diff --git a/docs/documentation/case.md b/docs/documentation/case.md index 259b0bed47..6a7175fc3f 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -363,8 +363,11 @@ This is enabled by adding ``'elliptic_smoothing': "T",`` and ``'elliptic_smoothi | `airfoil_id` | Integer | Index into `ib_airfoil` array for NACA airfoil geometry patches. | | `model_id` | Integer | Index into `stl_models` array for STL/OBJ geometry patches. | | `slip` | Logical | Apply a slip boundary | -| `thermal_bc` | Integer | Thermal boundary-condition selector: 0 = zero-normal-gradient temperature, 1 = prescribed wall temperature, 2 = reacting surface energy balance. | -| `Twall` | Real | Prescribed wall temperature used when `thermal_bc = 1`. | +| `thermal_bc` | Integer | Thermal boundary-condition selector: 0 = zero-normal-gradient temperature, 1 = prescribed wall temperature, 2 = reacting surface energy balance, 3 = lumped solid whose temperature evolves. | +| `Twall` | Real | Wall temperature: prescribed (`thermal_bc = 1`) or initial (`thermal_bc = 3`). | +| `rho_solid`, `cp_solid` | Real | Solid density [kg/m³] and heat capacity [J/kg/K] (`thermal_bc = 3`). | +| `emissivity`, `T_rad` | Real | Surface emissivity and radiative surroundings temperature [K] (`thermal_bc = 3`; default 0, no radiation). | +| `heat_power` | Real | Heat supplied to the body [W; W/m per unit depth in 2D], e.g. Joule heating (`thermal_bc = 3`). | | `surface_reaction` | Integer | Heterogeneous surface-reaction flag: 0 = disabled, 1 = enabled. | | `moving_ibm` | Integer | Sets the method used for IB movement. | | `vel(i)` | Real | Initial velocity of the moving IB in the i-th direction. | @@ -416,7 +419,7 @@ Additional details on this specification can be found in [NACA airfoil](https:// - `slip` applies a slip boundary to the surface of the patch if true and a no-slip boundary condition to the surface if false. -- `thermal_bc` selects the thermal immersed-boundary condition. A value of 0 applies a zero-normal-gradient temperature condition, 1 prescribes the wall temperature using `Twall`, and 2 solves the reacting-surface energy balance for the surface temperature. The `thermal_bc = 2` option requires `surface_reaction = 1`. A non-zero `thermal_bc` requires `chemistry = T` and cannot be combined with `inj_species > 0`, since the thermal condition is applied by the chemistry ghost-state reconstruction, which an injecting surface bypasses. +- `thermal_bc` selects the thermal immersed-boundary condition. A value of 0 applies a zero-normal-gradient temperature condition, 1 prescribes the wall temperature using `Twall`, 2 solves the reacting-surface energy balance for the surface temperature, and 3 treats the body as one lumped solid whose temperature, starting at `Twall`, evolves as m c_s dT/dt = Q_in + c_s (T − 298.15 K) Ṁ_out + `heat_power` − ε σ A (T⁴ − `T_rad`⁴). Q_in and Ṁ_out are the energy into and mass out of the body summed over every face between its cells and fluid cells, from the same total fluxes the flow update applies, weighted by the Runge–Kutta stages; over a step the body gains exactly the energy the fluid loses, reaction heat and the enthalpy of the gasified carbon included. m = `rho_solid`·V, with V from the geometry (circle per unit depth, sphere, or cylinder), and A is the surface area from the `ib_surface_wrt` surface points. One temperature per body is valid while the Biot number h·R/k_solid is small (graphite particles and mm rods). The temperature is clamped to the thermodynamic window [200, 5000] K and is carried across restarts in `restart_data/ib_state`. The `thermal_bc = 2` option requires `surface_reaction = 1`. A non-zero `thermal_bc` requires `chemistry = T` and cannot be combined with `inj_species > 0`, since the thermal condition is applied by the chemistry ghost-state reconstruction, which an injecting surface bypasses. - `Twall` specifies the prescribed surface temperature when `thermal_bc = 1` and must be positive in that case. @@ -773,6 +776,7 @@ To restart the simulation from $k$-th time step, see @ref running "Restarting Ca | `heat_ratio_wrt` | Logical | Add the specific heat ratio to the database | | `ib_force_wrt` | Logical | Record the immersed-boundary force history to `D/ib_forces.dat` (default off) | | `ib_force_stride` | Integer | Stride, in time steps, of the per-step immersed-boundary force record (default 1) | +| `ib_surface_wrt` | Logical | Write the wall temperature and gasified mass flux at each thermal/reacting IB surface point at every save (default off) | | `ib_state_wrt` | Logical | Parameter to handle writing IB state on saves and outputting the state as a point mesh to SILO files. | | `pi_inf_wrt` | Logical | Add the liquid stiffness function to the database | | `pres_inf_wrt` | Logical | Add the liquid stiffness to the formatted database | @@ -844,6 +848,8 @@ If `file_per_process` is true, then pre_process, simulation, and post_process mu - `ib_force_wrt` records the force, torque and kinematics of every immersed boundary in a single shared text file, `D/ib_forces.dat`, described below. It is off by default: the history is written every step, which at large rank counts is a cost a run should opt into rather than inherit. `ib_force_stride` writes only every N-th step, for runs long enough that the history itself becomes large. +- `ib_surface_wrt` writes, at every save, one text file per rank, `D/ib_surface__.dat`, with a line per surface point of each chemistry IB (`thermal_bc` /= 0 or `surface_reaction` = 1) and no header, columns `x y z ib nx ny nz area T_wall mdot`. `ib` is the global IB index, `(nx, ny, nz)` the level-set normal, `T_wall` the surface temperature [K] and `mdot` the gasified mass flux [kg/m²/s] from the surface solve (0 on an inert surface). `area` [m², or m per unit depth in 2D] is the surface each point stands for: summing `area`·`mdot` over an IB's lines gives its mass loss rate [kg/s], and `mdot`/ρ_solid is the local surface regression rate. The points are the ghost points within two cell sizes h = (cell volume)^(1/d) of the surface, each weighted by cell volume/(2h); for circles, spheres and cylinder sides the weight is also scaled by (R/(R − depth))^(d−1), the area ratio between the surface and the layer the point sits in. The areas then sum to the surface area without bias (a sphere at R = 12h: within 0.3%; a circle at R = 20h: within about 1%); other shapes keep the uncorrected band, which underestimates a convex surface by about (d−1)·h/R. + #### Immersed-boundary force history {#sec-ib-force-history} `D/ib_forces.dat` holds one fixed-width record per body per written step. Its twenty columns are diff --git a/examples/2D_ibm_poiseuille_nn/compare_analytic.py b/examples/2D_ibm_poiseuille_nn/compare_analytic.py index 66d920d2d3..98423f18fc 100644 --- a/examples/2D_ibm_poiseuille_nn/compare_analytic.py +++ b/examples/2D_ibm_poiseuille_nn/compare_analytic.py @@ -95,7 +95,7 @@ def main(): t_last = int(os.path.basename(dats[-1]).split("_")[1].split(".")