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(Atomic) Boundary Condition Patches
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‎.github/workflows/frontier/build.sh

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#!/bin/bash
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. ./mfc.sh load -c f -m g
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./mfc.sh build -j 8 --gpu
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./mfc.sh test --dry-run -j 8 --gpu

‎.github/workflows/phoenix/test.sh

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build_opts="--gpu"
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fi
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./mfc.sh build -j 8 $build_opts
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./mfc.sh test --dry-run -j 8 $build_opts
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n_test_threads=8
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‎.github/workflows/test.yml

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- name: Build
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run: |
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if [ '${{ matrix.intel }}' == 'true' ]; then . /opt/intel/oneapi/setvars.sh; fi
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/bin/bash mfc.sh build -j $(nproc) --${{ matrix.debug }} --${{ matrix.mpi }}
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/bin/bash mfc.sh test --dry-run -j $(nproc) --${{ matrix.debug }} --${{ matrix.mpi }}
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- name: Test
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run: |

‎CMakeLists.txt

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@@ -335,7 +335,7 @@ macro(HANDLE_SOURCES target useCommon)
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add_custom_command(
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OUTPUT ${f90}
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COMMAND ${FYPP_EXE} -m re
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COMMAND ${FYPP_EXE} -m re -m itertools
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-I "${CMAKE_BINARY_DIR}/include/${target}"
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-I "${${target}_DIR}/include"
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-I "${common_DIR}/include"

‎docs/documentation/case.md

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@@ -349,8 +349,8 @@ Details of implementation of viscosity in MFC can be found in [Coralic (2015)](r
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| Parameter | Type | Description |
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| ---: | :----: | :--- |
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| `bc_[x,y,z]%%beg[end]` | Integer | Beginning [ending] boundary condition in the $[x,y,z]$-direction (negative integer, see table [Boundary Conditions](#boundary-conditions)) |
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| `bc_[x,y,z]%%vb[1,2,3]`‡| Real | Velocity in the (x,1), (y, 2), (z,3) direction applied to `bc_[x,y,z]%%beg` |
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| `bc_[x,y,z]%%ve[1,2,3]`‡| Real | Velocity in the (x,1), (y, 2), (z,3) direction applied to `bc_[x,y,z]%%end` |
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| `bc_[x,y,z]%%vel_beg[1,2,3]`‡| Real | Velocity in the (x,1), (y, 2), (z,3) direction applied to `bc_[x,y,z]%%beg` |
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| `bc_[x,y,z]%%vel_end[1,2,3]`‡| Real | Velocity in the (x,1), (y, 2), (z,3) direction applied to `bc_[x,y,z]%%end` |
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| `model_eqns` | Integer | Multicomponent model: [1] $\Gamma/\Pi_\infty$; [2] 5-equation; [3] 6-equation; [4] 4-equation |
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| `alt_soundspeed` * | Logical | Alternate sound speed and $K \nabla \cdot u$ for 5-equation model |
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| `adv_n` | Logical | Solving directly for the number density (in the method of classes) and compute void fraction from the number density |
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To newly start the simulation, set `t_step_start = 0`.
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To restart the simulation from $k$-th time step, set `t_step_start = k`; see [Restarting Cases](running.md#restarting-cases).
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##### Adaptive Time-Stepping
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##### Adaptive Time-Stepping (optional)
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- `cfl_adap_dt` enables adaptive time stepping with a constant CFL when true
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To newly start the simulation, set `n_start = 0`.
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To restart the simulation from $k$-th time step, see [Restarting Cases](running.md#restarting-cases).
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##### Boundary Condition Patches (optional and experimental)
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> [!WARNING]
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> This feature is currently experimental and may not produce physicall correct
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> results when certain other features are turned on.
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Boundary condition patches allow you to define boundary conditions with more granularity
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than `bc_[x,y,z]`. When using this feature, any point along the edge of the domain can
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be assigned its own boundary condition type. Since the boundaries of a 3D domain are
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2D surfaces, the concept of patches is re-introduced.
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Boundary conditions are applied using the [Painter's algorithm](https://en.wikipedia.org/wiki/Painter%27s_algorithm)
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where patches with higher indices take priority, in layers. The lowest priority is given
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to `bc_[x,y,z]`. This feature is opt-in and enabled by assigning `num_bc_patches` to a
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positive value.
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| Parameter | Type | Description |
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| ---: | :----: | :--- |
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| `num_bc_patches` | Integer | Number of boundary condition patches (default 0) |
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| `%%type` * | Integer | Boundary condition type (negative integer, see table [Boundary Conditions](#boundary-conditions)) |
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| `%%dir` * | Integer | About the [1] x; [2] y; [3] z; axis |
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| `%%loc` * | Integer | About the line or surface at the [-1] beginning; [+2] end; of the `%%dir` axis. |
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| `%%geometry` * | Integer | The geometry of the boundary condition patch. See table [Boundary Condition Patch Geometry Types](#boundary-condition-patch-geometry-types) |
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| `%%vel(i)` * | Real | Meaning depends on the boundary condition |
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| `%%centroid(i)` * | Real | Meaning depends on the patch geometry. Index $i = \text{dir}$ is always ignored |
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| `%%length(i)` * | Real | Meaning depends on the patch geometry. Index $i = \text{dir}$ is always ignored |
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| `%%radius` * | Real | Meaning depends on the patch geometry. Index $i = \text{dir}$ is always ignored |
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*: These parameters should be prepended with `patch_bc(j)%` where $j$ is the boundary condition patch index.
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### 7. Formatted Output
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| Parameter | Type | Description |
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The patch type number (`#`) corresponds to the input value in `input.py` labeled `patch_icpp(j)%%geometry` where $j$ is the patch index.
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Each patch requires a different set of parameters, which are also listed in this table.
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### Boundary Condition Patch Geometry Types
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| # | Name | Dim. | Requirements |
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| ---: | :----: | :--- | :--- |
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| 1 | Cuboid | 1 & 2 | `%%centroid(1:3)` and `%%length(1:3)` |
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| 2 | Spheroid | 1 & 2 | `%%centroid(1:3)` and `%%radius` |
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### Immersed Boundary Patch Types
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| # | Name | Dim. |

