Moving EL bubbles with MPI decomposition

Author: sbryngelson

docs/documentation/case.md

@@ -266,6 +266,16 @@ Setup: Only requires specifying `init_dir` and filename pattern via `zeros_defau
 Implementation: All variables and file handling are managed in `src/common/include/ExtrusionHardcodedIC.fpp` with no manual grid configuration needed.
 Usage: Ideal for initializing simulations from lower-dimensional solutions, enabling users to add perturbations or modifications to the base extruded fields for flow instability studies.
 
+The following parameters support hardcoded initial conditions that read interface data from files:
+
+| Parameter        | Type    | Description                                               |
+| ---:             | :---:   | :---                                                      |
+| `interface_file` | String  | Path to interface geometry data file                      |
+| `normFac`        | Real    | Interface normalization factor                            |
+| `normMag`        | Real    | Interface normal magnitude                                |
+| `g0_ic`          | Real    | Initial gas volume fraction for interfacial IC            |
+| `p0_ic`          | Real    | Initial pressure for interfacial IC                       |
+
 #### Parameter Descriptions
 
 - `num_patches` defines the total number of patches defined in the domain.

examples/2D_moving_lag_bubs/case.py

@@ -0,0 +1,202 @@
+#!/usr/bin/env python3
+import argparse
+import json
+import math
+
+import numpy as np
+
+# Domain extents
+xb = -2
+xe = 2
+yb = -2
+ye = 2
+cw = 0.05  # Characteristic width for 3D bubble cloud
+
+# Reference values for nondimensionalization
+L0 = 1e-3  # length - m (min bubble radius)
+rho0 = 950  # density - kg/m3
+c0 = 1449.0  # speed of sound - m/s
+p0 = rho0 * c0 * c0  # pressure - Pa
+T0 = 298  # temperature - K
+
+# Host properties (water)
+gamma_host = 6.12  # Specific heat ratio
+pi_inf_host = 3.43e8  # Stiffness - Pa
+mu_host = 0.001
+c_host = 1449.0  # speed of sound - m/s
+rho_host = 950  # density kg/m3
+T_host = 298  # temperature K
+
+# Lagrangian bubbles' properties
+R_uni = 8314  # Universal gas constant - J/kmol/K
+MW_g = 28.0  # Molar weight of the gas - kg/kmol
+MW_v = 18.0  # Molar weight of the vapor - kg/kmol
+gamma_g = 1.4  # Specific heat ratio of the gas
+gamma_v = 1.333  # Specific heat ratio of the vapor
+pv = 2350  # Vapor pressure of the host - Pa
+cp_g = 1.0e3  # Specific heat of the gas - J/kg/K
+cp_v = 2.1e3  # Specific heat of the vapor - J/kg/K
+k_g = 0.025  # Thermal conductivity of the gas - W/m/K
+k_v = 0.02  # Thermal conductivity of the vapor - W/m/K
+diffVapor = 2.5e-5  # Diffusivity coefficient of the vapor - m2/s
+sigBubble = 0.020  # Surface tension of the bubble - N/m
+mu_g = 1.48e-5
+rho_g = 1  # density kg/m3
+
+# Nondimmensionalization of domain size
+xb = xb / L0
+xe = xe / L0
+yb = yb / L0
+ye = ye / L0
+cw = cw / L0
+
+# patm = 1.0e05  # Atmospheric pressure - Pa
+patm = 1e5
+g0 = 9.81 / (c0 * c0 / L0)
+
+# Patch prim vars
+rho_host = rho_host / rho0
+rho_g = rho_g / rho0
+pres = patm / p0
+
+# Timing
+tend = 0.004 * c0 / L0
+tsave = tend / 50  # save time - sec
+
+c_host = math.sqrt(gamma_host * (pres + pi_inf_host / p0) / rho_host)
+dx = (xe - xb) / (199 + 1)
+dt = 0.05 * dx / c_host
+
+t_step_stop = int(tend / dt)
+t_step_save = int(t_step_stop / 100)
+
+eps = 1e-8
+
+# Configuration case dictionary
+data = {
+    # Logistics
+    "run_time_info": "T",
+    # Computational Domain
+    "x_domain%beg": xb,
+    "x_domain%end": xe,
+    "y_domain%beg": yb,
+    "y_domain%end": ye,
+    "m": 199,
+    "n": 199,
+    "p": 0,
+    "cyl_coord": "F",
+    "dt": 1,
+    "t_step_start": 0,
+    "t_step_stop": 6000,
+    "t_step_save": 60,
+    "adap_dt": "T",
+    "adap_dt_max_iters": 1000,
+    # Simulation Algorithm
+    "model_eqns": 2,
+    "alt_soundspeed": "F",
+    "mixture_err": "F",
