,3,3,1,3,3,3,3,2, &
2,3,3,3,3,3,3,1,3,3,2,3, &
3,3,2,3,3,2,3,3,1,3,3,3, &
3,3,3,2,2,3,3,3,3,1,3,3, &
2,3,3,3,3,3,3,2,3,3,1,3, &
3,2,3,3,3,3,2,3,3,3,3,1 &
],shape(BCC_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for bcc
cleaned - only define variables that are needed - define variables where they are needed
2018-12-10 13:03:20 +05:30
!< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction
to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPTWIN = reshape( [&
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 (acting)
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
! v
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip (reacting)
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
!
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
!
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
!
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, &
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, &
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, &
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, &
!
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24 &
!
],shape(HEX_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for hex
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
interactionTypes = FCC_INTERACTIONSLIPTWIN
NslipMax = LATTICE_FCC_NSLIPSYSTEM
NtwinMax = LATTICE_FCC_NTWINSYSTEM
case('bcc')
interactionTypes = BCC_INTERACTIONSLIPTWIN
NslipMax = LATTICE_BCC_NSLIPSYSTEM
NtwinMax = LATTICE_BCC_NTWINSYSTEM
case('hex')
interactionTypes = HEX_INTERACTIONSLIPTWIN
NslipMax = LATTICE_HEX_NSLIPSYSTEM
NtwinMax = LATTICE_HEX_NTWINSYSTEM
case default
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes)
clearer structure
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fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
end function lattice_interaction_SlipByTwin
clearer structure
2020-02-25 22:02:49 +05:30
polishing/sorting
2018-12-11 05:09:50 +05:30
!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Slip-trans interaction matrix
!> details only active slip and trans systems are considered
polishing/sorting
2018-12-11 05:09:50 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structure) result(interactionMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction
character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), allocatable :: NslipMax, &
NtransMax
integer, dimension(:,:), allocatable :: interactionTypes
clearer structure
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to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTRANS = reshape( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> trans (acting)
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
3,3,3,1,1,1,3,3,3,2,2,2, & ! v
3,3,3,1,1,1,2,2,2,3,3,3, & ! slip (reacting)
2,2,2,1,1,1,3,3,3,3,3,3, &
2,2,2,3,3,3,1,1,1,3,3,3, &
3,3,3,2,2,2,1,1,1,3,3,3, &
3,3,3,3,3,3,1,1,1,2,2,2, &
3,3,3,2,2,2,3,3,3,1,1,1, &
2,2,2,3,3,3,3,3,3,1,1,1, &
3,3,3,3,3,3,2,2,2,1,1,1, &
clearer structure
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to transpose already when constructing the interaction matrix
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4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4, &
4,4,4,4,4,4,4,4,4,4,4,4 &
],shape(FCC_INTERACTIONSLIPTRANS)) !< Slip-trans interaction types for fcc
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
interactionTypes = FCC_INTERACTIONSLIPTRANS
NslipMax = LATTICE_FCC_NSLIPSYSTEM
NtransMax = LATTICE_FCC_NTRANSSYSTEM
case default
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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interactionMatrix = buildInteraction(Nslip,Ntrans,NslipMax,NtransMax,interactionValues,interactionTypes)
clearer structure
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to transpose already when constructing the interaction matrix
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end function lattice_interaction_SlipByTrans
clearer structure
2020-02-25 22:02:49 +05:30
also building interactions for slip-twin and twin-slip
2018-10-03 11:21:11 +05:30
!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Twin-slip interaction matrix
!> details only active twin and slip systems are considered
also building interactions for slip-twin and twin-slip
2018-10-03 11:21:11 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure) result(interactionMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), allocatable :: NtwinMax, &
NslipMax
integer, dimension(:,:), allocatable :: interactionTypes
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for fcc
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINSLIP = reshape( [&
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! ----> slip (acting)
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! v
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! twin (reacting)
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, &
!
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
!
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
!