‎examples/1D_inert_shocktube/export.py

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import csv
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import numpy as np
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import statistics
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from tqdm import tqdm
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import mfc.viz
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from case import dt, sol_L as sol
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case = mfc.viz.Case(".", dt)
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for name in tqdm(sol.species_names, desc="Loading Variables"):
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case.load_variable(f"Y_{name}", f"prim.{5 + sol.species_index(name)}")
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case.load_variable("rho", "prim.1")
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case.load_variable("u", "prim.2")
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case.load_variable("p", "prim.3")
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case.load_variable("T", "prim.15")
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steps = case.get_timesteps()
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for step in [min(steps), max(steps)]:
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t = step * dt
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with open(f"mfc-{step}.csv", "w") as f:
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writer = csv.writer(f)
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keys = ['x'] + list(set(case.get_data()[0].keys()) - set(["x"]))
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writer.writerow(keys)
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for ix, x in enumerate(sorted(case.get_coords()[0])):
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row = [case.get_data()[step][key][ix] for key in keys]
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writer.writerow(row)

‎examples/1D_reactive_shocktube/export.py

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import csv
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import numpy as np
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import statistics
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from tqdm import tqdm
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import mfc.viz
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from case import dt, sol_L as sol
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case = mfc.viz.Case(".", dt)
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for name in tqdm(sol.species_names, desc="Loading Variables"):
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case.load_variable(f"Y_{name}", f"prim.{5 + sol.species_index(name)}")
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case.load_variable("rho", "prim.1")
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case.load_variable("u", "prim.2")
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case.load_variable("p", "prim.3")
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case.load_variable("T", "prim.15")
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steps = case.get_timesteps()
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for step in [min(steps), max(steps)]:
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t = step * dt
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with open(f"mfc-{step}.csv", "w") as f:
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writer = csv.writer(f)
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keys = ['x'] + list(set(case.get_data()[0].keys()) - set(["x"]))
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writer.writerow(keys)
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for ix, x in enumerate(sorted(case.get_coords()[0])):
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row = [case.get_data()[step][key][ix] for key in keys]
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writer.writerow(row)

