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Merged
sbryngelson merged 6 commits into from
Nov 27, 2025
Merged

reduce redundancy in bubbles #1062

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96f7006
reduce redundancy
Nov 25, 2025
84591df
format
Nov 25, 2025
74c2257
Merge branch 'master' into bubnorm
hyeoksu-lee Nov 25, 2025
32cd56f
make it lower case
Nov 25, 2025
e39f0fd
fix shebang
Nov 25, 2025
6e3e4b1
update docs
Nov 26, 2025
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2 changes: 1 addition & 1 deletion docs/documentation/case.md
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Expand Up @@ -745,6 +745,7 @@ Details of the transducer acoustic source model can be found in [Maeda and Colon
| `mu_v` † | Real | Viscosity |
| `k_v` † | Real | Thermal conductivity |
| `cp_v` † | Real | Specific heat capacity |
| `D_v` † | Real | Vapor diffusivity in the gas |

These options work only for gas-liquid two-component flows.
Component indexes are required to be 1 for liquid and 2 for gas.
Expand Down Expand Up @@ -836,7 +837,6 @@ When ``polytropic = 'F'``, the gas compression is modeled as non-polytropic due
| `T0` | Real | Reference temperature |
| `x0` | Real | Reference length |
| `Thost` | Real | Temperature of the surrounding liquid (host) |
| `diffcoefvap` | Real | Vapor diffusivity in the gas |

- `nBubs_glb` Total number of bubbles. Their initial conditions need to be specified in the ./input/lag_bubbles.dat file. See the example cases for additional information.

Expand Down
2 changes: 2 additions & 0 deletions examples/1D_qbmm/case.py
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Expand Up @@ -25,6 +25,7 @@
M_n = 28.97
mu_n = 1.8e-05
k_n = 0.02556
D = 0.242e-4

# air props
# gamma_gas = gamma_n
Expand Down Expand Up @@ -163,6 +164,7 @@
"fluid_pp(2)%M_v": M_n,
"fluid_pp(2)%mu_v": mu_n,
"fluid_pp(2)%k_v": k_n,
"fluid_pp(2)%D_v": D,
# Non-polytropic gas compression model AND/OR Tait EOS
"pref": p0,
"rhoref": rho0,
Expand Down
2 changes: 1 addition & 1 deletion examples/3D_lagrange_bubblescreen/case.py
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Expand Up @@ -155,7 +155,6 @@
"lag_params%rho0": rho0,
"lag_params%T0": T0,
"lag_params%x0": x0,
"lag_params%diffcoefvap": diffVapor,
"lag_params%Thost": T_host,
# Fluids Physical Parameters
# Host medium
Expand All @@ -177,6 +176,7 @@
"fluid_pp(2)%M_v": MW_g,
"fluid_pp(2)%k_v": k_g,
"fluid_pp(2)%cp_v": cp_g,
"fluid_pp(2)%D_v": diffVapor,
}
)
)
2 changes: 1 addition & 1 deletion examples/3D_lagrange_shbubcollapse/case.py
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Expand Up @@ -157,7 +157,6 @@
"lag_params%rho0": rho0,
"lag_params%T0": T0,
"lag_params%x0": x0,
"lag_params%diffcoefvap": diffVapor,
"lag_params%Thost": T_host,
# Fluids Physical Parameters
# Host medium
Expand All @@ -179,6 +178,7 @@
"fluid_pp(2)%M_v": MW_g,
"fluid_pp(2)%k_v": k_g,
"fluid_pp(2)%cp_v": cp_g,
"fluid_pp(2)%D_v": diffVapor,
}
)
)
3 changes: 2 additions & 1 deletion src/common/m_derived_types.fpp
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Expand Up @@ -357,6 +357,8 @@ module m_derived_types
real(wp) :: k_v !< Bubble constants (see Preston (2007), Ando (2010))
real(wp) :: cp_v
real(wp) :: G
real(wp) :: D_v !< Vapor diffusivity in the gas

