Enhancements for Euler-Lagrange bubble/particle model

src/common/m_boundary_common.fpp

@@ -1942,6 +1942,21 @@ contains
         offset_x%beg = buff_size; offset_x%end = buff_size
         offset_y%beg = buff_size; offset_y%end = buff_size
         offset_z%beg = buff_size; offset_z%end = buff_size
+
+#ifdef MFC_MPI
+        ! Populate global domain boundaries with stretched grids
+        call s_mpi_allreduce_min(x_cb(-1), glb_bounds(1)%beg)
+        call s_mpi_allreduce_max(x_cb(m), glb_bounds(1)%end)
+
+        if (n > 0) then
+            call s_mpi_allreduce_min(y_cb(-1), glb_bounds(2)%beg)
+            call s_mpi_allreduce_max(y_cb(n), glb_bounds(2)%end)
+            if (p > 0) then
+                call s_mpi_allreduce_min(z_cb(-1), glb_bounds(3)%beg)
+                call s_mpi_allreduce_max(z_cb(p), glb_bounds(3)%end)
+            end if
+        end if
+#endif
 #endif
 
 #ifndef MFC_PRE_PROCESS

src/common/m_constants.fpp

@@ -13,6 +13,7 @@ module m_constants
     real(wp), parameter :: small_alf = 1.e-11_wp                !< Small alf tolerance
     real(wp), parameter :: pi = 3.141592653589793_wp !< Pi
     real(wp), parameter :: verysmall = 1.e-12_wp              !< Very small number
+    real(wp), parameter :: Re_b_min = 1.e-6_wp                !< minimum bubble reynolds number for drag coeff calc.
 
     integer, parameter :: num_stcls_min = 5                       !< Minimum # of stencils
     integer, parameter :: path_len = 400                          !< Maximum path length
@@ -21,7 +22,7 @@ module m_constants
     integer, parameter :: fourier_rings = 5                       !< Fourier filter ring limit
     integer, parameter :: num_fluids_max = 10                     !< Maximum number of fluids in the simulation
     integer, parameter :: num_probes_max = 10                     !< Maximum number of flow probes in the simulation
-    integer, parameter :: num_patches_max = 10
+    integer, parameter :: num_patches_max = 20
     integer, parameter :: num_bc_patches_max = 10
     integer, parameter :: pathlen_max = 400
     integer, parameter :: nnode = 4    !< Number of QBMM nodes
@@ -59,8 +60,9 @@ module m_constants
     real(wp), parameter :: initial_distance_buffer = 1.e12_wp !< Initialized levelset distance for the shortest path pair algorithm
 
     ! Lagrange bubbles constants
-    integer, parameter :: mapCells = 3         !< Number of cells around the bubble where the smoothening function will have effect
-    real(wp), parameter :: R_uni = 8314._wp    !< Universal gas constant - J/kmol/K
+    integer, parameter :: mapCells = 3 !< Number of cells around the bubble where the smoothening function will have effect
+    real(wp), parameter :: R_uni = 8314._wp ! Universal gas constant - J/kmol/K
+    integer, parameter :: lag_io_vars = 21 ! Number of variables per particle for MPI_IO
 
     ! Strang Splitting constants
     real(wp), parameter :: dflt_adap_dt_tol = 1.e-4_wp !< Default tolerance for adaptive step size

src/common/m_derived_types.fpp

@@ -432,6 +432,12 @@ module m_derived_types
         logical :: write_bubbles            !< Write files to track the bubble evolution each time step
         logical :: write_bubbles_stats      !< Write the maximum and minimum radius of each bubble
         integer :: nBubs_glb                !< Global number of bubbles
+        integer :: vel_model                !< Particle velocity model
+        integer :: drag_model               !< Particle drag model
+        logical :: pressure_force           !< Include pressure force translational motion
+        logical :: gravity_force            !< Include gravity force in translational motion
+        logical :: momentum_transfer_force  !< Include momentum transfer from radial dynamics in translational motion
+        real(wp) :: c_d                     !< Drag coefficient
         real(wp) :: epsilonb         !< Standard deviation scaling for the gaussian function
         real(wp) :: charwidth        !< Domain virtual depth (z direction, for 2D simulations)
         real(wp) :: valmaxvoid       !< Maximum void fraction permitted