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 &
],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-slip interaction types for hex
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
interactionTypes = FCC_INTERACTIONTWINSLIP
NtwinMax = LATTICE_FCC_NTWINSYSTEM
NslipMax = LATTICE_FCC_NSLIPSYSTEM
case('bcc')
interactionTypes = BCC_INTERACTIONTWINSLIP
NtwinMax = LATTICE_BCC_NTWINSYSTEM
NslipMax = LATTICE_BCC_NSLIPSYSTEM
case('hex')
interactionTypes = HEX_INTERACTIONTWINSLIP
NtwinMax = LATTICE_HEX_NTWINSYSTEM
NslipMax = LATTICE_HEX_NSLIPSYSTEM
case default
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes)
clearer structure
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fortran fast storage of interaction matrices
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end function lattice_interaction_TwinBySlip
clearer structure
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functionality to calculate SchmidMatrices
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!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Schmid matrix for slip
!> details only active slip systems are considered
functionality to calculate SchmidMatrices
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!--------------------------------------------------------------------------------------------------
WIP: polishing and implementing remaining functions
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function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA
real(pReal), dimension(3,3,sum(Nslip)) :: SchmidMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
real(pReal), dimension(:,:), allocatable :: slipSystems
integer, dimension(:), allocatable :: NslipMax
integer :: i
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_SchmidMatrix_slip: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
NslipMax = LATTICE_FCC_NSLIPSYSTEM
slipSystems = LATTICE_FCC_SYSTEMSLIP
case('bcc')
NslipMax = LATTICE_BCC_NSLIPSYSTEM
slipSystems = LATTICE_BCC_SYSTEMSLIP
case('hex')
NslipMax = LATTICE_HEX_NSLIPSYSTEM
slipSystems = LATTICE_HEX_SYSTEMSLIP
case('bct')
NslipMax = LATTICE_BCT_NSLIPSYSTEM
slipSystems = LATTICE_BCT_SYSTEMSLIP
case default
call IO_error(137,ext_msg='lattice_SchmidMatrix_slip: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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if (any(NslipMax(1:size(Nslip)) - Nslip < 0)) &
call IO_error(145,ext_msg='Nslip '//trim(structure))
if (any(Nslip < 0)) &
call IO_error(144,ext_msg='Nslip '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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coordinateSystem = buildCoordinateSystem(Nslip,NslipMax,slipSystems,structure,cOverA)
clearer structure
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to transpose already when constructing the interaction matrix
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do i = 1, sum(Nslip)
SchmidMatrix(1:3,1:3,i) = math_outer(coordinateSystem(1:3,1,i),coordinateSystem(1:3,2,i))
if (abs(math_trace33(SchmidMatrix(1:3,1:3,i))) > tol_math_check) &
call IO_error(0,i,ext_msg = 'dilatational Schmid matrix for slip')
enddo
clearer structure
2020-02-25 22:02:49 +05:30
more meaningful error messages
2018-09-12 17:33:45 +05:30
end function lattice_SchmidMatrix_slip
clearer structure
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generic function and interfaces for slipSlip, twinTwin, transTrans
2018-08-25 16:38:32 +05:30
!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Schmid matrix for twinning
!> details only active twin systems are considered
generic function and interfaces for slipSlip, twinTwin, transTrans
2018-08-25 16:38:32 +05:30
!--------------------------------------------------------------------------------------------------
unified error checking
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function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(3,3,sum(Ntwin)) :: SchmidMatrix
clearer structure
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to transpose already when constructing the interaction matrix
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real(pReal), dimension(3,3,sum(Ntwin)) :: coordinateSystem
real(pReal), dimension(:,:), allocatable :: twinSystems
integer, dimension(:), allocatable :: NtwinMax
integer :: i
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_SchmidMatrix_twin: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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select case(structure(1:3))
case('fcc')
NtwinMax = LATTICE_FCC_NTWINSYSTEM
twinSystems = LATTICE_FCC_SYSTEMTWIN
case('bcc')
NtwinMax = LATTICE_BCC_NTWINSYSTEM
twinSystems = LATTICE_BCC_SYSTEMTWIN
case('hex')
NtwinMax = LATTICE_HEX_NTWINSYSTEM
twinSystems = LATTICE_HEX_SYSTEMTWIN
case default
call IO_error(137,ext_msg='lattice_SchmidMatrix_twin: '//trim(structure))
end select
clearer structure
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to transpose already when constructing the interaction matrix
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if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
call IO_error(145,ext_msg='Ntwin '//trim(structure))
if (any(Ntwin < 0)) &
call IO_error(144,ext_msg='Ntwin '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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coordinateSystem = buildCoordinateSystem(Ntwin,NtwinMax,twinSystems,structure,cOverA)
clearer structure
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to transpose already when constructing the interaction matrix
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do i = 1, sum(Ntwin)
SchmidMatrix(1:3,1:3,i) = math_outer(coordinateSystem(1:3,1,i),coordinateSystem(1:3,2,i))
if (abs(math_trace33(SchmidMatrix(1:3,1:3,i))) > tol_math_check) &
call IO_error(0,i,ext_msg = 'dilatational Schmid matrix for twin')
enddo
clearer structure
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more error checking
2019-09-21 06:46:08 +05:30
end function lattice_SchmidMatrix_twin
clearer structure
2020-02-25 22:02:49 +05:30
trans systems now handled centrally remove inactive (= untested) definitions.