end type physical_parameters

type mpi_io_airfoil_ib_var
Expand Down Expand Up @@ -459,7 +461,6 @@ module m_derived_types
real(wp) :: rho0 !< Reference density
real(wp) :: T0, Thost !< Reference temperature and host temperature
real(wp) :: x0 !< Reference length
real(wp) :: diffcoefvap !< Vapor diffusivity in the gas

end type bubbles_lagrange_parameters

Expand Down
9 changes: 3 additions & 6 deletions src/common/m_helper.fpp
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Expand Up @@ -116,9 +116,6 @@ contains
real(wp), parameter :: k_poly = 1._wp !<
!! polytropic index used to compute isothermal natural frequency

real(wp), parameter :: Ru = 8314._wp !<
!! universal gas constant

rhol0 = rhoref
pl0 = pref
#ifdef MFC_SIMULATION
Expand Down Expand Up @@ -154,15 +151,15 @@ contains
if (thermal == 2) gamma_m = 1._wp

temp = 293.15_wp
D_m = 0.242e-4_wp
D_m = fluid_pp(2)%D_v
uu = sqrt(pl0/rhol0)

omega_ref = 3._wp*k_poly*Ca + 2._wp*(3._wp*k_poly - 1._wp)/Web

!!! thermal properties !!!
! gas constants
R_n = Ru/M_n
R_v = Ru/M_v
R_n = R_uni/M_n
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@cubic-dev-ai cubic-dev-ai bot Nov 25, 2025 •
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R_uni is referenced without being imported into m_helper, so the code no longer compiles after removing the local Ru constant.

Prompt for AI agents 
Check if this issue is valid — if so, understand the root cause and fix it. At src/common/m_helper.fpp, line 161:

<comment>`R_uni` is referenced without being imported into `m_helper`, so the code no longer compiles after removing the local `Ru` constant.</comment>

<file context>
@@ -154,15 +151,15 @@ contains
         ! gas constants
-        R_n = Ru/M_n
-        R_v = Ru/M_v
+        R_n = R_uni/M_n
+        R_v = R_uni/M_v
         ! phi_vn &amp; phi_nv (phi_nn = phi_vv = 1)
</file context>
Fix with Cubic

R_v = R_uni/M_v
! phi_vn & phi_nv (phi_nn = phi_vv = 1)
phi_vn = (1._wp + sqrt(mu_v/mu_n)*(M_n/M_v)**(0.25_wp))**2 &
/(sqrt(8._wp)*sqrt(1._wp + M_v/M_n))
Expand Down
1 change: 1 addition & 0 deletions src/post_process/m_global_parameters.fpp
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Expand Up @@ -423,6 +423,7 @@ contains
fluid_pp(i)%qv = 0._wp
fluid_pp(i)%qvp = 0._wp
fluid_pp(i)%G = dflt_real
fluid_pp(i)%D_v = dflt_real
end do

! Formatted database file(s) structure parameters
Expand Down
1 change: 1 addition & 0 deletions src/post_process/m_mpi_proxy.fpp
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Expand Up @@ -133,6 +133,7 @@ contains
call MPI_BCAST(fluid_pp(i)%qv, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
call MPI_BCAST(fluid_pp(i)%qvp, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
call MPI_BCAST(fluid_pp(i)%G, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
call MPI_BCAST(fluid_pp(i)%D_v, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
end do
#:for VAR in [ 'pref', 'rhoref', 'R0ref', 'poly_sigma', 'Web', 'Ca', &
Expand Down
1 change: 1 addition & 0 deletions src/pre_process/m_global_parameters.fpp
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Expand Up @@ -584,6 +584,7 @@ contains
fluid_pp(i)%qv = 0._wp
fluid_pp(i)%qvp = 0._wp
fluid_pp(i)%G = 0._wp
fluid_pp(i)%D_v = dflt_real
end do