‎examples/hypotests/case.py

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#!/usr/bin/env python3
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import math
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import json
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# Numerical setup
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Nx = 201 # Number of grid points in x
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Ny = 201 # Number of grid points in y
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dx = 1./(1.*(Nx+1)) # Grid spacing in x
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dy = 1./(1.*(Ny+1)) # Grid spacing in y
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Tend = 64E-06 # End time
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Nt = 2000 # 2000 # Number of time steps
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mydt = Tend/(1.*Nt) # Time step size
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# Configuring case dictionary
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print(json.dumps({
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# Logistics ================================================
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'run_time_info' : 'F',
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# ==========================================================
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# Computational Domain Parameters ==========================
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'x_domain%beg' : 0.E+00, # x start
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'x_domain%end' : 2.E+00, # x end
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'y_domain%beg' : 0.E+00, # y start
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'y_domain%end' : 1.E+00, # y end
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'm' : Nx, # Number of grid points in x direction
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'n' : Ny, # Number of grid points in y direction
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'p' : 0, # Number of grid points in z (for 3D, change this)
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'dt' : 1e-6, # Time step size
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't_step_start' : 0, # Start time
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't_step_stop' : Nt, # End time
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't_step_save' : 500, # Save frequency
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# ==========================================================
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# Simulation Algorithm Parameters ==========================
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'num_patches' : 1, # Two patches
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'model_eqns' : 2, # Number of model equations
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'alt_soundspeed' : 'F',
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'num_fluids' : 2,
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'low_Mach' : 0,
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'mpp_lim' : 'F',
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# ' mixture_err' : 'F',
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'time_stepper' : 3,
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'weno_order' : 5,
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'weno_eps' : 1.E-16,
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'weno_Re_flux' : 'F',
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'weno_avg' : 'F',
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'mapped_weno' : 'F',
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'null_weights' : 'F',
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'mp_weno' : 'F',
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'riemann_solver' : 1,
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'wave_speeds' : 1,
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'avg_state' : 2,
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'bc_x%beg' : -3,
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'bc_x%end' : -3,
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'bc_y%beg' : -3, # Boundary conditions for y direction
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'bc_y%end' : -3,
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'num_bc_patches' : 1,
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'patch_bc(1)%type' : -17,
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'patch_bc(1)%dir' : 1,
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'patch_bc(1)%loc' : -1,
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'patch_bc(1)%geometry' : 1,
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'patch_bc(1)%centroid(1)' : 0,
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'patch_bc(1)%centroid(2)' : 0.5,
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'patch_bc(1)%length(2)' : 0.26,
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'patch_bc(1)%vel(1)' : 10,
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'patch_bc(1)%vel(2)' : 0,
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# ==========================================================
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# Turning on IB ================================
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'ib' : 'T',
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'num_ibs' : 2,
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# ==========================================================
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# Formatted Database Files Structure Parameters ============
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'format' : 1,
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'precision' : 2,
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'prim_vars_wrt' :'T',
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'parallel_io' :'T',
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# ==========================================================
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# Patch 1 (background flow) ===================
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'patch_icpp(1)%geometry' : 3, # 2D geometry
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'patch_icpp(1)%x_centroid' : 1.0, # x-center
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'patch_icpp(1)%y_centroid' : 0.5, # y-center
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'patch_icpp(1)%length_x' : 2.0, # x-length
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'patch_icpp(1)%length_y' : 1.0, # y-length
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'patch_icpp(1)%vel(1)' : 0.0,
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'patch_icpp(1)%vel(2)' : 0.0, # y-velocity '100*sin(3*x*pi)'
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'patch_icpp(1)%pres' : 1.E5, # Pressure
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'patch_icpp(1)%alpha_rho(1)' : 1000, # Density
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'patch_icpp(1)%alpha_rho(2)' : 0.,
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'patch_icpp(1)%alpha(1)' : 1,
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'patch_icpp(1)%alpha(2)' : 0.,
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'patch_icpp(1)%tau_e(1)' : 0.0,
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# ==========================================================
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# Patch 2 (hypo material in the center) ================
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'patch_ib(1)%geometry' : 3, # 2D geometry
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# 'patch_ib(1)%hcid' : 201,
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'patch_ib(1)%x_centroid' : 0.5, # x-center
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'patch_ib(1)%y_centroid' : 0.65, # y-center
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'patch_ib(1)%length_x' : 1.0, # x-length
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'patch_ib(1)%length_y' : 0.04, # y-length
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'patch_ib(1)%slip' : 'T',
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# ==========================================================
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# Patch 3 (hypo material in the center) ================
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'patch_ib(2)%geometry' : 3, # 2D geometry
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# 'patch_ib(1)%hcid' : 201,
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'patch_ib(2)%x_centroid' : 0.5, # x-center
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'patch_ib(2)%y_centroid' : 0.35, # y-center
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'patch_ib(2)%length_x' : 1.0, # x-length
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'patch_ib(2)%length_y' : 0.04, # y-length
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'patch_ib(2)%slip' : 'T',
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# Fluids Physical Parameters ===============================
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'fluid_pp(1)%gamma' : 1.E+00/(6.12E+00-1.E+00),
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'fluid_pp(1)%pi_inf' : 6.12E+00*3.43E+08/(6.12E+00 - 1.E+00),
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# 'fluid_pp(1)%G' : 0,
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'fluid_pp(2)%gamma' : 1.E+00/(1.3E+00-1.E+00),
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'fluid_pp(2)%pi_inf' : 1.3E+00*2.E+08/(1.3E+00 - 1.E+00),
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# 'fluid_pp(2)%G' : 2.7E+05/(2.E+00*(1.E+00 + 0.4E+00)),
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'fluid_pp(2)%G' : 1.E7,
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# ==========================================================
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}))

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