223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'char-twin-simplification2' into 'development' 

Char twin simplification2

See merge request damask/DAMASK!855
This commit is contained in:
Daniel Otto de Mentock 2023-11-24 09:16:04 +00:00
parent f6c463d2a6 b9e41732d4
commit bfa1cf6773
1 changed files with 25 additions and 35 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

60
src/crystal.f90
View File

@ -431,44 +431,34 @@ function crystal_characteristicShear_Twin(Ntwin,lattice,CoverA) result(character
real(pREAL), dimension(sum(Ntwin)) :: characteristicShear real(pREAL), dimension(sum(Ntwin)) :: characteristicShear
integer :: & integer :: &
a, & !< index of active system
f, & !< index of my family f, & !< index of my family
s !< index of my system in current family s, e
integer, dimension(size(HP_NTWINSYSTEM)), parameter :: &
HP_SHEARTWIN = [&
1, & ! <-10.1>{10.2}
2, & ! <11.6>{-1-1.1}
3, & ! <10.-2>{10.1}
4 & ! <11.-3>{11.2}
] !< indicator to formulas below
a = 0 select case(lattice)
myFamilies: do f = 1,size(Ntwin,1) case('cF','cI') ! 10.1016/0079-6425(94)00007-7, Table 1
mySystems: do s = 1,Ntwin(f) characteristicShear = 0.5_pREAL*sqrt(2.0_pREAL)
a = a + 1 case('hP') ! 10.1016/0079-6425(94)00007-7, Table 3
select case(lattice) if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) &
case('cF','cI') call IO_error(131,ext_msg='crystal_characteristicShear_Twin')
characteristicShear(a) = 0.5_pREAL*sqrt(2.0_pREAL)
case('hP') myFamilies: do f = 1,size(Ntwin,1)
if (cOverA < 1.0_pREAL .or. cOverA > 2.0_pREAL) & s = sum(Ntwin(:f-1)) + 1
call IO_error(131,ext_msg='crystal_characteristicShear_Twin') e = sum(Ntwin(:f))
select case(HP_SHEARTWIN(f)) ! from Christian & Mahajan 1995 p.29 select case(f)
case (1) ! <-10.1>{10.2} case (1) ! <-10.1>{10.2}
characteristicShear(a) = (3.0_pREAL-cOverA**2)/sqrt(3.0_pREAL)/CoverA characteristicShear(s:e) = (3.0_pREAL-cOverA**2)/sqrt(3.0_pREAL)/CoverA
case (2) ! <11.6>{-1-1.1} case (2) ! <11.6>{-1-1.1}
characteristicShear(a) = 1.0_pREAL/cOverA characteristicShear(s:e) = 1.0_pREAL/cOverA
case (3) ! <10.-2>{10.1} case (3) ! <10.-2>{10.1}
characteristicShear(a) = (4.0_pREAL*cOverA**2-9.0_pREAL)/sqrt(48.0_pREAL)/cOverA characteristicShear(s:e) = (4.0_pREAL*cOverA**2-9.0_pREAL)/sqrt(48.0_pREAL)/cOverA
case (4) ! <11.-3>{11.2} case (4) ! <11.-3>{11.2}
characteristicShear(a) = 2.0_pREAL*(cOverA**2-2.0_pREAL)/3.0_pREAL/cOverA characteristicShear(s:e) = 2.0_pREAL*(cOverA**2-2.0_pREAL)/3.0_pREAL/cOverA
end select end select
case default end do myFamilies
call IO_error(137,ext_msg='crystal_characteristicShear_Twin: '//trim(lattice)) case default
end select call IO_error(137,ext_msg='crystal_characteristicShear_Twin: '//trim(lattice))
end do mySystems end select
end do myFamilies
end function crystal_characteristicShear_Twin end function crystal_characteristicShear_Twin