Bx0 = dflt_real
Expand Down
4 changes: 2 additions & 2 deletions src/pre_process/m_mpi_proxy.fpp
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Expand Up @@ -144,15 +144,15 @@ contains
! Fluids physical parameters
do i = 1, num_fluids_max
#:for VAR in [ 'gamma','pi_inf','mul0','ss','pv','gamma_v','M_v', &
& 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp' ]
& 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp', 'D_v' ]
call MPI_BCAST(fluid_pp(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
#:endfor
end do

! Simplex noise and fluid physical parameters
do i = 1, num_fluids_max
#:for VAR in [ 'gamma','pi_inf','mul0','ss','pv','gamma_v','M_v', &
& 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp' ]
& 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp', 'D_v' ]
call MPI_BCAST(fluid_pp(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
#:endfor

Expand Down
6 changes: 3 additions & 3 deletions src/simulation/m_bubbles_EL.fpp
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Expand Up @@ -178,7 +178,7 @@ contains
cp_n = fluid_pp(id_host)%cp_v*(T0/(c0*c0))
R_v = (R_uni/fluid_pp(id_bubbles)%M_v)*(T0/(c0*c0))
R_n = (R_uni/fluid_pp(id_host)%M_v)*(T0/(c0*c0))
lag_params%diffcoefvap = lag_params%diffcoefvap/(x0*c0)
fluid_pp(id_bubbles)%D_v = fluid_pp(id_bubbles)%D_v/(x0*c0)
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@cubic-dev-ai cubic-dev-ai bot Nov 25, 2025 •
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Existing cases still provide the diffusion coefficient via lag_params%diffcoefvap, so fluid_pp(num_fluids)%D_v stays at its default sentinel and PeG now divides by an unset value. Add a fallback that populates fluid_pp% D_v from lag_params when it has not been provided to avoid dividing by zero for current inputs.

Prompt for AI agents 
Check if this issue is valid — if so, understand the root cause and fix it. At src/simulation/m_bubbles_EL.fpp, line 181:

<comment>Existing cases still provide the diffusion coefficient via `lag_params%diffcoefvap`, so `fluid_pp(num_fluids)%D_v` stays at its default sentinel and `PeG` now divides by an unset value. Add a fallback that populates `fluid_pp% D_v` from `lag_params` when it has not been provided to avoid dividing by zero for current inputs.</comment>

<file context>
@@ -178,7 +178,7 @@ contains
         R_v = (R_uni/fluid_pp(id_bubbles)%M_v)*(T0/(c0*c0))
         R_n = (R_uni/fluid_pp(id_host)%M_v)*(T0/(c0*c0))
-        lag_params%diffcoefvap = lag_params%diffcoefvap/(x0*c0)
+        fluid_pp(id_bubbles)%D_v = fluid_pp(id_bubbles)%D_v/(x0*c0)
         ss = fluid_pp(id_host)%ss/(rho0*x0*c0*c0)
         mul0 = fluid_pp(id_host)%mul0/(rho0*x0*c0)
</file context>
Fix with Cubic

ss = fluid_pp(id_host)%ss/(rho0*x0*c0*c0)
mul0 = fluid_pp(id_host)%mul0/(rho0*x0*c0)

Expand Down Expand Up @@ -386,9 +386,9 @@ contains
call s_transcoeff(1._wp, PeT, Re_trans, Im_trans)
gas_betaT(bub_id) = Re_trans*(heatflag)*kparticle

PeG = bub_R0(bub_id)**2._wp*omegaN_local/lag_params%diffcoefvap
PeG = bub_R0(bub_id)**2._wp*omegaN_local/fluid_pp(num_fluids)%D_v
call s_transcoeff(1._wp, PeG, Re_trans, Im_trans)
gas_betaC(bub_id) = Re_trans*(massflag)*lag_params%diffcoefvap
gas_betaC(bub_id) = Re_trans*(massflag)*fluid_pp(num_fluids)%D_v