[0]) ib_state = os.path.join(RESTART_DIR, f"ib_state_{t_last}.dat") if os.path.exists(ib_state): - rec = np.fromfile(ib_state, dtype=np.float64).reshape(2, 20) + rec = np.fromfile(ib_state, dtype=np.float64).reshape(2, -1) f_ana = RHO * G_X * 0.5 * (Y_HI - Y_LO) * L_X # tau_w*L_x, nominal H print(f"IBM x-force per wall: {rec[0, 1]:.4e} (bottom), {rec[1, 1]:.4e} (top); " f"analytic tau_w*L_x = {f_ana:.4e}") print(f" force ratios vs analytic: {rec[0, 1] / f_ana:.3f}, {rec[1, 1] / f_ana:.3f}") diff --git a/src/common/m_constants.fpp b/src/common/m_constants.fpp index 83507ac387..7d8f5bc302 100644 --- a/src/common/m_constants.fpp +++ b/src/common/m_constants.fpp @@ -21,6 +21,10 @@ module m_constants !! wall temperature outside it. real(wp), parameter :: T_surface_min = 200._wp real(wp), parameter :: T_surface_max = 5000._wp + + !> Reals per IB in restart_data/ib_state: time, force(3), torque(3), vel(3), angular_vel(3), angles(3), centroid(3), radius, + !! Twall. Twall carries a thermal_bc = 3 body's evolving temperature across a restart. + integer, parameter :: ib_state_nfields = 21 !> Radius cutoff to avoid division by zero for 3D spherical harmonic patch (geometry 14) real(wp), parameter :: small_radius = 1.e-32_wp integer, parameter :: num_stcls_min = 5 !< Minimum # of stencils diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 1232e3f5ae..5bb6fbeeb6 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -364,8 +364,12 @@ module m_derived_types ! 0 = zero-normal-gradient temperature ! 1 = prescribed wall temperature (Twall) ! 2 = reacting surface energy balance + ! 3 = lumped solid: Twall evolves with the body's heat balance integer :: thermal_bc real(wp) :: Twall + real(wp) :: rho_solid, cp_solid !< Solid density [kg/m^3] and heat capacity [J/kg/K] (thermal_bc = 3) + real(wp) :: emissivity, T_rad !< Surface emissivity and radiative surroundings temperature [K] (thermal_bc = 3) + real(wp) :: heat_power !< Heat supplied to the body, e.g. Joule heating [W; W/m per unit depth in 2D] ! Heterogeneous surface reaction 0 = none 1 = enabled integer :: surface_reaction diff --git a/src/common/m_helper.fpp b/src/common/m_helper.fpp index 84802843fc..1947955807 100644 --- a/src/common/m_helper.fpp +++ b/src/common/m_helper.fpp @@ -10,7 +10,7 @@ module m_helper use m_derived_types use m_global_parameters - use m_constants, only: BC_PERIODIC + use m_constants, only: BC_PERIODIC, ib_state_nfields use ieee_arithmetic !< For checking NaN implicit none @@ -20,7 +20,7 @@ module m_helper & s_int_to_str, s_transform_vec, s_transform_triangle, s_transform_model, s_swap, f_cross, f_create_transform_matrix, & & f_create_bbox, s_print_2D_array, f_xor, f_logical_to_int, associated_legendre, real_ylm, double_factorial, factorial, & & f_cut_on, f_cut_off, s_downsample_data, s_upsample_data, s_cross_product, f_unit_vector, s_prng, modmul, & - & s_prng_splitmix32, f_local_rank_owns_location, s_sort_int_key_value + & s_prng_splitmix32, f_local_rank_owns_location, s_sort_int_key_value, s_pack_ib_state contains @@ -794,4 +794,25 @@ contains end function f_local_rank_owns_location + !> One IB's restart_data/ib_state record; see ib_state_nfields for the layout. + pure subroutine s_pack_ib_state(ib_patch, time, buf) + + type(ib_patch_parameters), intent(in) :: ib_patch + real(wp), intent(in) :: time + real(wp), dimension(ib_state_nfields), intent(out) :: buf + + buf(1) = time + buf(2:4) = ib_patch%force(1:3) + buf(5:7) = ib_patch%torque(1:3) + buf(8:10) = ib_patch%vel(1:3) + buf(11:13) = ib_patch%angular_vel(1:3) + buf(14:16) = ib_patch%angles(1:3) + buf(17) = ib_patch%x_centroid + buf(18) = ib_patch%y_centroid + buf(19) = ib_patch%z_centroid + buf(20) = ib_patch%radius + buf(21) = ib_patch%Twall + + end subroutine s_pack_ib_state + end module m_helper diff --git a/src/post_process/m_data_output.fpp b/src/post_process/m_data_output.fpp index cf1d17dced..01261e63d5 100644 --- a/src/post_process/m_data_output.fpp +++ b/src/post_process/m_data_output.fpp @@ -13,7 +13,8 @@ module m_data_output use m_helper use m_variables_conversion use m_eos - use m_constants, only: model_eqns_gamma_law, model_eqns_5eq, model_eqns_6eq, format_silo, format_binary, precision_single + use m_constants, only: model_eqns_gamma_law, model_eqns_5eq, model_eqns_6eq, format_silo, format_binary, precision_single, & + & ib_state_nfields implicit none @@ -1363,8 +1364,7 @@ contains character(len=len_trim(case_dir) + 3*name_len) :: file_loc #ifdef MFC_MPI - integer, parameter :: NFIELDS_PER_IB = 20 - real(wp) :: ib_buf(NFIELDS_PER_IB) + real(wp) :: ib_buf(ib_state_nfields) real(wp), dimension(:,:), allocatable :: ib_data logical :: file_exist character(LEN=4*name_len), dimension(num_procs) :: meshnames @@ -1389,7 +1389,7 @@ contains nBodies = num_ibs if (nBodies > 0) then - allocate (ib_data(nBodies, NFIELDS_PER_IB)) + allocate (ib_data(nBodies, ib_state_nfields)) allocate (px(nBodies), py(nBodies), pz(nBodies)) allocate (force_x(nBodies), force_y(nBodies), force_z(nBodies)) allocate (torque_x(nBodies), torque_y(nBodies), torque_z(nBodies)) diff --git a/src/pre_process/m_data_output.fpp b/src/pre_process/m_data_output.fpp index 25b93bfabd..e6620b6acc 100644 --- a/src/pre_process/m_data_output.fpp +++ b/src/pre_process/m_data_output.fpp @@ -22,7 +22,7 @@ module m_data_output use m_boundary_io use m_thermochem, only: species_names