src/common/m_helper_basic.fpp

@@ -112,10 +112,11 @@ contains
 
     pure subroutine s_configure_coordinate_bounds(recon_type, weno_polyn, muscl_polyn, &
                                                   igr_order, buff_size, idwint, idwbuff, &
-                                                  viscous, bubbles_lagrange, m, n, p, num_dims, igr, ib)
+                                                  viscous, bubbles_lagrange, m, n, p, num_dims, &
+                                                  igr, ib, fd_number)
 
         integer, intent(in) :: recon_type, weno_polyn, muscl_polyn
-        integer, intent(in) :: m, n, p, num_dims, igr_order
+        integer, intent(in) :: m, n, p, num_dims, igr_order, fd_number
         integer, intent(inout) :: buff_size
         type(int_bounds_info), dimension(3), intent(inout) :: idwint, idwbuff
         logical, intent(in) :: viscous, bubbles_lagrange
@@ -140,7 +141,7 @@ contains
 
         ! Correction for smearing function in the lagrangian subgrid bubble model
         if (bubbles_lagrange) then
-            buff_size = max(buff_size, 6)
+            buff_size = max(buff_size + fd_number, 6 + fd_number)
         end if
 
         if (ib) then

src/common/m_mpi_common.fpp

@@ -417,17 +417,21 @@ contains
     impure subroutine s_mpi_reduce_stability_criteria_extrema(icfl_max_loc, &
                                                               vcfl_max_loc, &
                                                               Rc_min_loc, &
+                                                              ccfl_max_loc, &
                                                               icfl_max_glb, &
                                                               vcfl_max_glb, &
-                                                              Rc_min_glb)
+                                                              Rc_min_glb, &
+                                                              ccfl_max_glb)
 
         real(wp), intent(in) :: icfl_max_loc
         real(wp), intent(in) :: vcfl_max_loc
         real(wp), intent(in) :: Rc_min_loc
+        real(wp), intent(in) :: ccfl_max_loc
 
         real(wp), intent(out) :: icfl_max_glb
         real(wp), intent(out) :: vcfl_max_glb
         real(wp), intent(out) :: Rc_min_glb
+        real(wp), intent(out) :: ccfl_max_glb
 
 #ifdef MFC_SIMULATION
 #ifdef MFC_MPI
@@ -448,6 +452,12 @@ contains
                             MPI_COMM_WORLD, ierr)
         end if
 
+        if (surface_tension) then
+            call MPI_REDUCE(ccfl_max_loc, ccfl_max_glb, 1, &
+                            mpi_p, MPI_MAX, 0, &
+                            MPI_COMM_WORLD, ierr)
+        end if
+
 #else
 
         icfl_max_glb = icfl_max_loc
@@ -457,11 +467,35 @@ contains
             Rc_min_glb = Rc_min_loc
         end if
 
+        if (surface_tension) ccfl_max_glb = ccfl_max_loc
+
 #endif
 #endif
 
     end subroutine s_mpi_reduce_stability_criteria_extrema
 
+    !>  The following subroutine takes the inputted variable and
+        !!     determines its sum on the entire computational domain.
+        !!  @param var_loc holds the local value to be reduced among
+        !!      all the processors in communicator. On output, the variable holds
+        !!      the sum, reduced amongst all of the local values.
+    subroutine s_mpi_reduce_int_sum(var_loc, sum)
+
+        integer, intent(inout) :: var_loc
+        integer, intent(inout) :: sum
+
+#ifdef MFC_MPI
+        integer :: ierr !< Generic flag used to identify and report MPI errors
+
+        ! Performing reduction procedure and eventually storing its result
+        ! into the variable that was initially inputted into the subroutine
+        call MPI_REDUCE(var_loc, sum, 1, MPI_INTEGER, &
+                        MPI_SUM, 0, MPI_COMM_WORLD, ierr)
+
+#endif
+
+    end subroutine s_mpi_reduce_int_sum
+
     !>  The following subroutine takes the input local variable
         !!      from all processors and reduces to the sum of all
         !!      values. The reduced variable is recorded back onto the
@@ -1137,9 +1171,17 @@ contains
         integer :: recon_order !<
             !! WENO or MUSCL reconstruction order
 
