238 lines
9.2 KiB
Fortran
238 lines
9.2 KiB
Fortran
program voronoi
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use prec, only: pReal, pInt
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implicit none
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logical, dimension(:), allocatable :: seedmap
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character(len=1024) name, format, format2, N_Digits
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character choice
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integer(pInt) a, b, c, ab, abc, abc_Red, N_Seeds, seedPoint, minDistance, myDistance, i, j, k, l, m
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integer(pInt), dimension(:), allocatable :: seeds, grainMap, visual_Case
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integer(pInt) coordinates(3)
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real(pReal), dimension(:), allocatable :: grainEuler
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real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
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real(pReal) randomSeed
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print*, '******************************************************************************'
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print*, ' Spectral Method Problem Set-up'
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print*, '******************************************************************************'
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print*, ''
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print*, 'generates:'
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print*, ' * geom file "_GIVEN_NAME_.geom": Geometrical information for solver'
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print*, ' * material file "material.config": Orientation information for solver'
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print*, ' * "_GIVEN_NAME_.spectral": combined information for solver'
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print*, 'optional output:'
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print*, ' * view file "_GIVEN_NAME_2D.msh": Information for visualization in gmsh'
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print*, ' * view file "_GIVEN_NAME_3D.msh": Information for visualization in gmsh'
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print*, ''
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print*, 'hints:'
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print*, ' * a+b+c should not exeed 30'
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print*, ' * file extension is added to given name'
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print*, ''
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write(*, '(A)', advance = 'NO') 'Please enter value for a: '
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read(*, *), a
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write(*, '(A)', advance = 'NO') 'Please enter value for b: '
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read(*, *), b
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write(*, '(A)', advance = 'NO') 'Please enter value for c: '
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read(*, *), c
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write(*, '(A)', advance = 'NO') 'Please enter No. of Grains: '
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read(*, *), N_Seeds
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write(*, '(A)', advance = 'NO') 'Please enter name of geometry file: '
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read(*, *), name
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write(*, '(A)', advance = 'NO') 'Should the visualization files be generated (y/n)? '
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read(*, *), choice
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! calculate No. of digits needed for name of the grains
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i = 1 + int( log10(real( N_Seeds )))
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write(N_Digits, *) i
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N_Digits = adjustl( N_Digits )
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allocate(grainEuler(3*N_Seeds))
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!write material.config header and add a microstructure entry for every grain
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open(20, file = trim(name)//('_material.config'))
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write(20, '(A)'), '<microstructure>'
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format = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
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format2 = '(A, I'//trim(N_Digits)//', A)'
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do i = 1, N_Seeds
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write(20, trim(format)), '[Grain', i, ']'
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write(20, '(A)'), 'crystallite 1'
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write(20, trim(format2)), '(constituent) phase 1 texture ', i, ' fraction 1.0'
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end do
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! get random euler angles for every grain, store them in grainEuler and write them to the material.config file
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format2 = '(A, F10.6, A, F10.6, A, F10.6, A)'
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write(20, '(/, A)'), '<texture>'
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do i = 1, N_Seeds
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call random_number(grainEuler(i*3 -2))
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call random_number(grainEuler(i*3 -1))
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call random_number(grainEuler(i*3 -0))
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grainEuler(i*3 -2) = (grainEuler(i*3 -2))*360
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grainEuler(i*3 -1) = acos(2.0_pReal*(grainEuler(i*3 -1))-1.0_pReal)*180/pi
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grainEuler(i*3 -0) = grainEuler(i*3)*360
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write(20, trim(format)), '[Grain', i, ']'
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write(20, trim(format2)), '(gauss) phi1 ', grainEuler(i*3-2), ' Phi ', grainEuler(i*3-1), &
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&' Phi2 ', grainEuler(i*3), ' scatter 0 fraction 1'
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end do
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close(20)
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print*, ''
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print*, 'material config file is written out'
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!write header of geom file, should be done before the following change of variables
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open(20, file = ((trim(name))//'.geom'))
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write(20, '(A, I2, A, I2, A, I2)'), 'resolution a ', 2**a, ' b ', 2**b, ' c ', 2**c
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write(20, '(A, I4, A, I4, A, I4)'), 'dimension x ', 2**a, ' y ', 2**b, ' z ', 2**c
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write(20, '(A)'), 'homogenization 1'
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!initialize varibles, change values of some numbers for faster execution
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a = 2**a
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b = 2**b
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c = 2**c
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ab = a * b
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abc = a * b * c
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abc_Red = abc -(a-1)*(b-1)*(c-1)
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format = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'
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allocate (seedmap(abc)); seedmap = .false.
