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Merged
sbryngelson merged 4 commits into from
Dec 21, 2025
Merged

fix swapped vapor gas properties #1093

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d4f382a
fix swapped vapor gas properties
hyeoksu-lee Dec 17, 2025
2cc24c7
minor fixes
hyeoksu-lee Dec 17, 2025
a205146
tab to space
hyeoksu-lee Dec 17, 2025
0a24e3f
Merge branch 'master' into lag-swap
sbryngelson Dec 20, 2025
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46 changes: 23 additions & 23 deletions docs/documentation/case.md
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Expand Up @@ -752,29 +752,29 @@ Details of the transducer acoustic source model can be found in [Maeda and Colon

| Parameter | Type | Description |
| ---: | :----: | :--- |
| `bubbles_euler` | Logical | Ensemble-averaged bubble modeling |
| `bubbles_lagrange` | Logical | Volume-averaged bubble modeling |
| `bubble_model` | Integer | [1] Gilmore; [2] Keller--Miksis; [3] Rayleigh-Plesset |
| `bub_pp%R0ref`*†‡ | Real | Reference bubble radius |
| `bub_pp%p0ref`*†‡ | Real | Reference pressure |
| `bub_pp%rho0ref`*†‡| Real | Reference density |
| `bub_pp%T0ref`†‡ | Real | Reference temperature |
| `bub_pp%ss`*†‡ | Real | Surface tension between host and gas (bubble) |
| `bub_pp%pv`*†‡ | Real | Vapor pressure of host |
| `bub_pp%vd`† ‡ | Real | Vapor diffusivity in gas (bubble) |
| `bub_pp%mu_l`*†‡ | Real | Viscosity of host in liquid state |
| `bub_pp%mu_v`† | Real | Viscosity of host in vapor state |
| `bub_pp%mu_g`† | Real | Viscosity of gas (bubble) |
| `bub_pp%gam_v`†‡ | Real | Specific heat ratio of host in vapor state |
| `bub_pp%gam_g`*†‡ | Real | Specific heat ratio of gas (bubble) |
| `bub_pp%M_v`†‡ | Real | Molecular weight of host |
| `bub_pp%M_g`†‡ | Real | Molecular weight of gas (bubble) |
| `bub_pp%k_v`†‡ | Real | Thermal conductivity of host in vapor state |
| `bub_pp%k_g`†‡ | Real | Thermal conductivity of gas (bubble) |
| `bub_pp%cp_v`‡ | Real | Specific heat capacity in constant pressure of host in vapor state |
| `bub_pp%cp_g`‡ | Real | Specific heat capacity in constant pressure of gas (bubble) |
| `bub_pp%R_v`†‡ | Real | Gas constant of host in vapor state |
| `bub_pp%R_g`†‡ | Real | Gas constant of gas (bubble) |
| `bubbles_euler` | Logical | Ensemble-averaged bubble modeling |
| `bubbles_lagrange` | Logical | Volume-averaged bubble modeling |
| `bubble_model` | Integer | [1] Gilmore; [2] Keller--Miksis; [3] Rayleigh-Plesset |
| `bub_pp%%R0ref`*†‡ | Real | Reference bubble radius |
| `bub_pp%%p0ref`*†‡ | Real | Reference pressure |
| `bub_pp%%rho0ref`*†‡| Real | Reference density |
| `bub_pp%%T0ref`†‡ | Real | Reference temperature |
| `bub_pp%%ss`*†‡ | Real | Surface tension between host and gas (bubble) |
| `bub_pp%%pv`*†‡ | Real | Vapor pressure of host |
| `bub_pp%%vd`† ‡ | Real | Vapor diffusivity in gas (bubble) |
| `bub_pp%%mu_l`*†‡ | Real | Viscosity of host in liquid state |
| `bub_pp%%mu_v`† | Real | Viscosity of host in vapor state |
| `bub_pp%%mu_g`† | Real | Viscosity of gas (bubble) |
| `bub_pp%%gam_v`†‡ | Real | Specific heat ratio of host in vapor state |
| `bub_pp%%gam_g`*†‡ | Real | Specific heat ratio of gas (bubble) |
| `bub_pp%%M_v`†‡ | Real | Molecular weight of host |
| `bub_pp%%M_g`†‡ | Real | Molecular weight of gas (bubble) |
| `bub_pp%%k_v`†‡ | Real | Thermal conductivity of host in vapor state |
| `bub_pp%%k_g`†‡ | Real | Thermal conductivity of gas (bubble) |
| `bub_pp%%cp_v`‡ | Real | Specific heat capacity in constant pressure of host in vapor state |
| `bub_pp%%cp_g`‡ | Real | Specific heat capacity in constant pressure of gas (bubble) |
| `bub_pp%%R_v`†‡ | Real | Gas constant of host in vapor state |
| `bub_pp%%R_g`†‡ | Real | Gas constant of gas (bubble) |