2018-12-22 12:19:52 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Schmid matrix for twinning
!> details only active twin systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc) result(SchmidMatrix)
clearer structure
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to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
character(len=*), intent(in) :: structure_target !< lattice structure
more error checking
2019-09-21 06:46:08 +05:30
real(pReal), intent(in) :: cOverA !< c/a ratio
to transpose already when constructing the interaction matrix
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real(pReal), dimension(3,3,sum(Ntrans)) :: SchmidMatrix
clearer structure
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better readable
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real(pReal), dimension(3,3,sum(Ntrans)) :: devNull
real(pReal) :: a_bcc, a_fcc
clearer structure
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to transpose already when constructing the interaction matrix
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if (len_trim(structure_target) /= 3) &
more error checking
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call IO_error(137,ext_msg='lattice_SchmidMatrix_trans: '//trim(structure_target))
to transpose already when constructing the interaction matrix
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if (structure_target(1:3) /= 'bcc' .and. structure_target(1:3) /= 'hex') &
more error checking
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call IO_error(137,ext_msg='lattice_SchmidMatrix_trans: '//trim(structure_target))
if (structure_target(1:3) == 'hex' .and. (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal)) &
call IO_error(131,ext_msg='lattice_SchmidMatrix_trans: '//trim(structure_target))
clearer structure
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more error checking
2019-09-21 06:46:08 +05:30
if (structure_target(1:3) == 'bcc' .and. (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal)) &
call IO_error(134,ext_msg='lattice_SchmidMatrix_trans: '//trim(structure_target))
clearer structure
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to transpose already when constructing the interaction matrix
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call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA,a_fcc,a_bcc)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
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end function lattice_SchmidMatrix_trans
clearer structure
2020-02-25 22:02:49 +05:30
cleavage systems avaialable as function
2018-10-16 01:59:23 +05:30
!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @brief Schmid matrix for cleavage
!> details only active cleavage systems are considered
cleavage systems avaialable as function
2018-10-16 01:59:23 +05:30
!--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(SchmidMatrix)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
2019-05-17 02:26:48 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(3,3,3,sum(Ncleavage)) :: SchmidMatrix
clearer structure
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to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(3,3,sum(Ncleavage)) :: coordinateSystem
real(pReal), dimension(:,:), allocatable :: cleavageSystems
integer, dimension(:), allocatable :: NcleavageMax
integer :: i
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_SchmidMatrix_cleavage: '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
select case(structure(1:3))
case('ort')
NcleavageMax = LATTICE_ORT_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_ORT_SYSTEMCLEAVAGE
case('fcc')
NcleavageMax = LATTICE_FCC_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_FCC_SYSTEMCLEAVAGE
case('bcc')
NcleavageMax = LATTICE_BCC_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_BCC_SYSTEMCLEAVAGE
case('hex')
NcleavageMax = LATTICE_HEX_NCLEAVAGESYSTEM
cleavageSystems = LATTICE_HEX_SYSTEMCLEAVAGE
case default
call IO_error(137,ext_msg='lattice_SchmidMatrix_cleavage: '//trim(structure))
end select
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
if (any(NcleavageMax(1:size(Ncleavage)) - Ncleavage < 0)) &
call IO_error(145,ext_msg='Ncleavage '//trim(structure))
if (any(Ncleavage < 0)) &
call IO_error(144,ext_msg='Ncleavage '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
coordinateSystem = buildCoordinateSystem(Ncleavage,NcleavageMax,cleavageSystems,structure,cOverA)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
do i = 1, sum(Ncleavage)
SchmidMatrix(1:3,1:3,1,i) = math_outer(coordinateSystem(1:3,1,i),coordinateSystem(1:3,2,i))
SchmidMatrix(1:3,1:3,2,i) = math_outer(coordinateSystem(1:3,3,i),coordinateSystem(1:3,2,i))
SchmidMatrix(1:3,1:3,3,i) = math_outer(coordinateSystem(1:3,2,i),coordinateSystem(1:3,2,i))
enddo
clearer structure
2020-02-25 22:02:49 +05:30
cleavage systems avaialable as function
2018-10-16 01:59:23 +05:30
end function lattice_SchmidMatrix_cleavage
clearer structure
2020-02-25 22:02:49 +05:30
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
!> @brief Slip direction of slip systems (|| b)
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
function lattice_slip_direction(Nslip,structure,cOverA) result(d)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(3,sum(Nslip)) :: d
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
d = coordinateSystem(1:3,1,1:sum(Nslip))
clearer structure
2020-02-25 22:02:49 +05:30
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
end function lattice_slip_direction