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allocate (seeds(3*N_Seeds))
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allocate (grainMap(abc))
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allocate (visual_Case(abc_Red))
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k = 1
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!build array with x-y-z-coordinates of each point
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do i = 1, abc
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coordinates(1) = mod((i-1), a) +1
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coordinates(2) = mod(((i-1)/a), b) +1
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coordinates(3) = mod(((i-1)/(ab)), c) +1
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if((coordinates(3) == 1)) then
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visual_Case(k) = i
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k = k +1
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else
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if((coordinates(2) == 1)) then
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visual_Case(k) = i
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k = k +1
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else
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if((coordinates(1) == 1)) then
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visual_Case(k) = i
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k = k +1
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else
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end if
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end if
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end if
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end do
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!generate random position of seeds for voronoi tessellation
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i = 0
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do while (i /= N_Seeds)
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call random_number(randomSeed)
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seedpoint = int(randomSeed*(abc))
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if (.not.seedmap(seedpoint+1)) then
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seedmap(seedpoint+1) = .true.
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seeds(i*3+1) = (mod((seedpoint), a)+1)
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seeds(i*3+2) = (mod(((seedpoint)/a), b)+1)
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seeds(i*3+3) = (mod(((seedpoint)/(ab)), c)+1)
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i = i +1
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else
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end if
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end do
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! perform voronoi tessellation and write result to file and to grainMap
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do i = 1, abc
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minDistance = a*a+b*b+c*c
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do j = 1, N_Seeds
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do k = -1, 1
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do l = -1, 1
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do m = -1, 1
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myDistance = ((mod((i-1), a) +1-seeds(j*3-2)+m*a)**2+&
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(mod(((i-1)/a), b) +1-seeds(j*3-1)+l*b)**2+&
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(mod(((i-1)/(ab)), c) +1-seeds(j*3-0)+k*c)**2)
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if (myDistance < minDistance) then
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minDistance = myDistance
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grainMap(i) = j
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end if
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end do
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end do
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end do
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end do
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write(20, format), grainMap(i)
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end do
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close(20)
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print*, 'voronoi tesselation finished'
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open(20, file = ((trim(name))//'.spectral'))
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format = '(tr2, f6.2, tr2, f6.2, tr2, f6.2, I10, I10, I10, I10, a)'
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do i = 1, abc
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j = grainMap(i)
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write(20, trim(format)), grainEuler(j*3-2), grainEuler(j*3-1), grainEuler(j*3), &
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&mod((i-1), a)+1, mod(((i-1)/a), b)+1, mod(((i-1)/(ab)), c)+1, &
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&j, ' 1'
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end do
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print*, 'geometry files are written out'
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!write visualization files (in case wanted)
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if (choice == 'y' .or. choice == 'Y') then
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print*, 'for more information on gmsh: http://geuz.org/gmsh/'
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! write full geometry out
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open(20, file = ((trim(name))//'_3Dfull.msh'))
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write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', abc
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do i = 1, abc
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write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
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end do
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write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', abc
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do i = 1, abc
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write(20, '(I10, A, I10, A, I10)'), i, ' 15 2', grainMap(i), ' 2', i
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end do
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write(20, '(A)'), '$EndElements'
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write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', '1', &
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&'0.0', '3', '0', '1', abc
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do i = 1, abc
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write(20, '(I10, tr2, I10)'), i, grainMap(i)
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end do
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write(20, *), '$EndNodeData'
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close(20)
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! write 3d skin out
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open(20, file = ((trim(name))//'_3D.msh'))
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write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', abc_Red
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do j = 1, abc_Red
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i = visual_Case(j)
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write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
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end do
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write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', abc_Red
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do j = 1, abc_Red
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i = visual_case(j)
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write(20, '(I10, A, I10, A, I10)'), i, ' 15 2', grainMap(i), ' 2', i
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end do
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write(20, '(A)'), '$EndElements'
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write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', '1', &
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&'0.0', '3', '0', '1', abc_Red
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do j = 1, abc_Red
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i = visual_case(j)
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write(20, '(I10, tr2, I10)'), i, grainMap(i)
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end do
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write(20, *), '$EndNodeData'
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close(20)
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! write 2d geometry out
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open(20, file = ((trim(name))//'_2D.msh'))
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write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', ab
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do i = 1, ab
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write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
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end do
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write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', ab
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do j = 1, ab
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write(20, '(I10, A, I10, A, I10)'), j, ' 15 2', grainMap(j), ' 2', j
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end do
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write(20, '(A)'), '$EndElements'
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write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', &
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&'1', '0.0', '3', '0', '1', ab
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do j = 1, ab
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write(20, '(I10, tr2, I10)'), j, grainMap(j)
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end do
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write(20, *), '$EndNodeData'
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close(20)
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print*, 'visualization files are written out'
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else
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end if
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end program voronoi
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