From 7e88cabeb94f860f42c35eb455e646f4b19a27c7 Mon Sep 17 00:00:00 2001 From: smullangi3 <91685076+smullangi3@users.noreply.github.com> Date: Sun, 25 Feb 2024 17:03:32 -0500 Subject: [PATCH] Fixing Sickle Cell Model, Reintroducing Intercellular Repulsion (#21) --- common/ModRbc.F90 | 10 +- common/ModTimeInt.F90 | 43 +++---- examples/case/Input/tube.in | 2 +- .../case_diff_celltypes/Input/SickleCell.dat | 4 +- examples/case_diff_celltypes/Input/tube.in | 2 +- examples/randomized_case/Input/SickleCell.dat | 4 +- examples/randomized_case/Input/tube.in | 4 +- examples/randomized_case/initcond_random.F90 | 119 +++++++++++++----- sample_files/sample_cells/README.md | 6 +- sample_files/sample_cells/SickleCell.dat | 4 +- 10 files changed, 124 insertions(+), 74 deletions(-) diff --git a/common/ModRbc.F90 b/common/ModRbc.F90 index 656dc4c..16d8b37 100644 --- a/common/ModRbc.F90 +++ b/common/ModRbc.F90 @@ -195,11 +195,11 @@ subroutine RBC_MakeUncurvedSickleSpheroid(cell, r, xc) real(WP),optional :: xc(3) integer :: ilat, ilon, ii real(WP) :: th, phi - real(WP) :: pol, eq, curv + real(WP) :: pol, eq - pol = 1.2 * r - eq = 0.25 * r - curv = 0.2 * r + ! following the cited model, scale the spheroid radii by the major radius of an RBC + pol = 1.2 * r * 1.4 + eq = 0.25 * r * 1.4 do ilon = 1, cell%nlon do ilat = 1, cell%nlat @@ -209,8 +209,6 @@ subroutine RBC_MakeUncurvedSickleSpheroid(cell, r, xc) cell%x(ilat,ilon,2) = eq*sin(th)*sin(phi) cell%x(ilat,ilon,3) = eq*cos(th) - !curve capsule - !cell%x(ilon, ilat, 2) = cell%x(ilon, ilat, 2) - (curv * (cell%x(ilon, ilat, 3)**2)) end do ! ilat end do ! ilon if (present(xc)) then diff --git a/common/ModTimeInt.F90 b/common/ModTimeInt.F90 index 6abe2e2..8f1626f 100644 --- a/common/ModTimeInt.F90 +++ b/common/ModTimeInt.F90 @@ -331,22 +331,21 @@ subroutine TimeInt_Euler ! call LeukWallRepulsion - ! SHB commenting out the vol constraint calls - !call VolConstrainRbcs - !call InterCellRepulsion - !call FilterRbcs - - !call VolConstrainRbcs - !call InterCellRepulsion - !call FilterRbcs - - !call VolConstrainRbcs - !call InterCellRepulsion - !call FilterRbcs - - !call VolConstrainRbcs - !call InterCellRepulsion - !call FilterRbcs + call VolConstrainRbcs + call InterCellRepulsion + call FilterRbcs + + call VolConstrainRbcs + call InterCellRepulsion + call FilterRbcs + + call VolConstrainRbcs + call InterCellRepulsion + call FilterRbcs + + call VolConstrainRbcs + call InterCellRepulsion + call FilterRbcs !!$ !!$ call VolConstrainRbcs !!$ call InterCellRepulsion @@ -985,24 +984,16 @@ subroutine VolConstrainRbcs type(t_rbc),pointer :: rbc real(WP) :: xc real :: fac - real(WP) :: leukVol,platVol,rbcVol - - real(WP) :: cellVol(3) - - leukVol = 4./3.*PI*(1.4)**3 - rbcVol = 4./3.*PI*(1.0)**3 - platVol = 4./3.*PI*(4.*3./(2.*2.82)/2.)**3 ! about 3 microns - cellVol = (/ rbcVol, leukVol, platVol /) do irbc = 1, nrbc rbc => rbcs(irbc) call RBC_ComputeGeometry(rbc) - fac = (cellVol(rbc%celltype)-rbc%vol)/rbc%area + fac = (rbcRefs(rbc%celltype)%vol-rbc%vol)/rbc%area fac = SIGN(MIN(ABS(fac),epsDist/20.),fac) if (rootWorld .and. ABS(fac).gt.epsDist/40.) then - print *,"VOL: ",cellVol(rbc%celltype),rbc%vol,fac + print *,"VOL: ",rbcRefs(rbc%celltype)%vol,rbc%vol,fac end if do ilat = 1, rbc%nlat do ilon = 1, rbc%nlon diff --git a/examples/case/Input/tube.in b/examples/case/Input/tube.in index 