if (gas_mg(bub_id) <= 0._wp) then
call s_mpi_abort("Negative gas mass in the bubble, check if the bubble is in the domain.")
Expand Down
2 changes: 1 addition & 1 deletion src/simulation/m_global_parameters.fpp
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Expand Up @@ -682,6 +682,7 @@ contains
fluid_pp(i)%k_v = dflt_real
fluid_pp(i)%cp_v = dflt_real
fluid_pp(i)%G = 0._wp
fluid_pp(i)%D_v = dflt_real
end do
! Tait EOS
Expand Down Expand Up @@ -819,7 +820,6 @@ contains
lag_params%T0 = dflt_real
lag_params%Thost = dflt_real
lag_params%x0 = dflt_real
lag_params%diffcoefvap = dflt_real
! Continuum damage model
tau_star = dflt_real
Expand Down
4 changes: 2 additions & 2 deletions src/simulation/m_mpi_proxy.fpp
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Expand Up @@ -140,7 +140,7 @@ contains
call MPI_BCAST(lag_params%${VAR}$, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
#:endfor

#:for VAR in [ 'c0', 'rho0', 'T0', 'x0', 'diffcoefvap', 'epsilonb','charwidth', &
#:for VAR in [ 'c0', 'rho0', 'T0', 'x0', 'epsilonb','charwidth', &
& 'valmaxvoid', 'Thost']
call MPI_BCAST(lag_params%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
#:endfor
Expand Down Expand Up @@ -189,7 +189,7 @@ contains

do i = 1, num_fluids_max
#:for VAR in [ 'gamma','pi_inf','mul0','ss','pv','gamma_v','M_v', &
& 'mu_v','k_v', 'cp_v','G', 'cv', 'qv', 'qvp' ]
& 'mu_v','k_v', 'cp_v','G', 'cv', 'qv', 'qvp', 'D_v' ]
call MPI_BCAST(fluid_pp(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
#:endfor
call MPI_BCAST(fluid_pp(i)%Re(1), 2, mpi_p, 0, MPI_COMM_WORLD, ierr)
Expand Down
8 changes: 4 additions & 4 deletions toolchain/mfc/run/case_dicts.py
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Expand Up @@ -151,7 +151,7 @@ def analytic(self):
PRE_PROCESS[f'fluid_rho({f_id})'] = ParamType.REAL

for real_attr in ["gamma", "pi_inf", "mul0", "ss", "pv", "gamma_v", "M_v",
"mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp" ]:
"mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp", "D_v" ]:
PRE_PROCESS[f"fluid_pp({f_id})%{real_attr}"] = ParamType.REAL

PRE_PROCESS[f"simplex_params%perturb_dens({f_id})"] = ParamType.LOG
Expand Down Expand Up @@ -349,7 +349,7 @@ def analytic(self):
for var in [ 'solver_approach', 'cluster_type', 'smooth_type', 'nBubs_glb']:
SIMULATION[f'lag_params%{var}'] = ParamType.INT

for var in [ 'epsilonb', 'valmaxvoid', 'charwidth', 'diffcoefvap',
for var in [ 'epsilonb', 'valmaxvoid', 'charwidth',
'c0', 'rho0', 'T0', 'x0', 'Thost' ]:
SIMULATION[f'lag_params%{var}'] = ParamType.REAL

Expand Down Expand Up @@ -414,7 +414,7 @@ def analytic(self):

for f_id in range(1,10+1):
for real_attr in ["gamma", "pi_inf", "mul0", "ss", "pv", "gamma_v", "M_v",
"mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp" ]:
"mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp", 'D_v' ]:
SIMULATION[f"fluid_pp({f_id})%{real_attr}"] = ParamType.REAL

for re_id in [1, 2]:
Expand Down Expand Up @@ -534,7 +534,7 @@ def analytic(self):
POST_PROCESS[f'{append}({fl_id})'] = ty

for real_attr in ["gamma", "pi_inf", "ss", "pv", "gamma_v", "M_v", "mu_v", "k_v", "cp_v",
"G", "mul0", "cv", "qv", "qvp" ]:
"G", "mul0", "cv", "qv", "qvp", "D_v" ]:
POST_PROCESS[f"fluid_pp({fl_id})%{real_attr}"] = ParamType.REAL