clearer structure
2020-02-25 22:02:49 +05:30
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
!> @brief Normal direction of slip systems (|| n)
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
function lattice_slip_normal(Nslip,structure,cOverA) result(n)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(3,sum(Nslip)) :: n
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
n = coordinateSystem(1:3,2,1:sum(Nslip))
clearer structure
2020-02-25 22:02:49 +05:30
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
end function lattice_slip_normal
provide slip system components as functions
2019-02-20 12:23:34 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
fortran fast storage of interaction matrices
2019-03-12 03:11:59 +05:30
!> @brief Transverse direction of slip systems ( || t = b x n)
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
function lattice_slip_transverse(Nslip,structure,cOverA) result(t)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(3,sum(Nslip)) :: t
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
t = coordinateSystem(1:3,3,1:sum(Nslip))
clearer structure
2020-02-25 22:02:49 +05:30
provide slip system components as functions
2019-02-20 12:23:34 +05:30
end function lattice_slip_transverse
clearer structure
2020-02-25 22:02:49 +05:30
forestprojection can be calculated centrally
2018-12-12 03:30:56 +05:30
!--------------------------------------------------------------------------------------------------
let lattice to the work
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!> @brief Projection of the transverse direction onto the slip plane
fracture modes are calculated differently
2019-03-09 17:18:01 +05:30
!> @details: This projection is used to calculate forest hardening for edge dislocations
forestprojection can be calculated centrally
2018-12-12 03:30:56 +05:30
!--------------------------------------------------------------------------------------------------
let lattice to the work
2019-02-20 04:25:59 +05:30
function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
clearer structure
2020-02-25 22:02:49 +05:30
better explicit
2019-09-21 21:46:58 +05:30
real(pReal), dimension(3,sum(Nslip)) :: n, t
integer :: i, j
clearer structure
2020-02-25 22:02:49 +05:30
better explicit
2019-09-21 21:46:58 +05:30
n = lattice_slip_normal (Nslip,structure,cOverA)
t = lattice_slip_transverse(Nslip,structure,cOverA)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
do i=1, sum(Nslip); do j=1, sum(Nslip)
better explicit
2019-09-21 21:46:58 +05:30
projection(i,j) = abs(math_inner(n(:,i),t(:,j)))
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
enddo; enddo
clearer structure
2020-02-25 22:02:49 +05:30
let lattice to the work
2019-02-20 04:25:59 +05:30
end function slipProjection_transverse
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Labels for slip systems
!> details only active slip systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_labels_slip(Nslip,structure) result(labels)
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
character(len=:), dimension(:), allocatable :: labels
real(pReal), dimension(:,:), allocatable :: slipSystems
integer, dimension(:), allocatable :: NslipMax
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_labels_slip: '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
select case(structure(1:3))
case('fcc')
NslipMax = LATTICE_FCC_NSLIPSYSTEM
slipSystems = LATTICE_FCC_SYSTEMSLIP
case('bcc')
NslipMax = LATTICE_BCC_NSLIPSYSTEM
slipSystems = LATTICE_BCC_SYSTEMSLIP
case('hex')
NslipMax = LATTICE_HEX_NSLIPSYSTEM
slipSystems = LATTICE_HEX_SYSTEMSLIP
case('bct')
NslipMax = LATTICE_BCT_NSLIPSYSTEM
slipSystems = LATTICE_BCT_SYSTEMSLIP
case default
call IO_error(137,ext_msg='lattice_labels_slip: '//trim(structure))
end select
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
if (any(NslipMax(1:size(Nslip)) - Nslip < 0)) &
call IO_error(145,ext_msg='Nslip '//trim(structure))
if (any(Nslip < 0)) &
call IO_error(144,ext_msg='Nslip '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
shape is known (no need for automatic allocation)
2020-01-03 18:03:32 +05:30
labels = getLabels(Nslip,NslipMax,slipSystems)
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
end function lattice_labels_slip
!--------------------------------------------------------------------------------------------------
!> @brief Labels for twin systems
!> details only active twin systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_labels_twin(Ntwin,structure) result(labels)
integer, dimension(:), intent(in) :: Ntwin !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
character(len=:), dimension(:), allocatable :: labels
real(pReal), dimension(:,:), allocatable :: twinSystems
integer, dimension(:), allocatable :: NtwinMax
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
select case(structure(1:3))
case('fcc')
NtwinMax = LATTICE_FCC_NTWINSYSTEM
twinSystems = LATTICE_FCC_SYSTEMTWIN
case('bcc')
NtwinMax = LATTICE_BCC_NTWINSYSTEM
twinSystems = LATTICE_BCC_SYSTEMTWIN
case('hex')
NtwinMax = LATTICE_HEX_NTWINSYSTEM
twinSystems = LATTICE_HEX_SYSTEMTWIN
case default
call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
end select
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
call IO_error(145,ext_msg='Ntwin '//trim(structure))
if (any(Ntwin < 0)) &
call IO_error(144,ext_msg='Ntwin '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
shape is known (no need for automatic allocation)
2020-01-03 18:03:32 +05:30