use m_helper - use m_constants, only: model_eqns_5eq, precision_single + use m_constants, only: model_eqns_5eq, precision_single, ib_state_nfields implicit none @@ -786,16 +786,10 @@ contains type(ib_patch_parameters), intent(in) :: ib_patch integer, intent(in) :: gbl_id - real(wp), dimension(20) :: ib_buf - - ib_buf = 0._wp - ib_buf(8:10) = ib_patch%vel - ib_buf(11:13) = ib_patch%angular_vel - ib_buf(14:16) = ib_patch%angles - ib_buf(17) = ib_patch%x_centroid - ib_buf(18) = ib_patch%y_centroid - ib_buf(19) = ib_patch%z_centroid - ib_buf(20) = ib_patch%radius + real(wp), dimension(ib_state_nfields) :: ib_buf + + call s_pack_ib_state(ib_patch, 0._wp, ib_buf) + ib_buf(2:7) = 0._wp ! no force or torque before the first step if (file_per_process) write (file_unit) gbl_id write (file_unit) ib_buf diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index b358516fbf..6dff494421 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -343,6 +343,11 @@ contains patch_ib(i)%thermal_bc = 0 patch_ib(i)%Twall = 0._wp + patch_ib(i)%rho_solid = 0._wp + patch_ib(i)%cp_solid = 0._wp + patch_ib(i)%emissivity = 0._wp + patch_ib(i)%T_rad = 0._wp + patch_ib(i)%heat_power = 0._wp patch_ib(i)%surface_reaction = 0 patch_ib(i)%v_blow = 0._wp diff --git a/src/simulation/m_data_output.fpp b/src/simulation/m_data_output.fpp index 112ea52a23..09b457f742 100644 --- a/src/simulation/m_data_output.fpp +++ b/src/simulation/m_data_output.fpp @@ -19,7 +19,7 @@ module m_data_output use m_delay_file_access use m_ibm use m_boundary_common - use m_constants, only: model_eqns_5eq, precision_single + use m_constants, only: model_eqns_5eq, precision_single, ib_state_nfields implicit none @@ -1142,8 +1142,7 @@ contains integer, dimension(MPI_STATUS_SIZE) :: status logical :: file_exist, dir_check integer :: i, ib_idx - integer, parameter :: NFIELDS_PER_IB = 20 - real(wp) :: ib_buf(NFIELDS_PER_IB) + real(wp) :: ib_buf(ib_state_nfields) integer :: file_unit character(len=10) :: t_step_string @@ -1175,16 +1174,7 @@ contains write (file_unit) num_local_ibs do i = 1, num_local_ibs ib_idx = local_ib_patch_ids(i) - ib_buf(1) = mytime - ib_buf(2:4) = patch_ib(ib_idx)%force(1:3) - ib_buf(5:7) = patch_ib(ib_idx)%torque(1:3) - ib_buf(8:10) = patch_ib(ib_idx)%vel(1:3) - ib_buf(11:13) = patch_ib(ib_idx)%angular_vel(1:3) - ib_buf(14:16) = patch_ib(ib_idx)%angles(1:3) - ib_buf(17) = patch_ib(ib_idx)%x_centroid - ib_buf(18) = patch_ib(ib_idx)%y_centroid - ib_buf(19) = patch_ib(ib_idx)%z_centroid - ib_buf(20) = patch_ib(ib_idx)%radius + call s_pack_ib_state(patch_ib(ib_idx), mytime, ib_buf) write (file_unit) patch_ib(ib_idx)%gbl_patch_id write (file_unit) ib_buf @@ -1211,21 +1201,12 @@ contains do i = 1, num_local_ibs ib_idx = local_ib_patch_ids(i) - ib_buf(1) = mytime - ib_buf(2:4) = patch_ib(ib_idx)%force(1:3) - ib_buf(5:7) = patch_ib(ib_idx)%torque(1:3) - ib_buf(8:10) = patch_ib(ib_idx)%vel(1:3) - ib_buf(11:13) = patch_ib(ib_idx)%angular_vel(1:3) - ib_buf(14:16) = patch_ib(ib_idx)%angles(1:3) - ib_buf(17) = patch_ib(ib_idx)%x_centroid - ib_buf(18) = patch_ib(ib_idx)%y_centroid - ib_buf(19) = patch_ib(ib_idx)%z_centroid - ib_buf(20) = patch_ib(ib_idx)%radius + call s_pack_ib_state(patch_ib(ib_idx), mytime, ib_buf) ! Global IB index determines position in file - disp = int(patch_ib(ib_idx)%gbl_patch_id - 1, MPI_OFFSET_KIND)*int(NFIELDS_PER_IB, MPI_OFFSET_KIND)*WP_MOK + disp = int(patch_ib(ib_idx)%gbl_patch_id - 1, MPI_OFFSET_KIND)*int(ib_state_nfields, MPI_OFFSET_KIND)*WP_MOK - call MPI_FILE_WRITE_AT(ifile, disp, ib_buf, NFIELDS_PER_IB, mpi_p, status, ierr) + call MPI_FILE_WRITE_AT(ifile, disp, ib_buf, ib_state_nfields, mpi_p, status, ierr) end do call MPI_FILE_CLOSE(ifile, ierr) @@ -1240,8 +1221,7 @@ contains integer, intent(in) :: t_step character(LEN=path_len + 2*name_len) :: file_loc integer :: i, ios, file_unit - integer, parameter :: NFIELDS_PER_IB = 20 - real(wp) :: ib_buf(NFIELDS_PER_IB) + real(wp) :: ib_buf(ib_state_nfields) call s_create_directory(trim(case_dir) // '/restart_data') @@ -1252,16 +1232,7 @@ contains if (ios /= 0) call s_mpi_abort('Cannot open IB state output file: ' // trim(file_loc)) do i = 1, num_ibs - ib_buf(1) = mytime - ib_buf(2:4) = patch_ib(i)%force(1:3) - ib_buf(5:7) = patch_ib(i)%torque(1:3) - ib_buf(8:10) = patch_ib(i)%vel(1:3) - ib_buf(11:13) = patch_ib(i)%angular_vel(1:3) - ib_buf(14:16) = patch_ib(i)%angles(1:3) - ib_buf(17) = patch_ib(i)%x_centroid - ib_buf(18) = patch_ib(i)%y_centroid - ib_buf(19) = patch_ib(i)%z_centroid - ib_buf(20) = patch_ib(i)%radius + call s_pack_ib_state(patch_ib(i), mytime, ib_buf) write (file_unit) ib_buf end do diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 6157db87ef..55a1720d41 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -518,6 +518,7 @@ contains ib_coefficient_of_friction = dflt_real ib_state_wrt = .false. ib_force_wrt = .false. + ib_surface_wrt = .false. ib_force_stride = 1 many_ib_patch_parallelism = .false. @@ -695,6 +696,11 @@ contains patch_ib(i)%thermal_bc = 0 patch_ib(i)%Twall = 0._wp + patch_ib(i)%rho_solid = 0._wp + patch_ib(i)%cp_solid = 0._wp + patch_ib(i)%emissivity = 0._wp + patch_ib(i)%T_rad = 0._wp + patch_ib(i)%heat_power = 0._wp patch_ib(i)%surface_reaction = 0 patch_ib(i)%v_blow = 0._wp diff --git a/src/simulation/m_ibm.fpp b/src/simulation/m_ibm.fpp index 614d0dc4b5..8b2bb74d0d 100644 --- a/src/simulation/m_ibm.fpp +++ b/src/simulation/m_ibm.fpp @@ -31,7 +31,8 @@ module m_ibm private :: s_compute_image_points, s_compute_interpolation_coeffs, s_interpolate_image_point, s_find_ghost_points, & & s_find_num_ghost_points, s_compute_ghost_point_pressure, s_compute_ghost_point_velocity - ; public :: s_initialize_ibm_module, s_ibm_setup, s_ibm_correct_state, s_finalize_ibm_module, s_report_ibm_surface + ; public :: s_initialize_ibm_module, s_ibm_setup, s_ibm_correct_state, s_finalize_ibm_module, s_report_ibm_surface, & + & s_write_ib_surface, s_update_ib_temperatures, s_accumulate_ib_face_fluxes !> Ghost points at which the reacting-surface Newton solve did not reach its tolerance, so the point fell back to a chemically !! inert wall (keeping a prescribed Twall). Counted because that fallback is otherwise indistinguishable from a surface @@ -52,6 +53,24 @@ module m_ibm type(ghost_point), dimension(:), allocatable :: ghost_points $:GPU_DECLARE(create='[ghost_points]') + !