IGNORE = ["cantera_file", "chemistry"]
Expand Down
1 change: 0 additions & 1 deletion toolchain/mfc/test/case.py
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Expand Up @@ -105,7 +105,6 @@
'lag_params%rho0' : 1000.,
'lag_params%T0' : 298.,
'lag_params%x0' : 1.,
'lag_params%diffcoefvap' : 2.5e-5,
'lag_params%Thost' : 298.,
}

Expand Down
8 changes: 5 additions & 3 deletions toolchain/mfc/test/cases.py
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Expand Up @@ -518,8 +518,9 @@ def alter_bubbles(dimInfo):
'fluid_pp(1)%ss' : 0.07275,'fluid_pp(1)%pv' : 2338.8,'fluid_pp(1)%gamma_v' : 1.33,
'fluid_pp(1)%M_v' : 18.02,'fluid_pp(1)%mu_v' : 8.816e-06,'fluid_pp(1)%k_v' : 0.019426,
'fluid_pp(2)%gamma_v' : 1.4,'fluid_pp(2)%M_v' : 28.97,'fluid_pp(2)%mu_v' : 1.8e-05,
'fluid_pp(2)%k_v' : 0.02556, 'patch_icpp(1)%alpha_rho(1)': 0.96, 'patch_icpp(1)%alpha(1)':
4e-02, 'patch_icpp(2)%alpha_rho(1)': 0.96, 'patch_icpp(2)%alpha(1)': 4e-02, 'patch_icpp(3)%alpha_rho(1)': 0.96,
'fluid_pp(2)%k_v' : 0.02556, 'fluid_pp(2)%D_v' : 0.242e-4,
'patch_icpp(1)%alpha_rho(1)': 0.96, 'patch_icpp(1)%alpha(1)': 4e-02,
'patch_icpp(2)%alpha_rho(1)': 0.96, 'patch_icpp(2)%alpha(1)': 4e-02, 'patch_icpp(3)%alpha_rho(1)': 0.96,
'patch_icpp(3)%alpha(1)': 4e-02, 'patch_icpp(1)%pres': 1.0, 'patch_icpp(2)%pres': 1.0,
'patch_icpp(3)%pres': 1.0, 'acoustic(1)%support': 1, 'acoustic(1)%wavelength': 0.25
})
Expand Down Expand Up @@ -846,7 +847,8 @@ def alter_lag_bubbles(dimInfo):
'fluid_pp(1)%pv' : 2338.8,'fluid_pp(1)%gamma_v' : 1.33, 'fluid_pp(1)%M_v' : 18.02,
'fluid_pp(1)%mu_v' : 8.816e-06,'fluid_pp(1)%k_v' : 0.019426, 'fluid_pp(1)%cp_v' : 2.1e3,
'fluid_pp(2)%gamma_v' : 1.4,'fluid_pp(2)%M_v' : 28.97, 'fluid_pp(2)%mu_v' : 1.8e-05,
'fluid_pp(2)%k_v' : 0.02556, 'fluid_pp(2)%cp_v' : 1.e3, 'patch_icpp(1)%alpha_rho(1)': 0.96,
'fluid_pp(2)%k_v' : 0.02556, 'fluid_pp(2)%cp_v' : 1.e3, 'fluid_pp(2)%D_v' : 2.5e-5,
'patch_icpp(1)%alpha_rho(1)': 0.96,
'patch_icpp(1)%alpha(1)': 4e-02, 'patch_icpp(1)%alpha_rho(2)': 0., 'patch_icpp(1)%alpha(2)': 0.,
'patch_icpp(2)%alpha_rho(1)': 0.96, 'patch_icpp(2)%alpha(1)': 4e-02, 'patch_icpp(2)%alpha_rho(2)': 0.,
'patch_icpp(2)%alpha(2)': 0., 'patch_icpp(3)%alpha_rho(1)': 0.96, 'patch_icpp(3)%alpha(1)': 4e-02,
Expand Down
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