+    "mpp_lim": "T",
+    "time_stepper": 3,
+    "weno_order": 5,
+    "mapped_weno": "T",
+    "mp_weno": "T",
+    "avg_state": 2,
+    "weno_eps": 1e-16,
+    "riemann_solver": 2,
+    "wave_speeds": 1,
+    "bc_x%beg": -1,
+    "bc_x%end": -1,
+    "bc_y%beg": -1,
+    "bc_y%end": -1,
+    "num_patches": 2,
+    "num_fluids": 2,
+    # Database Structure Parameters
+    "format": 1,
+    "precision": 2,
+    "prim_vars_wrt": "T",
+    "parallel_io": "T",
+    "lag_db_wrt": "T",
+    "lag_pres_wrt": "T",
+    # Fluid Parameters Host
+    "fluid_pp(1)%gamma": 1.0 / (gamma_host - 1.0),
+    "fluid_pp(1)%pi_inf": gamma_host * (pi_inf_host / p0) / (gamma_host - 1.0),
+    # Fluid Parameters Gas
+    "fluid_pp(2)%gamma": 1.0 / (gamma_g - 1.0),
+    "fluid_pp(2)%pi_inf": 0.0e00,
+    # Bubble parameters
+    "bub_pp%R0ref": 1.0,
+    "bub_pp%p0ref": 1.0,
+    "bub_pp%rho0ref": 1.0,
+    "bub_pp%T0ref": 1.0,
+    "bub_pp%ss": sigBubble / (rho0 * L0 * c0 * c0),
+    "bub_pp%pv": pv / p0,
+    "bub_pp%vd": diffVapor / (L0 * c0),
+    "bub_pp%mu_l": mu_host / (rho0 * L0 * c0),
+    "bub_pp%gam_v": gamma_v,
+    "bub_pp%gam_g": gamma_g,
+    "bub_pp%M_v": MW_v,
+    "bub_pp%M_g": MW_g,
+    "bub_pp%k_v": k_v * (T0 / (L0 * rho0 * c0 * c0 * c0)),
+    "bub_pp%k_g": k_g * (T0 / (L0 * rho0 * c0 * c0 * c0)),
+    "bub_pp%cp_v": cp_v * (T0 / (c0 * c0)),
+    "bub_pp%cp_g": cp_g * (T0 / (c0 * c0)),
+    "bub_pp%R_v": (R_uni / MW_v) * (T0 / (c0 * c0)),
+    "bub_pp%R_g": (R_uni / MW_g) * (T0 / (c0 * c0)),
+    # Viscosity
+    "viscous": "T",
+    "fluid_pp(1)%Re(1)": 1.0 / (mu_host / (rho0 * c0 * L0)),
+    "fluid_pp(2)%Re(1)": 1.0 / (mu_g / (rho0 * c0 * L0)),
+    # Patch for background flow
+    "patch_icpp(1)%geometry": 3,
+    "patch_icpp(1)%x_centroid": (xb + xe) / 2,
+    "patch_icpp(1)%y_centroid": (yb + ye) / 2,
+    "patch_icpp(1)%length_x": (xe - xb),
+    "patch_icpp(1)%length_y": (ye - yb),
+    "patch_icpp(1)%vel(1)": 0,
+    "patch_icpp(1)%vel(2)": 0,
+    "patch_icpp(1)%pres": pres,
+    "patch_icpp(1)%alpha_rho(1)": (1 - eps) * rho_host,
+    "patch_icpp(1)%alpha_rho(2)": eps * rho_g,
+    "patch_icpp(1)%alpha(1)": 1 - eps,
+    "patch_icpp(1)%alpha(2)": eps,
+    # High pressure
+    "patch_icpp(2)%geometry": 2,
+    "patch_icpp(2)%alter_patch(1)": "T",
+    "patch_icpp(2)%smoothen": "T",
+    "patch_icpp(2)%smooth_patch_id": 1,
+    "patch_icpp(2)%smooth_coeff": 0.5,
+    "patch_icpp(2)%x_centroid": 0,
+    "patch_icpp(2)%y_centroid": 0,
+    "patch_icpp(2)%radius": 0.2 / L0,
+    "patch_icpp(2)%vel(1)": 0,
+    "patch_icpp(2)%vel(2)": 0,
+    "patch_icpp(2)%pres": 10 * pres,
+    "patch_icpp(2)%alpha_rho(1)": (1 - eps) * rho_host,
+    "patch_icpp(2)%alpha_rho(2)": eps * rho_g,
+    "patch_icpp(2)%alpha(1)": 1 - eps,
+    "patch_icpp(2)%alpha(2)": eps,
+    # Lagrangian Bubbles
+    "bubbles_lagrange": "T",
+    "fd_order": 4,
+    "bubble_model": 2,  # (0) Particle (2) KM (3) RP
+    "thermal": 3,
+    "polytropic": "F",
+    "lag_params%nBubs_glb": 5000,  # Max number of bubbles
+    "lag_params%vel_model": 2,
+    "lag_params%drag_model": 1,
+    "lag_params%solver_approach": 2,
+    "lag_params%cluster_type": 2,
+    "lag_params%pressure_corrector": "F",
+    "lag_params%smooth_type": 1,
+    "lag_params%epsilonb": 1.0,
+    "lag_params%valmaxvoid": 0.9,
+    "lag_params%write_bubbles": "T",
+    "lag_params%write_bubbles_stats": "T",
+    "lag_params%write_void_evol": "T",
+    "lag_params%charwidth": cw,
+    "lag_params%charNz": 10,
+}
+
+mods = {}
+
+print(json.dumps({**data, **mods}, indent=4))

examples/3D_lagrange_shbubcollapse/case.py

@@ -155,6 +155,7 @@
             "lag_params%valmaxvoid": 0.9,
             "lag_params%write_bubbles": "F",
             "lag_params%write_bubbles_stats": "F",
+            "lag_params%write_void_evol": "T",
             # Bubble parameters
             "bub_pp%R0ref": 1.0,
             "bub_pp%p0ref": 1.0,