> Surface record per ghost point from the latest s_ibm_correct_state, kept when ib_surface_wrt: (1) area weight, (2) wall + !! temperature, (3) gasified mass flux. Only ghost points within two cells of the surface carry a weight, so summing weight*flux + !! over them integrates over the surface; see s_record_gp_surface. + integer, parameter :: ib_surf_nvars = 3 + real(wp), allocatable, dimension(:,:) :: gp_surf + $:GPU_DECLARE(create='[gp_surf]') + + !> gp_surf is filled when it is written (ib_surface_wrt) or integrated for a heat-balance wall (lumped_ib). + logical :: record_surface + logical, public :: lumped_ib !< Some IB has thermal_bc = 3 + $:GPU_DECLARE(create='[record_surface]') + + !> Per global IB, for the thermal_bc = 3 update: (1) surface area, from gp_surf; (2) energy into the solid and (3) mass out of + !! it, both summed over the faces between the body's cells and fluid cells with the RK stage weights, so over a step they are + !! exactly the energy and mass the fluid exchanged with the body. + real(wp), allocatable, dimension(:,:) :: ib_heat + $:GPU_DECLARE(create='[ib_heat]') + integer :: num_gps !< Number of ghost points #if defined(MFC_OpenACC) $:GPU_DECLARE(create='[gp_layers, num_gps]') @@ -98,6 +117,7 @@ contains real(wp) :: t_init !< initial time for prescribed kinematics real(wp) :: max_num_gps_rank integer(kind=8) :: max_num_gps + integer(kind=8) :: n_lumped call nvtxStartRange("SETUP-IBM-MODULE") @@ -170,6 +190,22 @@ contains @:ALLOCATE(ghost_points(1:max_num_gps)) $:GPU_ENTER_DATA(copyin='[ghost_points]') + ! Global, not per rank: s_update_ib_temperatures is collective, and a rank whose neighborhood holds no thermal_bc = 3 + ! body must still take part in its allreduce. + call s_mpi_allreduce_integer_sum(int(count(patch_ib(1:num_ibs)%thermal_bc == 3), 8), n_lumped) + lumped_ib = n_lumped > 0 + record_surface = ib_surface_wrt .or. lumped_ib + $:GPU_UPDATE(device='[record_surface]') + if (record_surface) then + @:ALLOCATE(gp_surf(ib_surf_nvars, 1:max_num_gps)) + gp_surf = 0._wp + $:GPU_UPDATE(device='[gp_surf]') + end if + if (lumped_ib) then + @:ALLOCATE(ib_heat(3, num_gbl_ibs)) + ib_heat = 0._wp + $:GPU_UPDATE(device='[ib_heat]') + end if ! Ghost-cell IBM, Tseng & Ferziger JCP (2003), Mittal & Iaccarino ARFM (2005) call s_find_ghost_points() call s_apply_levelset(ghost_points, num_gps) @@ -347,6 +383,7 @@ contains & surface_converged, vel_sum_g, E_ghost, alpha_q, alpha_rho_q, e_q]', & & reduction='[[n_not_converged, n_ill_posed]]', reductionOp='[+]', present='[ghost_points]') do i = 1, num_gps + if (record_surface) gp_surf(:,i) = 0._wp gp = ghost_points(i) if (.not. gp%interp_valid) cycle j = gp%loc(1) @@ -409,8 +446,9 @@ contains ! NaN into the ghost state. Such a point is not solvable, so it is recorded and skipped rather than ! having its distance rescaled to something it is not. if (d > 0._wp) then - call s_solve_surface(pres_IP, T_IP, patch_ib(patch_id)%Twall, d, Ys_IP, W_species, & - & patch_ib(patch_id)%thermal_bc, Ys_s, T_s, mdot_s, surface_converged) + call s_solve_surface(pres_IP, T_IP, patch_ib(patch_id)%Twall, d, Ys_IP, W_species, merge(1, & + & patch_ib(patch_id)%thermal_bc, f_holds_twall(patch_ib(patch_id)%thermal_bc)), & + & Ys_s, T_s, mdot_s, surface_converged) if (.not. surface_converged) n_not_converged = n_not_converged + 1 else n_ill_posed = n_ill_posed + 1 @@ -431,9 +469,11 @@ contains if (.not. surface_converged) then Ys_s(1:num_species) = Ys_IP(1:num_species) T_s = T_IP - if (patch_ib(patch_id)%thermal_bc == 1) T_s = patch_ib(patch_id)%Twall + if (f_holds_twall(patch_ib(patch_id)%thermal_bc)) T_s = patch_ib(patch_id)%Twall end if + if (record_surface) call s_record_gp_surface(i, gp, T_s, mdot_s, surface_converged) + call s_blend_ghost_state(T_IP, T_s, Ys_IP, Ys_s, T_g, Ys_g) call get_mixture_molecular_weight(Ys_g, mw_g) @@ -702,6 +742,245 @@ contains end subroutine s_report_ibm_surface + !> Store ghost point i's surface record in gp_surf. The weight is the surface area the point stands for. Ghost points within two + !! cell sizes h = dV^(1/d) of the surface fill a band of volume ~2hA, so dV/(2h) each sums to the area A (a length in 2D) + !! whatever the surface's orientation to the grid. The band lies inside the solid, where a layer at depth s has area A (1 - + !! s/R)^(d-1) on a curved surface; for circles, spheres and cylinders the weight is scaled back by (R/(R - s))^(d-1), which + !! removes that bias (sampled on random lattice offsets: < 0.1% mean, 0.3% spread for a sphere at R = 12h). + subroutine s_record_gp_surface(i, gp, T_s, mdot_s, reacting) + + $:GPU_ROUTINE(parallelism='[seq]') + + integer, intent(in) :: i + type(ghost_point), intent(in) :: gp + real(wp), intent(in) :: T_s, mdot_s + logical, intent(in) :: reacting + real(wp) :: d, dV, h, R + + d = abs(real(gp%levelset, kind=wp)) + dV = dx(gp%loc(1))*dy(gp%loc(2)) + if (num_dims == 3) dV = dV*dz(gp%loc(3)) + h = dV**(1._wp/real(num_dims, wp)) + if (.not. (d > 0._wp .and. d <= 2._wp*h)) return + + gp_surf(1, i) = dV/(2._wp*h) + R = patch_ib(gp%ib_patch_id)%radius + select case (patch_ib(gp%ib_patch_id)%geometry) + case (2, 8) + gp_surf(1, i) = gp_surf(1, i)*(R/(R - d))**(num_dims - 1) + case (10) ! curved side only; the flat caps need no correction + if (abs(gp%levelset_norm(f_cylinder_axis(patch_ib(gp%ib_patch_id)))) < 0.5_wp) gp_surf(1, i) = gp_surf(1, i)*R/(R - d) + end select + + gp_surf(2, i) = T_s + gp_surf(3, i) = 0._wp + if (reacting) gp_surf(3, i) = mdot_s + + end subroutine s_record_gp_surface + + !> Axis (1, 2 or 3) of a cylinder IB: the one length that is set. + pure integer function f_cylinder_axis(ib_patch) + + $:GPU_ROUTINE(parallelism='[seq]') + + type(ib_patch_parameters), intent(in) :: ib_patch + + f_cylinder_axis = 3 + if (ib_patch%length_x > 0._wp) f_cylinder_axis = 1 + if (ib_patch%length_y > 0._wp) f_cylinder_axis = 2 + + end function f_cylinder_axis + + !