39a429b..c760132 100644 --- a/examples/case/Input/tube.in +++ b/examples/case/Input/tube.in @@ -23,7 +23,7 @@ 'D/restart.LATEST.dat' -0.0000000001 ! epsDist +0.02 ! epsDist 10. ! forceCoef 10. ! viscRatThresh .false. ! rigidsep diff --git a/examples/case_diff_celltypes/Input/SickleCell.dat b/examples/case_diff_celltypes/Input/SickleCell.dat index 688a6b6..bb8105f 100644 --- a/examples/case_diff_celltypes/Input/SickleCell.dat +++ b/examples/case_diff_celltypes/Input/SickleCell.dat @@ -1,4 +1,4 @@ 12 24 36 72 - 3 - 5.3371837685142731 5.4489383050662994 5.5585979816951996 5.6642500392043758 5.7646122760786822 5.8587017755052662 5.9457979620009285 6.0254271285523595 6.0973349185679764 6.1614332601187263 6.2177219982559873 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7.0276676000370020E-002 5.0819176210477469E-002 3.8819073976502264E-002 3.4907394042706451E-002 3.9560070058131551E-002 5.2874753218176591E-002 7.4393291269840456E-002 0.10304028691362797 0.13721416742204587 0.17500520714471887 0.21445772318855130 0.25377548796342891 0.29140307204623206 0.32598360520235103 0.35625766013776228 0.38099370700428747 0.39901573321828715 0.40933664325513908 diff --git a/examples/case_diff_celltypes/Input/tube.in b/examples/case_diff_celltypes/Input/tube.in index dd6685d..39cef3e 100644 --- a/examples/case_diff_celltypes/Input/tube.in +++ b/examples/case_diff_celltypes/Input/tube.in @@ -23,7 +23,7 @@ 'D/restart.LATEST.dat' -0.0000000001 ! epsDist +0.012 ! epsDist 10. ! forceCoef 10. ! viscRatThresh .false. ! rigidsep diff --git a/examples/randomized_case/Input/SickleCell.dat b/examples/randomized_case/Input/SickleCell.dat index 688a6b6..bb8105f 100644 --- a/examples/randomized_case/Input/SickleCell.dat +++ b/examples/randomized_case/Input/SickleCell.dat @@ 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0.78447891332831321 0.70478128016638042 0.62330726699226102 0.54257935418483783 0.46495093384100367 0.39234125289555910 0.32603590599886273 0.26664640399349548 0.21424237639268018 0.16859306158529860 0.12942325991852463 9.6608412411489514E-002 7.0276676000370020E-002 5.0819176210477469E-002 3.8819073976502264E-002 3.4907394042706451E-002 3.9560070058131551E-002 5.2874753218176591E-002 7.4393291269840456E-002 0.10304028691362797 0.13721416742204587 0.17500520714471887 0.21445772318855130 0.25377548796342891 0.29140307204623206 0.32598360520235103 0.35625766013776228 0.38099370700428747 0.39901573321828715 0.40933664325513908 diff --git a/examples/randomized_case/Input/tube.in b/examples/randomized_case/Input/tube.in index dd6685d..a2e1285 100644 --- a/examples/randomized_case/Input/tube.in +++ b/examples/randomized_case/Input/tube.in @@ -12,7 +12,7 @@ 0.0 ! 10000 ! Nt -0.00014 ! Ts +0.00035 ! Ts 100 ! cell_out -10000 ! wall_out @@ -23,7 +23,7 @@ 'D/restart.LATEST.dat' -0.0000000001 ! epsDist +0.012 ! epsDist 10. ! forceCoef 10. ! viscRatThresh .false. ! rigidsep diff --git a/examples/randomized_case/initcond_random.F90 b/examples/randomized_case/initcond_random.F90 index 4a27fc5..f6a72d1 100644 --- a/examples/randomized_case/initcond_random.F90 +++ b/examples/randomized_case/initcond_random.F90 @@ -1,5 +1,5 @@ program randomized_cell_gen - + use ModDataTypes use ModDataStruct use ModRbc @@ -30,8 +30,8 @@ program randomized_cell_gen !calculate number of cells for the defined hematocrit, assuming all blood cells are