labels = getLabels(Ntwin,NtwinMax,twinSystems)
clearer structure
2020-02-25 22:02:49 +05:30
get labels of slip and twin systems this info is for HDF5 output
2019-10-10 16:41:02 +05:30
end function lattice_labels_twin
let lattice to the work
2019-02-20 04:25:59 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Projection of the slip direction onto the slip plane
fracture modes are calculated differently
2019-03-09 17:18:01 +05:30
!> @details: This projection is used to calculate forest hardening for screw dislocations
let lattice to the work
2019-02-20 04:25:59 +05:30
!--------------------------------------------------------------------------------------------------
function slipProjection_direction(Nslip,structure,cOverA) result(projection)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
clearer structure
2020-02-25 22:02:49 +05:30
better explicit
2019-09-21 21:46:58 +05:30
real(pReal), dimension(3,sum(Nslip)) :: n, d
integer :: i, j
clearer structure
2020-02-25 22:02:49 +05:30
better explicit
2019-09-21 21:46:58 +05:30
n = lattice_slip_normal (Nslip,structure,cOverA)
d = lattice_slip_direction(Nslip,structure,cOverA)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
do i=1, sum(Nslip); do j=1, sum(Nslip)
better explicit
2019-09-21 21:46:58 +05:30
projection(i,j) = abs(math_inner(n(:,i),d(:,j)))
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
enddo; enddo
clearer structure
2020-02-25 22:02:49 +05:30
let lattice to the work
2019-02-20 04:25:59 +05:30
end function slipProjection_direction
clearer structure
2020-02-25 22:02:49 +05:30
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief build a local coordinate system on slip systems
!> @details Order: Direction, plane (normal), and common perpendicular
!--------------------------------------------------------------------------------------------------
function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
don't clutter the code with useless stuff we only need to be more strict about prefixing functions/subroutines/variables to see in which module they reside
2019-05-17 02:26:48 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(:,:), allocatable :: slipSystems
integer, dimension(:), allocatable :: NslipMax
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='coordinateSystem_slip: '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
select case(structure(1:3))
case('fcc')
NslipMax = LATTICE_FCC_NSLIPSYSTEM
slipSystems = LATTICE_FCC_SYSTEMSLIP
case('bcc')
NslipMax = LATTICE_BCC_NSLIPSYSTEM
slipSystems = LATTICE_BCC_SYSTEMSLIP
case('hex')
NslipMax = LATTICE_HEX_NSLIPSYSTEM
slipSystems = LATTICE_HEX_SYSTEMSLIP
case('bct')
NslipMax = LATTICE_BCT_NSLIPSYSTEM
slipSystems = LATTICE_BCT_SYSTEMSLIP
case default
call IO_error(137,ext_msg='coordinateSystem_slip: '//trim(structure))
end select
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
if (any(NslipMax(1:size(Nslip)) - Nslip < 0)) &
call IO_error(145,ext_msg='Nslip '//trim(structure))
if (any(Nslip < 0)) &
call IO_error(144,ext_msg='Nslip '//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
coordinateSystem = buildCoordinateSystem(Nslip,NslipMax,slipSystems,structure,cOverA)
clearer structure
2020-02-25 22:02:49 +05:30
provide slip system components as functions
2019-02-20 12:23:34 +05:30
end function coordinateSystem_slip
clearer structure
2020-02-25 22:02:49 +05:30
commenting
2018-09-08 23:02:26 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Populates reduced interaction matrix
!--------------------------------------------------------------------------------------------------
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix)
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
integer, dimension(:), intent(in) :: &
reacting_used, & !< # of reacting systems per family as specified in material.config
acting_used, & !< # of acting systems per family as specified in material.config
reacting_max, & !< max # of reacting systems per family for given lattice
acting_max !< max # of acting systems per family for given lattice
real(pReal), dimension(:), intent(in) :: values !< interaction values
integer, dimension(:,:), intent(in) :: matrix !< interaction types
real(pReal), dimension(sum(reacting_used),sum(acting_used)) :: buildInteraction
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
integer :: &
acting_family_index, acting_family, acting_system, &
reacting_family_index, reacting_family, reacting_system, &
i,j,k,l
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
do acting_family = 1,size(acting_used,1)
acting_family_index = sum(acting_used(1:acting_family-1))
do acting_system = 1,acting_used(acting_family)
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
do reacting_family = 1,size(reacting_used,1)
reacting_family_index = sum(reacting_used(1:reacting_family-1))
do reacting_system = 1,reacting_used(reacting_family)
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
i = sum( acting_max(1: acting_family-1)) + acting_system
j = sum(reacting_max(1:reacting_family-1)) + reacting_system
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
k = acting_family_index + acting_system
l = reacting_family_index + reacting_system
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
if (matrix(i,j) > size(values)) call IO_error(138,ext_msg='buildInteraction')
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
buildInteraction(l,k) = values(matrix(i,j))
clearer structure
2020-02-25 22:02:49 +05:30
2 space indentation
2020-02-26 22:25:19 +05:30
enddo; enddo
enddo; enddo