> Write this rank's surface records to D/ib_surface__.dat, one line per weighted ghost point. + impure subroutine s_write_ib_surface(save_count) + + integer, intent(in) :: save_count + character(LEN=path_len + 2*name_len) :: file_loc + real(wp) :: x(3) + integer :: i, unit + + if (.not. allocated(gp_surf)) return + + if (num_gps > 0) then + $:GPU_UPDATE(host='[gp_surf(:, 1:num_gps), ghost_points(1:num_gps)]') + end if + + write (file_loc, '(A,I0,A,I0,A)') trim(case_dir) // '/D/ib_surface_', proc_rank, '_', save_count, '.dat' + open (newunit=unit, file=trim(file_loc), status='replace', action='write') + do i = 1, num_gps + if (.not. gp_surf(1, i) > 0._wp) cycle + x = 0._wp + x(1) = x_cc(ghost_points(i)%loc(1)) + x(2) = y_cc(ghost_points(i)%loc(2)) + if (num_dims == 3) x(3) = z_cc(ghost_points(i)%loc(3)) + write (unit, '(3ES16.8,1X,I0,3ES15.6,3ES16.8)') x, patch_ib(ghost_points(i)%ib_patch_id)%gbl_patch_id, & + & ghost_points(i)%levelset_norm, gp_surf(:,i) + end do + close (unit) + + end subroutine s_write_ib_surface + + !> The surface temperature is held at Twall: prescribed (thermal_bc = 1) or evolved by the heat balance (thermal_bc = 3). + pure logical function f_holds_twall(thermal_bc) + + $:GPU_ROUTINE(parallelism='[seq]') + + integer, intent(in) :: thermal_bc + + f_holds_twall = thermal_bc == 1 .or. thermal_bc == 3 + + end function f_holds_twall + + !> Solid volume of a circle (per unit depth), sphere or cylinder IB. + pure real(wp) function f_ib_volume(ib_patch) + $:GPU_ROUTINE(parallelism='[seq]') + + type(ib_patch_parameters), intent(in) :: ib_patch + + select case (ib_patch%geometry) + case (2) + f_ib_volume = pi*ib_patch%radius**2 + case (8) + f_ib_volume = 4._wp/3._wp*pi*ib_patch%radius**3 + case default + f_ib_volume = pi*ib_patch%radius**2*max(ib_patch%length_x, ib_patch%length_y, ib_patch%length_z) + end select + + end function f_ib_volume + + !> Add this RK stage's fluid-body face fluxes to ib_heat(2:3), weighted so the stages of a step sum to the step's exchange + !! (SSP-RK: 1; 1/2, 1/2; 1/6, 1/6, 2/3). A face counts on the rank owning its fluid cell, so no face is counted twice. The + !! fluxes are the totals the RHS differences: Riemann (flux_vf) plus viscous, conductive and diffusive (flux_src_vf). + subroutine s_accumulate_ib_face_fluxes(idir, flux_vf, flux_src_vf, stage) + + integer, intent(in) :: idir, stage + type(scalar_field), dimension(sys_size), intent(in) :: flux_vf, flux_src_vf + real(wp), dimension(3), parameter :: w_rk3 = [1._wp/6._wp, 1._wp/6._wp, 2._wp/3._wp] + real(wp) :: w, area, f_E, f_m + integer :: j, k, l, jn, kn, ln, cell(3), side, ib_id, ib_tmp, g, q + integer :: j0, k0, l0 + logical :: has_src + + w = 1._wp + if (time_stepper == time_stepper_rk2) w = 0.5_wp + if (time_stepper == time_stepper_rk3) w = w_rk3(stage) + has_src = viscous .or. surface_tension .or. chem_params%diffusion .or. heat_conduction + j0 = 0; k0 = 0; l0 = 0 + if (idir == 1) j0 = -1 + if (idir == 2) k0 = -1 + if (idir == 3) l0 = -1 + + ! Face (j, k, l) lies between that cell and the next one along idir + $:GPU_PARALLEL_LOOP(collapse=3, private='[j, k, l, jn, kn, ln, cell, side, ib_id, ib_tmp, g, q, area, f_E, f_m]', & + & copyin='[w, has_src, idir, j0, k0, l0]') + do l = l0, p + do k = k0, n + do j = j0, m + jn = j; kn = k; ln = l + if (idir == 1) jn = j + 1 + if (idir == 2) kn = k + 1 + if (idir == 3) ln = l + 1 + ! side = +1: body on the far side, the face flux enters it; -1: body on the near side, the flux leaves it + side = 0 + if (ib_markers%sf(j, k, l) == 0 .and. ib_markers%sf(jn, kn, ln) /= 0) then + if (j >= 0 .and. k >= 0 .and. l >= 0) side = 1 + else if (ib_markers%sf(j, k, l) /= 0 .and. ib_markers%sf(jn, kn, ln) == 0) then + if (jn <= m .and. kn <= n .and. ln <= p) side = -1 + end if + if (side /= 0) then + cell = [jn, kn, ln] + if (side == -1) cell = [j, k, l] + call s_decode_patch_periodicity(ib_markers%sf(cell(1), cell(2), cell(3)), ib_tmp) + call s_get_neighborhood_idx(ib_tmp, ib_id) + if (ib_id > 0) then + if (patch_ib(ib_id)%thermal_bc == 3) then + if (idir == 1) area = dy(k) + if (idir == 2) area = dx(j) + if (idir == 3) area = dx(j)*dy(k) + if (num_dims == 3 .and. idir /= 3) area = area*dz(l) + f_E = flux_vf(eqn_idx%E)%sf(j, k, l) + if (has_src) f_E = f_E + flux_src_vf(eqn_idx%E)%sf(j, k, l) + f_m = 0._wp + do q = eqn_idx%cont%beg, eqn_idx%cont%end + f_m = f_m + flux_vf(q)%sf(j, k, l) + end do + g = patch_ib(ib_id)%gbl_patch_id + $:GPU_ATOMIC(atomic='update') + ib_heat(2, g) = ib_heat(2, g) + real(side, wp)*w*area*f_E + $:GPU_ATOMIC(atomic='update') + ib_heat(3, g) = ib_heat(3, g) - real(side, wp)*w*area*f_m + end if + end if + end if + end do + end do + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_accumulate_ib_face_fluxes + + !> Advance the temperature of each thermal_bc = 3 IB over one step, treating it as one lumped body (small Biot number). With + !! E_solid = m c_s (T - T_ref) and the step's face exchange (energy in, mass out) from s_accumulate_ib_face_fluxes, m c_s dT/dt + !! = Q_in + c_s (T - T_ref) Mdot_out + heat_power - emissivity sigma A (T^4 - T_rad^4). T_ref = 298.15 K is the reference of the + !! formation enthalpies, so the gas energy the solid's lost carbon carries is consistent. The step is explicit: the body's + !! thermal time m c_s/(h A) is many orders of magnitude longer than a flow step. + impure subroutine s_update_ib_temperatures(dt_step) + + real(wp), intent(in) :: dt_step + real(wp), parameter :: sigma_sb = 5.670374419e-8_wp !