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Minor changes to correspondence matrix

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achalhp 2024-04-09 16:48:50 +05:30
parent 66f41f6a2e
commit 4989a1665b
2 changed files with 46 additions and 20 deletions
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correspondence_matrix.f90
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@ -18,13 +18,13 @@ function math_axisAngleToR(axis,omega) result(math_axisAngleToR1)
1, 0, 0, & 1, 0, 0, &
0, 1, 0, & 0, 1, 0, &
0, 0, 1 & 0, 0, 1 &
],shape(I3))) !< 3x3 Identity ],shape(I3))) !< 3x3 Identity
real, dimension(3,3) :: math_axisAngleToR1 real, dimension(3,3) :: math_axisAngleToR1
norm = norm2(axis) norm = norm2(axis)
wellDefined: if (norm > 1.0e-8) then wellDefined: if (norm > 1.0e-8) then
n = axis/norm ! normalize axis to be sure n = axis/norm ! normalize axis to be sure
s = sin(omega) s = sin(omega)
c = cos(omega) c = cos(omega)
@ -112,23 +112,26 @@ program corresponcence_matrix
1, 0, 0, & 1, 0, 0, &
0, 1, 0, & 0, 1, 0, &
0, 0, 1 & 0, 0, 1 &
],shape(I3))) !< 3x3 Identity ],shape(I3))) !< 3x3 Identity
integer :: & integer :: &
a, & !< index of active system a, & !< index of active system
p, & !< index in potential system matrix p, & !< index in potential system matrix
f, & !< index of my family f, & !< index of my family
s, f1, s1, e1, i, j, k !< index of my system in current family s, & !< index of my system in current family
f1, s1, e1, i, j, k !< indices for similar loops
!--------------------------------------------------------------------
!> Normal vector to twin plane and direction vector of the twin
!--------------------------------------------------------------------
a = 0 a = 0
do f = 1, size(active,1) !< Loops 1 to 4 for hP do f = 1, size(active,1) !< Active Twin Modes
do s = 1, active(f) !< 1 to 6 two times do s = 1, active(f) !< Active twin systems
a = a + 1 a = a + 1
p = sum(potential(1:f-1))+s !< 1 to 6 and 13 to 18 p = sum(potential(1:f-1))+s
direction = [ system(1,p)*1.5, & direction = [ system(1,p)*1.5, &
(system(1,p)+2.0*system(2,p))*sqrt(0.75), & (system(1,p)+2.0*system(2,p))*sqrt(0.75), &
@ -146,7 +149,11 @@ program corresponcence_matrix
end do end do
end do end do
do f1 = 1,size(active,1) !--------------------------------------------------------------------
!> Magnitude of Characteristic shear for twinning modes
!--------------------------------------------------------------------
do f1 = 1,size(active,1) !< Active twin modes
s1 = sum(active(:f1-1)) + 1 s1 = sum(active(:f1-1)) + 1
e1 = sum(active(:f1)) e1 = sum(active(:f1))
select case(f1) select case(f1)
@ -161,29 +168,48 @@ program corresponcence_matrix
end select end select
enddo enddo
write(6,*)'characteristic shear, 1, 0, -1, 1, -1, 0, 1, 2, = ',characteristicShear(4) !> Write results for characteristic shear
write(6,*)'characteristic shear, -1, -1, 2, 6, 1, 1, -2, 1, =',characteristicShear(7)
write(6,*)'characteristic shear, 1, 0, -1, -2, 1, 0, -1, 1, =',characteristicShear(13)
write(6,*)'characteristic shear, 1, 1, -2, -3, 1, 1, -2, 2, =',characteristicShear(19)
write(6,*)'characteristic shear, for [1, 0, -1, 1],(-1, 0, 1, 2)'
write(6,*)characteristicShear(4)
write(6,*)'characteristic shear, for [-1, -1, 2, 6],(1, 1, -2, 1)'
write(6,*)characteristicShear(7)
write(6,*)'characteristic shear, for [1, 0, -1, -2],(1, 0, -1, 1)'
write(6,*)characteristicShear(13)
write(6,*)'characteristic shear, for [1, 1, -2, -3],(1, 1, -2, 2)'
write(6,*)characteristicShear(19)
!--------------------------------------------------------------------
!> SchmidMatrix = Outer product of direction and normal vectors.
!--------------------------------------------------------------------
do i = 1, sum(active) do i = 1, sum(active)
forall(j=1:3, k=1:3) SchmidMatrix(j,k,i) = direction_vector(j,i) * normal_vector(k,i) forall(j=1:3, k=1:3) SchmidMatrix(j,k,i) = direction_vector(j,i) * normal_vector(k,i)
enddo enddo
!--------------------------------------------------------------------
!> Correspondence Matrix = Reorientation * Shear
!--------------------------------------------------------------------
do i = 1, sum(active) do i = 1, sum(active)
corresponcenceMatrix(1:3,1:3,i) = matmul(math_axisAngleToR(normal_vector(1:3,i),pi),& corresponcenceMatrix(1:3,1:3,i) = matmul(math_axisAngleToR(normal_vector(1:3,i),pi),&
I3+characteristicShear(i)*SchmidMatrix(1:3,1:3,i)) I3+characteristicShear(i)*SchmidMatrix(1:3,1:3,i))
enddo enddo
!> Write results for Correspondence Matrix
write(6,*)'correspondence matrix for 1, 0, -1, 1, -1, 0, 1, 2 =====',corresponcenceMatrix(1:3,1:3,4) write(6,*)'correspondence matrix for [1, 0, -1, 1],(-1, 0, 1, 2)'
write(6,*)'ooooooooooooooooooooooooooooooooooooooooooooooo' write(6,*)corresponcenceMatrix(1:3,1:3,4)
write(6,*)'correspondence matrix for -1, -1, 2, 6, 1, 1, -2, 1 =====',corresponcenceMatrix(1:3,1:3,7) write(6,*)'oxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxox'
write(6,*)'ooooooooooooooooooooooooooooooooooooooooooooooo' write(6,*)'correspondence matrix for [-1, -1, 2, 6],(1, 1, -2, 1)'
write(6,*)'correspondence matrix for 1, 0, -1, -2, 1, 0, -1, 1 =====',corresponcenceMatrix(1:3,1:3,13) write(6,*)corresponcenceMatrix(1:3,1:3,7)
write(6,*)'ooooooooooooooooooooooooooooooooooooooooooooooo' write(6,*)'oxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxox'
write(6,*)'correspondence matrix for 1, 1, -2, -3, 1, 1, -2, 2 =====',corresponcenceMatrix(1:3,1:3,19) write(6,*)'correspondence matrix for [1, 0, -1, -2],(1, 0, -1, 1)'
write(6,*)corresponcenceMatrix(1:3,1:3,13)
write(6,*)'oxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxoxox'
write(6,*)'correspondence matrix for [1, 1, -2, -3],(1, 1, -2, 2)'
write(6,*)corresponcenceMatrix(1:3,1:3,19)
end program corresponcence_matrix end program corresponcence_matrix