clearer structure
2020-02-25 22:02:49 +05:30
generic function and interfaces for slipSlip, twinTwin, transTrans
2018-08-25 16:38:32 +05:30
end function buildInteraction
clearer structure
2020-02-25 22:02:49 +05:30
functionality to calculate SchmidMatrices
2018-08-25 22:02:55 +05:30
!--------------------------------------------------------------------------------------------------
provide slip system components as functions
2019-02-20 12:23:34 +05:30
!> @brief build a local coordinate system on slip, twin, trans, cleavage systems
polished sanity checks + documentation
2018-12-12 04:59:19 +05:30
!> @details Order: Direction, plane (normal), and common perpendicular
functionality to calculate SchmidMatrices
2018-08-25 22:02:55 +05:30
!--------------------------------------------------------------------------------------------------
polishing/unifying names
2019-10-10 15:56:45 +05:30
function buildCoordinateSystem(active,potential,system,structure,cOverA)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
integer, dimension(:), intent(in) :: &
we consider indvidual systems, not families
2020-01-03 16:30:19 +05:30
active, & !< # of active systems per family
potential !< # of potential systems per family
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(:,:), intent(in) :: &
system
character(len=*), intent(in) :: &
structure !< lattice structure
real(pReal), intent(in) :: &
cOverA
real(pReal), dimension(3,3,sum(active)) :: &
buildCoordinateSystem
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
real(pReal), dimension(3) :: &
direction, normal
integer :: &
a, & !< index of active system
polishing/unifying names
2019-10-10 15:56:45 +05:30
p, & !< index in potential system matrix
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
f, & !< index of my family
s !< index of my system in current family
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='buildCoordinateSystem: '//trim(structure))
if (trim(structure(1:3)) == 'bct' .and. cOverA > 2.0_pReal) &
call IO_error(131,ext_msg='buildCoordinateSystem:'//trim(structure))
if (trim(structure(1:3)) == 'hex' .and. (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal)) &
call IO_error(131,ext_msg='buildCoordinateSystem:'//trim(structure))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
a = 0
activeFamilies: do f = 1,size(active,1)
activeSystems: do s = 1,active(f)
a = a + 1
polishing/unifying names
2019-10-10 15:56:45 +05:30
p = sum(potential(1:f-1))+s
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
select case(trim(structure(1:3)))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
case ('fcc','bcc','iso','ort','bct')
polishing/unifying names
2019-10-10 15:56:45 +05:30
direction = system(1:3,p)
normal = system(4:6,p)
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
case ('hex')
polishing/unifying names
2019-10-10 15:56:45 +05:30
direction = [ system(1,p)*1.5_pReal, &
(system(1,p)+2.0_pReal*system(2,p))*sqrt(0.75_pReal), &
system(4,p)*cOverA ] ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(p/a)])
normal = [ system(5,p), &
(system(5,p)+2.0_pReal*system(6,p))/sqrt(3.0_pReal), &
system(8,p)/cOverA ] ! plane (hkil)->(h (h+2k)/sqrt(3) l/(p/a))
clearer structure
2020-02-25 22:02:49 +05:30
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
case default
call IO_error(137,ext_msg='buildCoordinateSystem: '//trim(structure))
clearer structure
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to transpose already when constructing the interaction matrix
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end select
clearer structure
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to transpose already when constructing the interaction matrix
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buildCoordinateSystem(1:3,1,a) = direction/norm2(direction)
better readable
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buildCoordinateSystem(1:3,2,a) = normal /norm2(normal)
buildCoordinateSystem(1:3,3,a) = math_cross(direction/norm2(direction),&
normal /norm2(normal))
clearer structure
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to transpose already when constructing the interaction matrix
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enddo activeSystems
enddo activeFamilies
clearer structure
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functionality to calculate SchmidMatrices
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end function buildCoordinateSystem
clearer structure
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forestprojection can be calculated centrally
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!--------------------------------------------------------------------------------------------------
polished sanity checks + documentation
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!> @brief Helper function to define transformation systems
trans systems now handled centrally remove inactive (= untested) definitions.
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! Needed to calculate Schmid matrix and rotated stiffness matrices.
! @details: set c/a = 0.0 for fcc -> bcc transformation
more error checking
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! set a_Xcc = 0.0 for fcc -> hex transformation
forestprojection can be calculated centrally
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!--------------------------------------------------------------------------------------------------
trans systems now handled centrally remove inactive (= untested) definitions.