-        integer :: i, j !< Generic loop iterators
+        integer :: i, j, k !< Generic loop iterators
         integer :: ierr !< Generic flag used to identify and report MPI errors
 
+        ! temp array to store neighbor rank coordinates
+        integer, dimension(1:num_dims) :: neighbor_coords
+
+        ! Zeroing out communication needs for moving EL bubbles/particles
+        nidx(1)%beg = 0; nidx(1)%end = 0
+        nidx(2)%beg = 0; nidx(2)%end = 0
+        nidx(3)%beg = 0; nidx(3)%end = 0
+
         if (recon_type == WENO_TYPE) then
             recon_order = weno_order
         else
@@ -1316,6 +1358,7 @@ contains
                     call MPI_CART_RANK(MPI_COMM_CART, proc_coords, &
                                        bc_z%beg, ierr)
                     proc_coords(3) = proc_coords(3) + 1
+                    nidx(3)%beg = -1
                 end if
 
                 ! Boundary condition at the end
@@ -1324,6 +1367,7 @@ contains
                     call MPI_CART_RANK(MPI_COMM_CART, proc_coords, &
                                        bc_z%end, ierr)
                     proc_coords(3) = proc_coords(3) - 1
+                    nidx(3)%end = 1
                 end if
 
 #ifdef MFC_POST_PROCESS
@@ -1455,6 +1499,7 @@ contains
                 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, &
                                    bc_y%beg, ierr)
                 proc_coords(2) = proc_coords(2) + 1
+                nidx(2)%beg = -1
             end if
 
             ! Boundary condition at the end
@@ -1463,6 +1508,7 @@ contains
                 call MPI_CART_RANK(MPI_COMM_CART, proc_coords, &
                                    bc_y%end, ierr)
                 proc_coords(2) = proc_coords(2) - 1
+                nidx(2)%end = 1
             end if
 
 #ifdef MFC_POST_PROCESS
@@ -1548,13 +1594,15 @@ contains
             proc_coords(1) = proc_coords(1) - 1
             call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_x%beg, ierr)
             proc_coords(1) = proc_coords(1) + 1
+            nidx(1)%beg = -1
         end if
 
         ! Boundary condition at the end
         if (proc_coords(1) < num_procs_x - 1 .or. (bc_x%end == BC_PERIODIC .and. num_procs_x > 1)) then
             proc_coords(1) = proc_coords(1) + 1
             call MPI_CART_RANK(MPI_COMM_CART, proc_coords, bc_x%end, ierr)
             proc_coords(1) = proc_coords(1) - 1
+            nidx(1)%end = 1
         end if
 
 #ifdef MFC_POST_PROCESS
@@ -1600,6 +1648,24 @@ contains
             end if
 #endif
         end if
+
+        @:ALLOCATE(neighbor_ranks(nidx(1)%beg:nidx(1)%end, &
+            nidx(2)%beg:nidx(2)%end, &
+            nidx(3)%beg:nidx(3)%end))
+
+        do k = nidx(3)%beg, nidx(3)%end
+            do j = nidx(2)%beg, nidx(2)%end
+                do i = nidx(1)%beg, nidx(1)%end
+                    if (abs(i) + abs(j) + abs(k) > 0) then
+                        neighbor_coords(1) = proc_coords(1) + i
+                        if (num_dims > 1) neighbor_coords(2) = proc_coords(2) + j
+                        if (num_dims > 2) neighbor_coords(3) = proc_coords(3) + k
+                        call MPI_CART_RANK(MPI_COMM_CART, neighbor_coords, &
+                                           neighbor_ranks(i, j, k), ierr)
+                    end if
+                end do
+            end do
+        end do
 #endif
 
     end subroutine s_mpi_decompose_computational_domain