< Stefan-Boltzmann constant [W/m^2/K^4] + real(wp), parameter :: T_ref = 298.15_wp + real(wp) :: q_in + integer :: i, g + + ! Area from the surface records of the last stage + + $:GPU_PARALLEL_LOOP(private='[g]') + do g = 1, num_gbl_ibs + ib_heat(1, g) = 0._wp + end do + $:END_GPU_PARALLEL_LOOP() + if (num_gps > 0) then + $:GPU_PARALLEL_LOOP(private='[i, g]') + do i = 1, num_gps + if (gp_surf(1, i) > 0._wp) then + if (patch_ib(ghost_points(i)%ib_patch_id)%thermal_bc == 3) then + g = patch_ib(ghost_points(i)%ib_patch_id)%gbl_patch_id + $:GPU_ATOMIC(atomic='update') + ib_heat(1, g) = ib_heat(1, g) + gp_surf(1, i) + end if + end if + end do + $:END_GPU_PARALLEL_LOOP() + end if + $:GPU_UPDATE(host='[ib_heat]') + call s_mpi_allreduce_vectors_sum(ib_heat, ib_heat, 3, num_gbl_ibs) + $:GPU_UPDATE(device='[ib_heat]') + + ! On the device, where patch_ib is current (moving IBs update it there) + $:GPU_PARALLEL_LOOP(private='[i, g, q_in]', copyin='[dt_step]') + do i = 1, num_ibs + if (patch_ib(i)%thermal_bc == 3) then + g = patch_ib(i)%gbl_patch_id + q_in = ib_heat(2, g) + patch_ib(i)%cp_solid*(patch_ib(i)%Twall - T_ref)*ib_heat(3, & + & g) + patch_ib(i)%heat_power - patch_ib(i)%emissivity*sigma_sb*ib_heat(1, & + & g)*(patch_ib(i)%Twall**4 - patch_ib(i)%T_rad**4) + patch_ib(i)%Twall = min(max(patch_ib(i)%Twall & + & + dt_step*q_in/(patch_ib(i)%rho_solid*patch_ib(i)%cp_solid*f_ib_volume(patch_ib(i))), T_surface_min), & + & T_surface_max) + end if + end do + $:END_GPU_PARALLEL_LOOP() + + ! The next step accumulates afresh + $:GPU_PARALLEL_LOOP(private='[g]') + do g = 1, num_gbl_ibs + ib_heat(2, g) = 0._wp + ib_heat(3, g) = 0._wp + end do + $:END_GPU_PARALLEL_LOOP() + + end subroutine s_update_ib_temperatures + !> Compute the image points for each ghost point impure subroutine s_compute_image_points() @@ -2020,6 +2299,12 @@ contains if (allocated(ghost_points)) then @:DEALLOCATE(ghost_points) end if + if (allocated(gp_surf)) then + @:DEALLOCATE(gp_surf) + end if + if (allocated(ib_heat)) then + @:DEALLOCATE(ib_heat) + end if if (collision_model > 0) call s_finalize_collisions_module() #ifdef MFC_MPI if (allocated(ib_nbrs)) deallocate (ib_nbrs, ib_send_counts, ib_reqs, ib_stats, ib_send_bufs, ib_recv_bufs) diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp index 71a13a1393..194ecb5847 100644 --- a/src/simulation/m_mpi_proxy.fpp +++ b/src/simulation/m_mpi_proxy.fpp @@ -171,7 +171,7 @@ contains do i = 1, num_ibs #:for VAR in [ 'radius', 'length_x', 'length_y', 'length_z', & & 'x_centroid', 'y_centroid', 'z_centroid', 'slip', 'mass', 'v_blow', & - & 'Twall', 'burn_rate_exp', 'burn_rate_pref'] + & 'Twall', 'rho_solid', 'cp_solid', 'emissivity', 'T_rad', 'heat_power', 'burn_rate_exp', 'burn_rate_pref'] call MPI_BCAST(patch_ib(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor #:for VAR in ['vel', 'angular_vel', 'angles', 'kin_hinge', 'kin_offset'] diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 7e74b33ed2..c53e68327d 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -744,6 +744,9 @@ contains call nvtxEndRange end if + ! Energy and mass the fluid exchanges with each thermal_bc = 3 body through this direction's faces + if (lumped_ib) call s_accumulate_ib_face_fluxes(id, flux_n(id)%vf, flux_src_n(id)%vf, stage) + ! Bubble dynamics source terms if (bubbles_euler) then call nvtxStartRange("RHS-BUBBLES-COMPUTE") diff --git a/src/simulation/m_start_up.fpp b/src/simulation/m_start_up.fpp index 4933921df9..e7f26306b8 100644 --- a/src/simulation/m_start_up.fpp +++ b/src/simulation/m_start_up.fpp @@ -52,7 +52,8 @@ module m_start_up use m_body_forces use m_sim_helpers use m_igr - use m_constants, only: model_eqns_6eq, time_stepper_rk1, time_stepper_rk2, time_stepper_rk3, recon_type_weno, recon_type_muscl + use m_constants, only: model_eqns_6eq, time_stepper_rk1, time_stepper_rk2, time_stepper_rk3, recon_type_weno, & + & recon_type_muscl, ib_state_nfields implicit none @@ -807,6 +808,7 @@ contains ! Write IB kinematic state for restart if (ib) call s_write_ib_state_file(save_count) + if (ib .and. ib_surface_wrt) call s_write_ib_surface(save_count) call nvtxEndRange call cpu_time(finish) @@ -1204,6 +1206,11 @@ contains ! reaction and blowing fields must be set here rather than left as whatever patch_ib held. ib_patch%thermal_bc = 0 ib_patch%Twall = 0._wp + ib_patch%rho_solid = 0._wp + ib_patch%cp_solid = 0._wp + ib_patch%emissivity = 0._wp + ib_patch%T_rad = 0._wp + ib_patch%heat_power = 0._wp ib_patch%surface_reaction = 0 ib_patch%v_blow = 0._wp ib_patch%inj_species = 0 @@ -1226,8 +1233,7 @@ contains type(ib_patch_parameters), allocatable, dimension(:) :: namelist_ibs character(len=path_len + 2*name_len) :: file_loc integer :: i, ios, file_unit, gbl_id, n_records - integer, parameter :: NFIELDS_PER_IB = 20 - real(wp) :: ib_buf(NFIELDS_PER_IB) + real(wp) :: ib_buf(ib_state_nfields) character(len=10) :: t_step_string moving_immersed_boundary_flag = any(patch_ib(1:num_ibs)%moving_ibm /= 0) & @@ -1282,6 +1288,7 @@ contains patch_ib(num_ibs)%y_centroid = ib_buf(18) patch_ib(num_ibs)%z_centroid = ib_buf(19) patch_ib(num_ibs)%radius = ib_buf(20) + patch_ib(num_ibs)%Twall = ib_buf(21) local_ib_patch_ids(num_ibs) = num_ibs end do diff --git a/src/simulation/m_time_steppers.fpp b/src/simulation/m_time_steppers.fpp index c1f46719ad..1771c428c0 100644 --- a/src/simulation/m_time_steppers.fpp +++ b/src/simulation/m_time_steppers.fpp @@ -616,6 +616,7 @@ contains else if (ib_state_wrt) then call s_compute_ib_forces(q_prim_vf, fluid_pp) end if + if (lumped_ib) call s_update_ib_temperatures(dt) end if ! Adaptive dt: final stage diff --git a/tests/641CC3F0/golden-metadata.txt b/tests/641CC3F0/golden-metadata.txt new file mode 100644 index 0000000000..91bac4a3d0 --- /dev/null +++ b/tests/641CC3F0/golden-metadata.txt @@ -0,0 +1,144 @@ +This file was created on 2026-10-07 09:31:12.657130. + +mfc.sh: + + Invocation: test --no-mpi --no-gpu -j 24 --generate -o 641CC3F0 + Lock: mpi=No & gpu=No & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: 883da31ac531536b125a60e2027e612bcd256843 on ib-lumped-temperature (dirty) + +pre_process: + + CMake Configuration: + + CMake v3.24.2 on tuolumne2150 + + C : Clang v19.1.6 (/opt/cray/pe/craype/2.7.34/bin/cc) + Fortran : Cray v19.0.0 (/opt/cray/pe/craype/2.7.34/bin/ftn) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : OFF + OpenACC : OFF + OpenMP : OFF + + Fypp : /p/lustre5/bryngelson1/mfc-wt/ib-lumped-temperature/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.34/bin/cc + CXX : /opt/cray/pe/craype/2.7.34/bin/CC + FC : /opt/cray/pe/craype/2.7.34/bin/ftn + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v3.24.2 on tuolumne2150 + + C : Clang v19.1.6 (/opt/cray/pe/craype/2.7.34/bin/cc) + Fortran : Cray v19.0.0 (/opt/cray/pe/craype/2.7.34/bin/ftn) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : OFF + OpenACC : OFF + OpenMP : OFF + + Fypp : /p/lustre5/bryngelson1/mfc-wt/ib-lumped-temperature/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.34/bin/cc + CXX : /opt/cray/pe/craype/2.7.34/bin/CC + FC : /opt/cray/pe/craype/2.7.34/bin/ftn + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v3.24.2 on tuolumne2150 + + C : Clang v19.1.6 (/opt/cray/pe/craype/2.7.34/bin/cc) + Fortran : Cray v19.0.0 (/opt/cray/pe/craype/2.7.34/bin/ftn) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : OFF + OpenACC : OFF + OpenMP : OFF + + Fypp : /p/lustre5/bryngelson1/mfc-wt/ib-lumped-temperature/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /opt/cray/pe/craype/2.7.34/bin/cc + CXX : /opt/cray/pe/craype/2.7.34/bin/CC + FC : /opt/cray/pe/craype/2.7.34/bin/ftn + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Byte Order: Little Endian + CPU(s): 192 + On-line CPU(s) list: 0-95 + Off-line CPU(s) list: 96-191 + Thread(s) per core: 1 + Core(s) per socket: 24 + Socket(s): 4 + NUMA node(s): 4 + Vendor ID: AuthenticAMD + CPU family: 25 + Model: 144 + Model name: AMD Instinct MI300A Accelerator + Stepping: 1 + CPU MHz: 3700.000 + CPU max MHz: 3700.0000 + CPU min MHz: 1500.0000 + BogoMIPS: 7400.38 + Virtualization: AMD-V + L1d cache: 32K + L1i cache: 32K + L2 cache: 1024K + L3 cache: 32768K + NUMA node0 CPU(s): 0-23 + NUMA node1 CPU(s): 24-47 + NUMA node2 CPU(s): 48-71 + NUMA node3 CPU(s): 72-95 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good amd_lbr_v2 nopl nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq monitor ssse3 fma cx16 pcid sse4_1 sse4_2 movbe popcnt aes xsave avx f16c rdrand lahf_lm cmp_legacy svm extapic cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw ibs skinit wdt tce topoext perfctr_core perfctr_nb bpext perfctr_llc mwaitx cpb cat_l3 cdp_l3 invpcid_single hw_pstate ssbd mba perfmon_v2 ibrs ibpb stibp ibrs_enhanced vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid cqm rdt_a avx512f avx512dq rdseed adx smap avx512ifma clflushopt clwb avx512cd sha_ni avx512bw avx512vl xsaveopt 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0.0068222 0.0068222 +D/ib_surface_0_1.dat 0.0013599206 0.00130206435 0.00125626954 0.00129678654 0.00136981631 0.00128212614 0.00123000074 0.00127700731 0.00136256725 0.00135333089 0.00132902841 0.00134967252 \ No newline at end of file diff --git a/toolchain/mfc/case_validator.py b/toolchain/mfc/case_validator.py index 36fce10a00..cc67031abd 100644 --- a/toolchain/mfc/case_validator.py +++ b/toolchain/mfc/case_validator.py @@ -799,6 +799,8 @@ def check_ibm(self): self.prohibit(ib_state_wrt and not ib, "ib_state_wrt requires ib to be enabled") ib_force_wrt = self.get("ib_force_wrt", False) self.prohibit(ib_force_wrt and not ib, "ib_force_wrt requires ib to be enabled") + ib_surface_wrt = self.get("ib_surface_wrt", "F") == "T" + self.prohibit(ib_surface_wrt and not (ib and self.get("chemistry", "F") == "T"), "ib_surface_wrt requires ib and chemistry") ib_force_stride = self.get("ib_force_stride", 1) self.prohibit(ib_force_stride < 1, "ib_force_stride must be >= 1") @@ -822,7 +824,7 @@ def check_ibm(self): surface_reaction = self.get(f"patch_ib({i})%surface_reaction", 0) or 0 self.prohibit(inj_species < 0, f"patch_ib({i})%inj_species must be >= 0") - self.prohibit(thermal_bc not in (0, 1, 2), f"patch_ib({i})%thermal_bc must be 0, 1 or 2") + self.prohibit(thermal_bc not in (0, 1, 2, 3), f"patch_ib({i})%thermal_bc must be 0, 1, 2 or 3") self.prohibit(surface_reaction not in (0, 1), f"patch_ib({i})%surface_reaction must be 0 or 1") # thermal_bc is acted on only by the chemistry ghost-state reconstruction in @@ -835,18 +837,34 @@ def check_ibm(self): # Bounded by the tabulated thermodynamic range, not merely positive: a wall # temperature outside it is a state the NASA polynomial fits do not cover, and the # ghost reconstruction can only hand such a value straight back. - if thermal_bc == 1: + if thermal_bc in (1, 3): surface_window = get_fortran_real_constants() t_min = surface_window.get("T_surface_min", 200.0) t_max = surface_window.get("T_surface_max", 5000.0) twall = self.get(f"patch_ib({i})%Twall", 0.0) or 0.0 self.prohibit( twall < t_min or twall > t_max, - f"patch_ib({i})%Twall must be within [{t_min:g}, {t_max:g}] K when thermal_bc = 1", + f"patch_ib({i})%Twall must be within [{t_min:g}, {t_max:g}] K when thermal_bc = 1 or 3", ) self.prohibit(thermal_bc == 2 and surface_reaction != 1, f"patch_ib({i})%thermal_bc = 2 requires surface_reaction = 1") + # thermal_bc = 3 evolves Twall as one lumped body, so it needs the body's heat capacity and volume. + if thermal_bc == 3: + for prop in ("rho_solid", "cp_solid"): + self.prohibit((self.get(f"patch_ib({i})%{prop}", 0.0) or 0.0) <= 0, f"patch_ib({i})%{prop} must be > 0 when thermal_bc = 3") + self.prohibit( + self.get(f"patch_ib({i})%geometry", 0) not in (2, 8, 10), + f"patch_ib({i})%thermal_bc = 3 requires a circle (2), sphere (8) or cylinder (10)", + ) + self.prohibit(self.get("igr", "F") == "T", f"patch_ib({i})%thermal_bc = 3 is not supported with igr") + emissivity = self.get(f"patch_ib({i})%emissivity", 0.0) or 0.0 + self.prohibit(not 0 <= emissivity <= 1, f"patch_ib({i})%emissivity must be in [0, 1]") + self.prohibit( + emissivity > 0 and (self.get(f"patch_ib({i})%T_rad", 0.0) or 0.0) <= 0, + f"patch_ib({i})%T_rad must be > 0 when emissivity > 0", + ) + if surface_reaction == 1: self.prohibit(not chemistry, f"patch_ib({i})%surface_reaction = 1 requires chemistry = T") self.prohibit(inj_species > 0, f"patch_ib({i})%surface_reaction = 1 cannot be combined with inj_species > 0") diff --git a/toolchain/mfc/lint_docs.py b/toolchain/mfc/lint_docs.py index e86b24d1d8..f772ffa6a4 100644 --- a/toolchain/mfc/lint_docs.py +++ b/toolchain/mfc/lint_docs.py @@ -72,6 +72,9 @@ "m_constants", # Build/run target name (not a case param) "pre_process", + # Output file column names (ib_surface_wrt) + "area", + "mdot", } # Docs to check for parameter references, with per-file skip sets diff --git a/toolchain/mfc/params/definitions.py b/toolchain/mfc/params/definitions.py index 159dd9aaeb..9160d88ccc 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -703,7 +703,7 @@ def _load(): _r("precision", INT, {"output"}) _r("format", INT, {"output"}) _r("ib_force_stride", INT, {"output", "ib"}) - for n in ["parallel_io", "file_per_process", "run_time_info", "prim_vars_wrt", "cons_vars_wrt", "fft_wrt", "ib_state_wrt", "ib_force_wrt"]: + for n in ["parallel_io", "file_per_process", "run_time_info", "prim_vars_wrt", "cons_vars_wrt", "fft_wrt", "ib_state_wrt", "ib_force_wrt", "ib_surface_wrt"]: _r(n, LOG, {"output"}) for n in [ "schlieren_wrt", @@ -988,7 +988,20 @@ def _load(): _ib_attrs: Dict[str, tuple] = {} for a in ["geometry", "moving_ibm", "airfoil_id", "model_id", "inj_species", "thermal_bc", "surface_reaction"]: _ib_attrs[a] = (INT, _ib_tags) - for a, pt in [("radius", REAL), ("slip", LOG), ("mass", REAL), ("Twall", REAL), ("v_blow", REAL), ("burn_rate_exp", REAL), ("burn_rate_pref", REAL)]: + for a, pt in [ + ("radius", REAL), + ("slip", LOG), + ("mass", REAL), + ("Twall", REAL), + ("rho_solid", REAL), + ("cp_solid", REAL), + ("emissivity", REAL), + ("T_rad", REAL), + ("heat_power", REAL), + ("v_blow", REAL), + ("burn_rate_exp", REAL), + ("burn_rate_pref", REAL), + ]: _ib_attrs[a] = (pt, _ib_tags) for j in range(1, 4): _ib_attrs[f"angles({j})"] = (REAL, _ib_tags) @@ -1356,6 +1369,7 @@ def _decl(targets: set, *names: str) -> None: "ib_state_wrt", "ib_force_wrt", "ib_force_stride", + "ib_surface_wrt", "avg_state", "alt_soundspeed", "mixture_err", diff --git a/toolchain/mfc/params/descriptions.py b/toolchain/mfc/params/descriptions.py index 7dfb46f3ea..4ef88b6416 100644 --- a/toolchain/mfc/params/descriptions.py +++ b/toolchain/mfc/params/descriptions.py @@ -137,6 +137,7 @@ # Immersed boundaries "ib": "Enable immersed boundary method", "ib_force_wrt": "Record the immersed-boundary force history to D/ib_forces.dat (default off)", + "ib_surface_wrt": "Write per-surface-point wall temperature and gasified mass flux of thermal/reacting IBs to D/ib_surface__.dat (default off)", "ib_force_stride": "Write the per-step immersed-boundary force record every N steps (default 1)", "num_ibs": "Number of immersed boundary patches", "num_stl_models": "Number of STL/OBJ model entries in the stl_models array", diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index d169be52bc..f9647b4471 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -3850,6 +3850,26 @@ def ibm_burn_rate_cases(): # PR, the theta_T branch is left without one. See MFlowCode/MFC#1892: once the surface # solver is a module of its own, this is a unit test with no CFD in it. + # thermal_bc = 3 on the same example and mechanism, at the Example grid cap (~16 steps to 2e-5 s). rho*c = 1e4 J/m^3/K, + # far below graphite's, so the wall temperature moves by a few K within the test; ib_surface_wrt exercises the writer. + cases.append( + define_case_f( + "2D -> Chemistry -> IBM Reacting Surface -> Lumped Wall", + "examples/2D_ibm_reacting_surface/case.py", + mods={ + "m": 24, + "n": 24, + "parallel_io": "F", + "t_stop": 2.0e-5, + "t_save": 2.0e-5, + "ib_surface_wrt": "T", + "patch_ib(1)%thermal_bc": 3, + "patch_ib(1)%rho_solid": 10.0, + "patch_ib(1)%cp_solid": 1000.0, + }, + ) + ) + def direction_symmetry_tests(): """3D tests with shock propagating in x and y directions. diff --git a/toolchain/mfc/test/test.py b/toolchain/mfc/test/test.py index 53cfa93488..0eb0de3e6d 100644 --- a/toolchain/mfc/test/test.py +++ b/toolchain/mfc/test/test.py @@ -25,6 +25,7 @@ ) from ..packer import packer from ..packer import tol as packtol +from ..params.namelist_parser import get_fortran_constants from ..printer import cons from ..state import ARG from .case import TestCase @@ -58,9 +59,9 @@ class TestTimeoutError(MFCException): pass -# ib_state_*.dat record layout, written by s_write_serial_ib_state / s_write_parallel_ib_state in -# src/simulation/m_data_output.fpp: NFIELDS_PER_IB reals per IB, with x/y/z_centroid at fields 17:19. -_NFIELDS_PER_IB = 20 +# ib_state_*.dat record layout (s_pack_ib_state in src/common/m_helper.fpp): ib_state_nfields reals per IB, +# with x/y/z_centroid at fields 17:19. +_NFIELDS_PER_IB = get_fortran_constants()["ib_state_nfields"] _CENTROID_SLICE = slice(16, 19) diff --git a/toolchain/mfc/test_case_validator.py b/toolchain/mfc/test_case_validator.py index c0170452d9..d67e9f1715 100644 --- a/toolchain/mfc/test_case_validator.py +++ b/toolchain/mfc/test_case_validator.py @@ -600,7 +600,7 @@ def case(self, **patch): return p def test_ranges_are_enforced(self): - self.assertRejects(self.case(thermal_bc=3), "thermal_bc must be 0, 1 or 2") + self.assertRejects(self.case(thermal_bc=4), "thermal_bc must be 0, 1, 2 or 3") self.assertRejects(self.case(surface_reaction=2), "surface_reaction must be 0 or 1") self.assertRejects(self.case(inj_species=-1), "inj_species must be >= 0") @@ -625,6 +625,19 @@ def test_twall_must_lie_in_the_tabulated_range(self): self.assertRejects({**self.case(thermal_bc=1, Twall=9000.0), "chemistry": "T"}, "Twall must be within") self.assertAccepts({**self.case(thermal_bc=1, Twall=210.0), "chemistry": "T"}) + def test_surface_output_needs_chemistry(self): + self.assertRejects({**self.case(thermal_bc=1, Twall=1200.0), "ib_surface_wrt": "T"}, "ib_surface_wrt requires ib and chemistry") + self.assertAccepts({**self.case(thermal_bc=1, Twall=1200.0), "chemistry": "T", "ib_surface_wrt": "T"}) + + def test_a_lumped_body_needs_its_heat_capacity_and_shape(self): + body = {**self.case(thermal_bc=3, Twall=1200.0, rho_solid=1800.0, cp_solid=700.0), "chemistry": "T"} + self.assertAccepts(body) + self.assertRejects({**body, "patch_ib(1)%cp_solid": 0.0}, "cp_solid must be > 0 when thermal_bc = 3") + self.assertRejects({**body, "patch_ib(1)%Twall": 50.0}, "Twall must be within") + self.assertRejects({**body, "patch_ib(1)%geometry": 3, "patch_ib(1)%length_x": 0.1, "patch_ib(1)%length_y": 0.1}, "requires a circle (2), sphere (8) or cylinder (10)") + self.assertRejects({**body, "patch_ib(1)%emissivity": 0.9}, "T_rad must be > 0 when emissivity > 0") + self.assertAccepts({**body, "patch_ib(1)%emissivity": 0.9, "patch_ib(1)%T_rad": 300.0, "patch_ib(1)%heat_power": 5.0}) + def test_the_energy_balance_needs_a_reacting_surface(self): self.assertRejects({**self.case(thermal_bc=2), "chemistry": "T"}, "thermal_bc = 2 requires surface_reaction = 1") self.assertAccepts({**self.case(thermal_bc=2, surface_reaction=1), "chemistry": "T", "surface_cantera_file": "s.yaml", "surface_phase": "surf"})