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subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
clearer structure
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to transpose already when constructing the interaction matrix
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integer, dimension(:), intent(in) :: &
Ntrans
real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: &
Q, & !< Total rotation: Q = R*B
S !< Eigendeformation tensor for phase transformation
real(pReal), intent(in) :: &
cOverA, & !< c/a for target hex structure
a_bcc, & !< lattice parameter a for target bcc structure
a_fcc !< lattice parameter a for parent fcc structure
clearer structure
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getting rid of conversions with unclear behavior
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type(rotation) :: &
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R, & !< Pitsch rotation
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B !< Rotation of fcc to Bain coordinate system
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real(pReal), dimension(3,3) :: &
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U, & !< Bain deformation
ss, sd
real(pReal), dimension(3) :: &
x, y, z
integer :: &
i
real(pReal), dimension(3+3,LATTICE_FCC_NTRANS), parameter :: &
LATTICE_FCCTOHEX_SYSTEMTRANS = reshape(real( [&
-2, 1, 1, 1, 1, 1, &
1,-2, 1, 1, 1, 1, &
1, 1,-2, 1, 1, 1, &
2,-1, 1, -1,-1, 1, &
-1, 2, 1, -1,-1, 1, &
-1,-1,-2, -1,-1, 1, &
-2,-1,-1, 1,-1,-1, &
1, 2,-1, 1,-1,-1, &
1,-1, 2, 1,-1,-1, &
2, 1,-1, -1, 1,-1, &
-1,-2,-1, -1, 1,-1, &
-1, 1, 2, -1, 1,-1 &
],pReal),shape(LATTICE_FCCTOHEX_SYSTEMTRANS))
real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter :: &
LATTICE_FCCTOBCC_SYSTEMTRANS = reshape([&
0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
getting rid of conversions with unclear behavior
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0.0,-1.0, 0.0, 10.26, &
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0.0, 0.0, 1.0, 10.26, &
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0.0, 0.0,-1.0, 10.26, &
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1.0, 0.0, 0.0, 10.26, &
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-1.0, 0.0, 0.0, 10.26, &
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0.0, 0.0, 1.0, 10.26, &
getting rid of conversions with unclear behavior
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0.0, 0.0,-1.0, 10.26, &
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1.0, 0.0, 0.0, 10.26, &
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-1.0, 0.0, 0.0, 10.26, &
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0.0, 1.0, 0.0, 10.26, &
getting rid of conversions with unclear behavior
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0.0,-1.0, 0.0, 10.26 &
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],shape(LATTICE_FCCTOBCC_SYSTEMTRANS))
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integer, dimension(9,LATTICE_fcc_Ntrans), parameter :: &
LATTICE_FCCTOBCC_BAINVARIANT = reshape( [&
1, 0, 0, 0, 1, 0, 0, 0, 1, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
1, 0, 0, 0, 1, 0, 0, 0, 1, &
1, 0, 0, 0, 1, 0, 0, 0, 1, &
1, 0, 0, 0, 1, 0, 0, 0, 1, &
0, 1, 0, 1, 0, 0, 0, 0, 1, &
0, 1, 0, 1, 0, 0, 0, 0, 1, &
0, 1, 0, 1, 0, 0, 0, 0, 1, &
0, 1, 0, 1, 0, 0, 0, 0, 1, &
0, 0, 1, 1, 0, 0, 0, 1, 0, &
0, 0, 1, 1, 0, 0, 0, 1, 0, &
0, 0, 1, 1, 0, 0, 0, 1, 0, &
0, 0, 1, 1, 0, 0, 0, 1, 0 &
],shape(LATTICE_FCCTOBCC_BAINVARIANT))
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real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter :: &
LATTICE_FCCTOBCC_BAINROT = reshape([&
1.0, 0.0, 0.0, 45.0, & ! Rotate fcc austensite to bain variant
1.0, 0.0, 0.0, 45.0, &
1.0, 0.0, 0.0, 45.0, &
1.0, 0.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0 &
],shape(LATTICE_FCCTOBCC_BAINROT))
clearer structure
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more error checking
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if (a_bcc > 0.0_pReal .and. a_fcc > 0.0_pReal .and. dEq0(cOverA)) then ! fcc -> bcc transformation
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do i = 1,sum(Ntrans)
same names as in python
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call R%fromAxisAngle(LATTICE_FCCTOBCC_SYSTEMTRANS(:,i),degrees=.true.,P=1)
call B%fromAxisAngle(LATTICE_FCCTOBCC_BAINROT(:,i), degrees=.true.,P=1)
getting rid of conversions with unclear behavior
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x = real(LATTICE_FCCTOBCC_BAINVARIANT(1:3,i),pReal)
y = real(LATTICE_FCCTOBCC_BAINVARIANT(4:6,i),pReal)
z = real(LATTICE_FCCTOBCC_BAINVARIANT(7:9,i),pReal)
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to transpose already when constructing the interaction matrix
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U = (a_bcc/a_fcc)*math_outer(x,x) &
+ (a_bcc/a_fcc)*math_outer(y,y) * sqrt(2.0_pReal) &
+ (a_bcc/a_fcc)*math_outer(z,z) * sqrt(2.0_pReal)
same names as in python
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Q(1:3,1:3,i) = matmul(R%asMatrix(),B%asMatrix())
S(1:3,1:3,i) = matmul(R%asMatrix(),U) - MATH_I3
to transpose already when constructing the interaction matrix
