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DAMASK_EICMD
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fixed (probably severe) bug in hexagonal twin system transformation into ortho-hexagonal coordinates. 

cleaning up of twin system nomenclature

introduced lookup mechanism  to calculate the twinning shears depending on the c/a ratio of the present structure (was [wrongly!!] hardcoded to Titanium)
This commit is contained in:
Philip Eisenlohr 2009-10-20 16:13:25 +00:00
parent c1ee34d235
commit e1586d5059
1 changed files with 46 additions and 35 deletions
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81
code/lattice.f90
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@ -465,25 +465,25 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
real(pReal), dimension(4+4,lattice_hex_Ntwin), parameter :: lattice_hex_systemTwin = &
reshape((/&
0, 1, -1, 1, 0, -1, 1, 2, & ! <1011>{1012} Twin: shear 0.169 -1.26 compression
0, 1, -1, 1, 0, -1, 1, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
-1, 1, 0, 1, 1, -1, 0, 2, &
-1, 0, 1, 1, 1, 0, -1, 2, &
-1, 0, 1, 1, 1, 0, -1, 2, & !!
0, -1, 1, 1, 0, 1, -1, 2, &
1, -1, 0, 1, -1, 1, 0, 2, &
1, 0, -1, 1, -1, 0, 1, 2, &
2, -1, -1, -3, 2, -1, -1, 2, & ! <211-2>{2112} Twin: shear 0.224 1.19 tension
1, 1, -2, -3, 1, 1, -2, 2, &
2, -1, -1, -3, 2, -1, -1, 2, & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
1, 1, -2, -3, 1, 1, -2, 2, & !!
-1, 2, -1, -3, -1, 2, -1, 2, &
-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, 6, 2, -1, -1, 1, & ! <211-6>{2111} Twin: shear 0.628 -0.39 compression
-1, -1, 2, 6, 1, 1, -2, 1, &
-2, 1, 1, 6, 2, -1, -1, 1, & ! <-1-1.6>{11.1} shear = 1/(c/a)
-1, -1, 2, 6, 1, 1, -2, 1, & !!
1, -2, 1, 6, -1, 2, -1, 1, &
2, -1, -1, 6, -2, 1, 1, 1, &
1, 1, -2, 6, -1, -1, 2, 1, &
-1, 2, -1, 6, 1, -2, 1, 1, &
1, 0, -1, -2, 1, 0, -1, 1, & ! <101-2>{1011} Twin: shear 0.103 1.09 tension
1, 0, -1, -2, 1, 0, -1, 1, & !! <10.-2>{10.1} shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
-1, 0, 1, -2, -1, 0, 1, 1, &
0, 1, -1, -2, 0, 1, -1, 1, &
0, -1, 1, -2, 0, -1, 1, 1, &
@ -491,32 +491,32 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
-1, 1, 0, -2, -1, 1, 0, 1 &
/),(/4+4,lattice_hex_Ntwin/)) !* Sort? Numbering of twin system follows Prof. Tom Bieler's scheme (to be consistent with his work); but numbering in data was restarted from 1 &
real(pReal), dimension(lattice_hex_Ntwin), parameter :: lattice_hex_shearTwin = &
integer(pInt), dimension(lattice_hex_Ntwin), parameter :: lattice_hex_shearTwin = & ! indicator to formula further below
reshape((/&
0.169, & ! <1011>{1012} Twin: shear 0.169 -1.26 tensile
0.169, &
0.169, &
0.169, &
0.169, &
0.169, &
0.224, & ! <211-2>{2112} Twin: shear 0.224 1.19 compressive
0.224, &
0.224, &
0.224, &
0.224, &
0.224, &
0.628, & ! <211-6>{2111} Twin: shear 0.628 -0.39 tensile
0.628, &
0.628, &
0.628, &
0.628, &
0.628, &
0.103, & ! <101-2>{1011} Twin: shear 0.103 1.09 compressive
0.103, &
0.103, &
0.103, &
0.103, &
0.103 &
1, & ! {10.2}<-10.1>
1, &
1, &
1, &
1, &
1, &
2, & ! {11.2}<11.-3>
2, &
2, &
2, &
2, &
2, &
3, & ! {11.1}<-1-1.6>
3, &
3, &
3, &
3, &
3, &
4, & ! {10.1}<10.-2>
4, &
4, &
4, &
4, &
4 &
/),(/lattice_hex_Ntwin/))
!* four different interaction type matrix
@ -809,14 +809,25 @@ function lattice_initializeStructure(struct,CoverA)
hex_d(1) = lattice_hex_systemTwin(1,i)*1.5_pReal
hex_d(2) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*(0.5_pReal*dsqrt(3.0_pReal))
hex_d(3) = lattice_hex_systemTwin(4,i)*CoverA
hex_n(1) = lattice_hex_systemTwin(4,i)
hex_n(2) = (lattice_hex_systemTwin(4,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/dsqrt(3.0_pReal)
hex_n(1) = lattice_hex_systemTwin(5,i)
hex_n(2) = (lattice_hex_systemTwin(5,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/dsqrt(3.0_pReal)
hex_n(3) = lattice_hex_systemTwin(8,i)/CoverA
td(:,i) = hex_d/dsqrt(math_mul3x3(hex_d,hex_d))
tn(:,i) = hex_n/dsqrt(math_mul3x3(hex_n,hex_n))
tt(:,i) = math_vectorproduct(td(:,i),tn(:,i))
ts(i) = lattice_hex_shearTwin(i)
select case(lattice_hex_shearTwin(i)) ! from Christian & Mahajan 1995 p.29
case (1) ! {10.2}<-10.1>
ts(i) = (3.0_pReal-CoverA*CoverA)/dsqrt(3.0_pReal)/CoverA
case (2) ! {11.2}<11.-3>
ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
case (3) ! {11.1}<-1-1.6>
ts(i) = 1.0_pReal/CoverA
case (4) ! {10.1}<10.-2>
ts(i) = (4.0_pReal*CoverA*CoverA-9.0_pReal)/4.0_pReal/dsqrt(3.0_pReal)/CoverA
end select
enddo
interactionSlipSlip => lattice_hex_interactionSlipSlip
interactionSlipTwin => lattice_hex_interactionSlipTwin