diff --git a/docs/documentation/case.md b/docs/documentation/case.md index 4efcc06e03..7a9c7d141f 100644 --- a/docs/documentation/case.md +++ b/docs/documentation/case.md @@ -365,6 +365,7 @@ This is enabled by adding ``'elliptic_smoothing': "T",`` and ``'elliptic_smoothi | `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_layer` | Real | Thickness of the initial conductive layer around a `thermal_bc = 1` circle or sphere [m]; 0 = none. | | `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. | @@ -420,6 +421,8 @@ Additional details on this specification can be found in [NACA airfoil](https:// - `Twall` specifies the prescribed surface temperature when `thermal_bc = 1` and must be positive in that case. +- `thermal_layer` = δ > 0 starts the gas around a `thermal_bc = 1` circle (geometry 2) or sphere (geometry 8) in the conduction solution for a wall brought to `Twall` a time t₀ = δ²/(4α) earlier: T = T∞ + (`Twall` − T∞)(R/r)^((d−1)/2) erfc((r − R)/δ), with pressure and composition unchanged. It is exact for a sphere and the leading-order term for a cylinder. Without it a hot wall meets ambient gas as a temperature step at t = 0, and the near-wall cells heat faster than they can expand; on coarse grids that transient can drive the state non-physical. Resolve δ with a few cells. Where layers overlap, the IB with the largest temperature change sets the cell, and periodic directions use the nearest image. + - `surface_reaction` enables heterogeneous surface chemistry when set to 1. Surface reactions require `chemistry = T` and cannot be combined with `inj_species > 0`. - For STL/OBJ geometry (geometry 5 or 12), set `model_id` to index into the `stl_models` array and specify `model_filepath`, `model_scale`, `model_translate`, and `model_threshold` on that entry. diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp index 4c048fad3f..bbf14a7bc3 100644 --- a/src/common/m_derived_types.fpp +++ b/src/common/m_derived_types.fpp @@ -365,6 +365,7 @@ module m_derived_types ! 2 = reacting surface energy balance integer :: thermal_bc real(wp) :: Twall + real(wp) :: thermal_layer !< Initial conductive-layer thickness around a thermal_bc = 1 IB [m]; 0 = none ! Heterogeneous surface reaction 0 = none 1 = enabled integer :: surface_reaction diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp index b358516fbf..f1abc09ca0 100644 --- a/src/pre_process/m_global_parameters.fpp +++ b/src/pre_process/m_global_parameters.fpp @@ -343,6 +343,7 @@ contains patch_ib(i)%thermal_bc = 0 patch_ib(i)%Twall = 0._wp + patch_ib(i)%thermal_layer = 0._wp patch_ib(i)%surface_reaction = 0 patch_ib(i)%v_blow = 0._wp diff --git a/src/pre_process/m_initial_condition.fpp b/src/pre_process/m_initial_condition.fpp index d788bb0a6e..78672a240c 100644 --- a/src/pre_process/m_initial_condition.fpp +++ b/src/pre_process/m_initial_condition.fpp @@ -126,6 +126,9 @@ contains if (mixlayer_perturb) call s_perturb_mixlayer(ic%q_prim_vf) if (simplex_perturb) call s_perturb_simplex(ic%q_prim_vf) if (chemistry) call s_compute_T_from_primitives(ic%q_T_sf, ic%q_prim_vf, idwint) + if (chemistry .and. ib) then + if (any(patch_ib(1:num_ibs)%thermal_layer > 0._wp)) call s_apply_ib_thermal_layers(ic%q_prim_vf, ic%q_T_sf) + end if if (elliptic_smoothing .and. chemistry) then call s_elliptic_smoothing(ic%q_prim_vf, ic%bc_type, ic%q_T_sf) @@ -143,6 +146,56 @@ contains end subroutine s_generate_initial_condition + !> Start the gas around each prescribed-temperature circle/sphere IB in the conduction solution for a wall impulsively brought + !! to Twall a time t0 ago, T = T_inf + (Twall - T_inf)*(R/r)^((d-1)/2)*erfc((r - R)/delta), delta = 2*sqrt(alpha*t0). Exact for + !! a sphere and the leading-order term for a cylinder (Carslaw & Jaeger). Pressure and composition are kept, so density scales + !! as T_inf/T. Where layers overlap, the IB with the largest temperature change sets the cell. + impure subroutine s_apply_ib_thermal_layers(q_prim_vf, q_T_sf) + + type(scalar_field), dimension(sys_size), intent(inout) :: q_prim_vf + type(scalar_field), intent(inout) :: q_T_sf + ! erfc(6) ~ 2e-17: beyond 6 delta a layer changes nothing + real(wp), parameter :: reach = 6._wp + real(wp) :: x(3), c(3), span(3), r, R_ib, dT, dT_i, T_inf + logical :: periodic(3) + integer :: i, j, k, l, d + + span = [x_domain%end - x_domain%beg, y_domain%end - y_domain%beg, z_domain%end - z_domain%beg] + periodic = [bc_x%beg == BC_PERIODIC, bc_y%beg == BC_PERIODIC, bc_z%beg == BC_PERIODIC] + + do l = 0, p + do k = 0, n + do j = 0, m + x = 0._wp + x(1) = x_cc(j) + if (n > 0) x(2) = y_cc(k) + if (p > 0) x(3) = z_cc(l) + T_inf = q_T_sf%sf(j, k, l) + dT = 0._wp + do i = 1, num_ibs + if (.not. patch_ib(i)%thermal_layer > 0._wp) cycle + c = [patch_ib(i)%x_centroid, patch_ib(i)%y_centroid, patch_ib(i)%z_centroid] + do d = 1, num_dims + c(d) = x(d) - c(d) + if (periodic(d)) c(d) = c(d) - span(d)*nint(c(d)/span(d)) + end do + r = norm2(c(1:num_dims)) + R_ib = patch_ib(i)%radius + if (r - R_ib > reach*patch_ib(i)%thermal_layer) cycle + dT_i = (patch_ib(i)%Twall - T_inf)*(R_ib/max(r, R_ib))**(0.5_wp*real(num_dims - 1, & + & wp))*erfc(max(r - R_ib, 0._wp)/patch_ib(i)%thermal_layer) + if (abs(dT_i) > abs(dT)) dT = dT_i + end do + if (dT /= 0._wp) then + q_prim_vf(eqn_idx%cont%beg)%sf(j, k, l) = q_prim_vf(eqn_idx%cont%beg)%sf(j, k, l)*T_inf/(T_inf + dT) + q_T_sf%sf(j, k, l) = T_inf + dT + end if + end do + end do + end do + + end subroutine s_apply_ib_thermal_layers + !