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enddo
elseif (cOverA > 0.0_pReal .and. dEq0(a_bcc)) then ! fcc -> hex transformation
ss = MATH_I3
sd = MATH_I3
ss(1,3) = sqrt(2.0_pReal)/4.0_pReal
more error checking
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sd(3,3) = cOverA/sqrt(8.0_pReal/3.0_pReal)
clearer structure
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do i = 1,sum(Ntrans)
getting rid of conversions with unclear behavior
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x = LATTICE_FCCTOHEX_SYSTEMTRANS(1:3,i)/norm2(LATTICE_FCCTOHEX_SYSTEMTRANS(1:3,i))
z = LATTICE_FCCTOHEX_SYSTEMTRANS(4:6,i)/norm2(LATTICE_FCCTOHEX_SYSTEMTRANS(4:6,i))
to transpose already when constructing the interaction matrix
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y = -math_cross(x,z)
Q(1:3,1,i) = x
Q(1:3,2,i) = y
Q(1:3,3,i) = z
S(1:3,1:3,i) = matmul(Q(1:3,1:3,i), matmul(matmul(sd,ss), transpose(Q(1:3,1:3,i)))) - MATH_I3 ! ToDo: This is of interest for the Schmid matrix only
enddo
else
more error checking
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call IO_error(132,ext_msg='buildTransformationSystem')
to transpose already when constructing the interaction matrix
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endif
getting rid of conversions with unclear behavior
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trans systems now handled centrally remove inactive (= untested) definitions.
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end subroutine buildTransformationSystem
get labels of slip and twin systems this info is for HDF5 output
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!--------------------------------------------------------------------------------------------------
!> @brief select active systems as strings
!--------------------------------------------------------------------------------------------------
cleaning
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function getlabels(active,potential,system) result(labels)
clearer structure
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we consider indvidual systems, not families
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integer, dimension(:), intent(in) :: &
active, & !< # of active systems per family
potential !< # of potential systems per family
real(pReal), dimension(:,:), intent(in) :: &
get labels of slip and twin systems this info is for HDF5 output
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system
character(len=:), dimension(:), allocatable :: labels
character(len=:), allocatable :: label
clearer structure
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integer :: i,j
get labels of slip and twin systems this info is for HDF5 output
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integer :: &
a, & !< index of active system
typo!
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p, & !< index in potential system matrix
get labels of slip and twin systems this info is for HDF5 output
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f, & !< index of my family
s !< index of my system in current family
i = 2*size(system,1) + (size(system,1) - 2) + 4 ! 2 letters per index + spaces + brackets
allocate(character(len=i) :: labels(sum(active)), label)
clearer structure
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get labels of slip and twin systems this info is for HDF5 output
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a = 0
activeFamilies: do f = 1,size(active,1)
activeSystems: do s = 1,active(f)
a = a + 1
p = sum(potential(1:f-1))+s
clearer structure
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get labels of slip and twin systems this info is for HDF5 output
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i = 1
we consider indvidual systems, not families
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label(i:i) = '['
get labels of slip and twin systems this info is for HDF5 output
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direction: do j = 1, size(system,1)/2
write(label(i+1:i+2),"(I2.1)") int(system(j,p))
label(i+3:i+3) = ' '
i = i + 3
enddo direction
label(i:i) = ']'
clearer structure
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get labels of slip and twin systems this info is for HDF5 output
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i = i +1
we consider indvidual systems, not families
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label(i:i) = '('
get labels of slip and twin systems this info is for HDF5 output
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normal: do j = size(system,1)/2+1, size(system,1)
write(label(i+1:i+2),"(I2.1)") int(system(j,p))
label(i+3:i+3) = ' '
i = i + 3
enddo normal
label(i:i) = ')'
clearer structure
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get labels of slip and twin systems this info is for HDF5 output
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labels(s) = label
enddo activeSystems
enddo activeFamilies
clearer structure
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get labels of slip and twin systems this info is for HDF5 output
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end function getlabels
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end module lattice