- \* These parameters are required for ensemble-averaged bubble model.
- † These parameters are required for ensemble-averaged bubble model with `polytropic = F`.
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45 changes: 24 additions & 21 deletions examples/2D_lagrange_bubblescreen/case.py
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Expand Up @@ -26,8 +26,8 @@
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
gam_g = 1.4 # Specific heat ratio of the gas
gam_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
Expand Down Expand Up @@ -128,6 +128,8 @@
# Lagrangian Bubbles
"bubbles_lagrange": "T",
"bubble_model": 2, # Keller-Miksis model
"thermal": 3,
"polytropic": "F",
"lag_params%nBubs_glb": 1194, # Number of bubbles
"lag_params%solver_approach": 2,
"lag_params%cluster_type": 2,
Expand All @@ -139,33 +141,34 @@
"lag_params%valmaxvoid": 0.9,
"lag_params%write_bubbles": "F",
"lag_params%write_bubbles_stats": "F",
"lag_params%c0": c0,
"lag_params%rho0": rho0,
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Missing charwidth parameter in 2D Lagrangian bubble example

The 2D Lagrangian bubble example no longer sets lag_params%charwidth, but this parameter is required for 2D non-cylindrical simulations. The simulation code uses charwidth for cell volume calculations and particle domain boundary checks in m_bubbles_EL.fpp. Without setting it, the default value of -1e6 is used, causing incorrect volume calculations (negative volumes) and domain checks. The variable z_virtual is still defined on line 52 but is now unused after this change removed "lag_params%charwidth": z_virtual / x0.