healthy RBCs for volume !hematocrit = 4 * nrbc / (tube_radius^2 * tube_length) - nrbcMax = ((3 * (tubelen * tuber**2 * hematocrit)) / 4) - 1 - + nrbcMax = ((3*(tubelen*tuber**2*hematocrit))/4) + !set periodic boundary box based on tube shape Lb(1) = tuber * 2 + 0.5 Lb(2) = tuber * 2 + 0.5 @@ -93,10 +93,10 @@ program randomized_cell_gen fn = 'D/restart.LATEST.dat' call WriteRestart(fn, Nt0, time) - deallocate(rbcs) - deallocate(walls) + deallocate (rbcs) + deallocate (walls) call FinalizeMPI -stop + stop contains @@ -246,45 +246,104 @@ subroutine rotate_cell(cell) end subroutine rotate_cell -!helper for place_cell, checks if cell1 and cell2 intersect/collide -logical function check_cell_collision(cell1, cell2) - type(t_Rbc) :: cell1, cell2 +!helper for place_cell, checks if cell1 intersects/collides with wall + logical function check_wall_collision(cell) + type(t_Rbc) :: cell integer :: i, j, i2, j2 real(WP) :: c1p(3), c2p(3), sp(3) + check_wall_collision = .false. + + !each point in cell1 + do i = 1, cell%nlat + do j = 1, cell%nlon + + !define 2 diagonal points c1p & c2p for collision detection + c1p = cell%x(i, j, :) + c2p = cell%x(modulo(i, cell%nlat) + 1, modulo(j, cell%nlon) + 1, :) + + !each wall + do i2 = 1, nwall + !each point in the wall + do j2 = 1, walls(i2)%nvert + + sp = walls(i2)%x(j2, :) + + !check if the cell2 point lies inside the cube delineated by c1p & c2p + if ( & + ((c1p(1) .le. sp(1) .and. sp(1) .le. c2p(1)) .or. (c2p(1) .le. sp(1) .and. sp(1) .le. c1p(1))) .and. & !x direction overlap + ((c1p(2) .le. sp(2) .and. sp(2) .le. c2p(2)) .or. (c2p(2) .le. sp(2) .and. sp(2) .le. c1p(2))) .and. & !y direction overlap + ((c1p(3) .le. sp(3) .and. sp(3) .le. c2p(3)) .or. (c2p(3) .le. sp(3) .and. sp(3) .le. c1p(3))) & !z direction overlap + ) then + ! since we found a collision, return true + check_wall_collision = .true. + return + end if + + end do !j2 + end do !i2 + + end do !j + end do !i + end function check_wall_collision + +! helper for place_cell, checks if cell1 and cell2 intersect/collide +! creates miniature bounding boxes along cell meshes to do AABB-AABB collision detection +! should not have any false-negatives (return false even if the cells are intersecting) +! may have false-positives (might return true if cells aren't intersecting, but are very close) + logical function check_cell_collision(cell1, cell2) + type(t_Rbc) :: cell1, cell2 + + integer :: i, j, i2, j2, ii + + real(WP) :: p1(3), p2(3) + real(WP) :: b1(3, 2), b2(3, 2) + check_cell_collision = .false. !each point in cell1 - do i = 1, cell1%nlat-1 - do j = 1, cell1%nlon-1 + do i = 1, cell1%nlat + do j = 1, cell1%nlon - !define 2 diagonal points c1p & c2p for collision detection - c1p = cell1%x(i, j, : ) - c2p = cell1%x(i + 1, j + 1, : ) + ! create first AABB from patch of cell1 + p1 = cell1%x(i, j, :) + p2 = cell1%x(modulo(i, cell1%nlat) + 1, modulo(j, cell1%nlon) + 1, :) - !each point in cell2 - do i2 = 1, cell2%nlat - do j2 = 1, cell2%nlon + do ii = 1, 3 + b1(ii, 1) = min(p1(ii), p2(ii)) + b1(ii, 2) = max(p1(ii), p2(ii)) + end do - sp = cell2%x(i2, j2, : ) + !each point in cell2 + do i2 = 1, cell2%nlat + do j2 = 1, cell2%nlon - !check if the cell2 point lies inside the cube delineated by c1p & c2p + !create second AABB from patch of cell2 + p1 = cell2%x(i2, j2, :) + p2 = cell2%x(modulo(i2, cell2%nlat) + 