> Deallocation procedures for the module impure subroutine s_finalize_initial_condition_module diff --git a/src/pre_process/m_mpi_proxy.fpp b/src/pre_process/m_mpi_proxy.fpp index 6753d818c3..138578036d 100644 --- a/src/pre_process/m_mpi_proxy.fpp +++ b/src/pre_process/m_mpi_proxy.fpp @@ -125,7 +125,7 @@ contains call MPI_BCAST(patch_ib(i)%geometry, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr) #:for VAR in [ 'x_centroid', 'y_centroid', 'z_centroid', & - & 'length_x', 'length_y', 'length_z', 'radius', 'Twall', 'v_blow', & + & 'length_x', 'length_y', 'length_z', 'radius', 'Twall', 'thermal_layer', 'v_blow', & & 'burn_rate_exp', 'burn_rate_pref'] call MPI_BCAST(patch_ib(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr) #:endfor diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 6157db87ef..3eb32910c8 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -695,6 +695,7 @@ contains patch_ib(i)%thermal_bc = 0 patch_ib(i)%Twall = 0._wp + patch_ib(i)%thermal_layer = 0._wp patch_ib(i)%surface_reaction = 0 patch_ib(i)%v_blow = 0._wp diff --git a/src/simulation/m_start_up.fpp b/src/simulation/m_start_up.fpp index 4dffe116be..87a3c6b705 100644 --- a/src/simulation/m_start_up.fpp +++ b/src/simulation/m_start_up.fpp @@ -1204,6 +1204,7 @@ 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%thermal_layer = 0._wp ib_patch%surface_reaction = 0 ib_patch%v_blow = 0._wp ib_patch%inj_species = 0 diff --git a/tests/A74B7381/golden-metadata.txt b/tests/A74B7381/golden-metadata.txt new file mode 100644 index 0000000000..b14c05bd05 --- /dev/null +++ b/tests/A74B7381/golden-metadata.txt @@ -0,0 +1,42 @@ +This file was created on 2026-10-06 21:31:56.709504. + +mfc.sh: + + Invocation: test --no-mpi -j 16 --generate -o A74B7381 + Lock: mpi=No & gpu=No & debug=No & reldebug=No & gcov=No & unified=No & single=No & mixed=No & fastmath=No + Git: 93420f9a4e3871bdf7a4bc2cc640d6587e406fe0 on ib-thermal-layer (clean) + +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: 3699.894 + CPU max MHz: 3700.0000 + CPU min MHz: 1500.0000 + BogoMIPS: 7399.79 + 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 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self.get(f"patch_ib({i})%geometry", 0) not in (2, 8), + f"patch_ib({i})%thermal_layer > 0 requires a circle (geometry 2) or sphere (geometry 8)", + ) + 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/params/definitions.py b/toolchain/mfc/params/definitions.py index cf5ff0a7b6..fd20b5f98b 100644 --- a/toolchain/mfc/params/definitions.py +++ b/toolchain/mfc/params/definitions.py @@ -988,7 +988,7 @@ 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), ("thermal_layer", 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) diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index d169be52bc..5d9660e182 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -3850,6 +3850,16 @@ 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. + # The initial conductive layer (patch_ib%thermal_layer) on the same example and mechanism, at the Example grid cap: + # delta = D/2 is ~2 cells there, and 2e-5 s is ~16 steps. + cases.append( + define_case_f( + "2D -> Chemistry -> IBM Reacting Surface -> Thermal Layer", + "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, "patch_ib(1)%thermal_layer": 1.0e-3}, + ) + ) + def direction_symmetry_tests(): """3D tests with shock propagating in x and y directions. diff --git a/toolchain/mfc/test_case_validator.py b/toolchain/mfc/test_case_validator.py index c0170452d9..16a6eaafc8 100644 --- a/toolchain/mfc/test_case_validator.py +++ b/toolchain/mfc/test_case_validator.py @@ -625,6 +625,13 @@ 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_a_thermal_layer_needs_a_prescribed_wall_on_a_circle_or_sphere(self): + hot = {**self.case(thermal_bc=1, Twall=1200.0, thermal_layer=1.0e-3), "chemistry": "T"} + self.assertAccepts(hot) + self.assertRejects({**self.case(thermal_layer=1.0e-3), "chemistry": "T"}, "thermal_layer > 0 requires thermal_bc = 1") + self.assertRejects({**hot, "patch_ib(1)%geometry": 3, "patch_ib(1)%length_x": 0.1, "patch_ib(1)%length_y": 0.1}, "requires a circle (geometry 2) or sphere") + self.assertRejects({**hot, "patch_ib(1)%thermal_layer": -1.0}, "thermal_layer must be >= 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"})