Fix in Cursor Fix in Web

"lag_params%T0": T0,
"lag_params%x0": x0,
"lag_params%diffcoefvap": diffVapor,
"lag_params%Thost": T_host,
"lag_params%charwidth": z_virtual / x0,
# 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 * x0 * c0 * c0),
"bub_pp%pv": pv / p0,
"bub_pp%vd": diffVapor / (x0 * c0),
"bub_pp%mu_l": mu_host / (rho0 * x0 * c0),
"bub_pp%gam_v": gam_v,
"bub_pp%gam_g": gam_g,
"bub_pp%M_v": MW_v,
"bub_pp%M_g": MW_g,
"bub_pp%k_v": k_v * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%k_g": k_g * (T0 / (x0 * 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)),
# Fluids Physical Parameters
# Host medium
"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_pp(1)%Re(1)": 1.0 / (mu_host / (rho0 * c0 * x0)),
"fluid_pp(1)%mul0": mu_host,
"fluid_pp(1)%ss": sigBubble,
"fluid_pp(1)%pv": pv,
"fluid_pp(1)%gamma_v": gamma_v,
"fluid_pp(1)%M_v": MW_v,
"fluid_pp(1)%k_v": k_v,
"fluid_pp(1)%cp_v": cp_v,
# Bubble gas state
"fluid_pp(2)%gamma": 1.0 / (gamma_g - 1.0),
"fluid_pp(2)%gamma": 1.0 / (gam_g - 1.0),
"fluid_pp(2)%pi_inf": 0.0e00,
"fluid_pp(2)%Re(1)": 1.0 / (mu_g / (rho0 * c0 * x0)),
"fluid_pp(2)%gamma_v": gamma_g,
"fluid_pp(2)%M_v": MW_g,
"fluid_pp(2)%k_v": k_g,
"fluid_pp(2)%cp_v": cp_g,
}
)
)
20 changes: 10 additions & 10 deletions examples/3D_lagrange_bubblescreen/case.py
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Expand Up @@ -162,16 +162,16 @@
"bub_pp%pv": pv / p0,
"bub_pp%vd": diffVapor / (x0 * c0),
"bub_pp%mu_l": mu_host / (rho0 * x0 * c0),
"bub_pp%gam_v": gam_g,
"bub_pp%gam_g": gam_v,
"bub_pp%M_v": MW_g,
"bub_pp%M_g": MW_v,
"bub_pp%k_v": k_g * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%k_g": k_v * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%cp_v": cp_g * (T0 / (c0 * c0)),
"bub_pp%cp_g": cp_v * (T0 / (c0 * c0)),
"bub_pp%R_v": (R_uni / MW_g) * (T0 / (c0 * c0)),
"bub_pp%R_g": (R_uni / MW_v) * (T0 / (c0 * c0)),
"bub_pp%gam_v": gam_v,
"bub_pp%gam_g": gam_g,
"bub_pp%M_v": MW_v,
"bub_pp%M_g": MW_g,
"bub_pp%k_v": k_v * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%k_g": k_g * (T0 / (x0 * 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)),
# Fluids Physical Parameters
# Host medium
"fluid_pp(1)%gamma": 1.0 / (gamma_host - 1.0),
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20 changes: 10 additions & 10 deletions examples/3D_lagrange_shbubcollapse/case.py
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Expand Up @@ -164,16 +164,16 @@
"bub_pp%pv": pv / p0,
"bub_pp%vd": diffVapor / (x0 * c0),
"bub_pp%mu_l": mu_host / (rho0 * x0 * c0),
"bub_pp%gam_v": gam_g,
"bub_pp%gam_g": gam_v,
"bub_pp%M_v": MW_g,
"bub_pp%M_g": MW_v,
"bub_pp%k_v": k_g * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%k_g": k_v * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%cp_v": cp_g * (T0 / (c0 * c0)),
"bub_pp%cp_g": cp_v * (T0 / (c0 * c0)),
"bub_pp%R_v": (R_uni / MW_g) * (T0 / (c0 * c0)),
"bub_pp%R_g": (R_uni / MW_v) * (T0 / (c0 * c0)),
"bub_pp%gam_v": gam_v,
"bub_pp%gam_g": gam_g,
"bub_pp%M_v": MW_v,
"bub_pp%M_g": MW_g,
"bub_pp%k_v": k_v * (T0 / (x0 * rho0 * c0 * c0 * c0)),
"bub_pp%k_g": k_g * (T0 / (x0 * 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)),
# Fluids Physical Parameters
# Host medium
"fluid_pp(1)%gamma": 1.0 / (gamma_host - 1.0),
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4 changes: 0 additions & 4 deletions src/common/m_derived_types.fpp
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Expand Up @@ -473,10 +473,6 @@ module m_derived_types
real(wp) :: epsilonb !< Standard deviation scaling for the gaussian function
real(wp) :: charwidth !< Domain virtual depth (z direction, for 2D simulations)
real(wp) :: valmaxvoid !< Maximum void fraction permitted
real(wp) :: c0 !< Reference speed
real(wp) :: rho0 !< Reference density
real(wp) :: T0, Thost !< Reference temperature and host temperature
real(wp) :: x0 !< Reference length

end type bubbles_lagrange_parameters

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5 changes: 0 additions & 5 deletions src/simulation/m_global_parameters.fpp
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Expand Up @@ -832,11 +832,6 @@ contains
lag_params%epsilonb = 1._wp
lag_params%charwidth = dflt_real
lag_params%valmaxvoid = dflt_real
lag_params%c0 = dflt_real
lag_params%rho0 = dflt_real
lag_params%T0 = dflt_real
lag_params%Thost = dflt_real
lag_params%x0 = dflt_real

! Continuum damage model
tau_star = dflt_real
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3 changes: 1 addition & 2 deletions src/simulation/m_mpi_proxy.fpp
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Expand Up @@ -140,8 +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', 'epsilonb','charwidth', &
& 'valmaxvoid', 'Thost']
#:for VAR in ['epsilonb','charwidth','valmaxvoid']
call MPI_BCAST(lag_params%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
#:endfor
end if
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