1, modulo(j2, cell2%nlon) + 1, :) + do ii = 1, 3 + b2(ii, 1) = min(p1(ii), p2(ii)) + b2(ii, 2) = max(p1(ii), p2(ii)) + end do + + !check for AABB collision, we find AABB intersection iff X, Y, and Z intervals all overlap if ( & - ((c1p(1).le.sp(1) .and. sp(1).le.c2p(1)) .or. (c2p(1).le.sp(1) .and. sp(1).le.c1p(1))) .and. & !x direction overlap - ((c1p(2).le.sp(2) .and. sp(2).le.c2p(2)) .or. (c2p(2).le.sp(2) .and. sp(2).le.c1p(2))) .and. & !y direction overlap - ((c1p(3).le.sp(3) .and. sp(3).le.c2p(3)) .or. (c2p(3).le.sp(3) .and. sp(3).le.c1p(3))) & !z direction overlap - ) then - ! since we found a collision, return true - check_cell_collision = .true. - return + b1(1, 1) .le. b2(1, 2) & + .and. b1(1, 2) .ge. b2(1, 1) & + .and. b1(2, 1) .le. b2(2, 2) & + .and. b1(2, 2) .ge. b2(2, 1) & + .and. b1(3, 1) .le. b2(3, 2) & + .and. b1(3, 2) .ge. b2(3, 1) & + ) then + check_cell_collision = .true. + return end if - end do !j2 - end do !i2 + end do !j2 + end do !i2 end do !j end do !i -end function check_cell_collision - + end function check_cell_collision end program randomized_cell_gen diff --git a/sample_files/sample_cells/README.md b/sample_files/sample_cells/README.md index c4874ce..f5ed3bc 100644 --- a/sample_files/sample_cells/README.md +++ b/sample_files/sample_cells/README.md @@ -7,12 +7,14 @@ Examples for this usage can be found in `\examples\case_diff_celltypes\` code. ## `SickleCell.dat` This sample file is a simplified mesh of a Sickle Cell. The cell is described as a deformed prolate spheroid. -The mesh's number of latitudinal modes, `nlat0`, is 12. +The mesh's number of latitudinal modes, `nlat0`, is 12, and has a dealiasing factor of 3. ### Generating `SickleCell.dat` The Sickle Cell is generated by inducing a prolate spheroid under a flow in the RBC3D simulation for a prolonged period of time. The prolate spheroid cell is generated by the `ModRBC::RBC_MakeUncurvedSickleSpheroid` method. -Then, the cell undergoes flow within a no-slip cylindrical wall for 5000 timesteps with stepsize of 0.00014. +Specifics of the model are taken from ["Dynamics of deformable straight and curved prolate capsules in simple shear flow"](https://doi.org/10.1103%2FPhysRevFluids.4.043103). + +Then, the cell undergoes flow within a no-slip cylindrical wall for 2000 timesteps with stepsize of 0.00028. The resulting mesh is exported as `SickleCell.dat` ## Why Import Cell Meshes? diff --git a/sample_files/sample_cells/SickleCell.dat b/sample_files/sample_cells/SickleCell.dat index 688a6b6..bb8105f 100644 --- a/sample_files/sample_cells/SickleCell.dat +++ b/sample_files/sample_cells/SickleCell.dat @@ -1,4 +1,4 @@ 12 24 36 72 - 3 - 5.3371837685142731 5.4489383050662994 5.5585979816951996 5.6642500392043758 5.7646122760786822 5.8587017755052662 5.9457979620009285 6.0254271285523595 6.0973349185679764 6.1614332601187263 6.2177219982559873 6.2662037749034303 6.3068222713647790 6.3394479622984026 6.3639131453939575 6.3800730633683438 6.3878592523354838 6.3873018879899526 6.3785215675715694 6.3617102292820107 6.3371224446056180 6.3050828275343136 6.2659964189388750 6.2203421172978546 6.1686397830228135 6.1114009079078446 6.0490855918216591 5.9820855262757897 5.9107369644303001 5.8353517941160353 5.7562501412545215 5.6737857445152198 5.5883672017456627 5.5004853641454847 5.4107693989016656 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