pycphy 0.1.0__py3-none-any.whl → 0.2.0__py3-none-any.whl

pycphy/foamCaseDeveloper/config/system/fv_schemes_config.py

@@ -0,0 +1,363 @@
+# fv_schemes_config.py
+
+"""
+Finite Volume Schemes Configuration for OpenFOAM cases.
+
+This module provides comprehensive configuration options for finite volume discretization
+schemes including time derivatives, gradients, divergence, Laplacian, interpolation,
+and surface normal gradients.
+"""
+
+# =============================================================================
+#           *** User Input for fvSchemes ***
+# =============================================================================
+
+# --- Master Control ---
+# Set to True to write 'system/fvSchemes'.
+WRITE_FV_SCHEMES = True
+
+# =============================================================================
+#           *** Time Derivative Schemes (ddtSchemes) ***
+# =============================================================================
+# Control how time derivatives are discretized
+
+DDT_SCHEMES = {
+    # Default scheme for all time derivatives
+    # Options:
+    #   "Euler": First-order explicit Euler (unconditionally unstable)
+    #   "backward": First-order implicit backward Euler (unconditionally stable)
+    #   "CrankNicolson": Second-order implicit Crank-Nicolson (conditionally stable)
+    #   "localEuler": Local time stepping with Euler scheme
+    #   "steadyState": For steady-state simulations (no time derivative)
+    #   "localSteadyState": Local steady-state (useful for initialization)
+    "default": "backward",
+    
+    # Field-specific schemes (optional)
+    "fieldSpecific": {
+        # Example: Use different scheme for specific fields
+        # "p": "Gauss linear",
+        # "U": "Gauss upwind",
+    }
+}
+
+# =============================================================================
+#           *** Gradient Schemes (gradSchemes) ***
+# =============================================================================
+# Control how gradients are computed
+
+GRAD_SCHEMES = {
+    # Default gradient scheme
+    # Options:
+    #   "Gauss linear": Second-order accurate central difference
+    #   "Gauss linearUpwind": First-order upwind (stable but diffusive)
+    #   "Gauss linearUpwind grad": Upwind with gradient correction
+    #   "Gauss pointCellsLeastSquares": Least squares gradient
+    #   "Gauss cellMDLimited": Cell-based multi-dimensional limiter
+    #   "Gauss faceMDLimited": Face-based multi-dimensional limiter
+    #   "leastSquares": Least squares gradient (alternative syntax)
+    "default": "Gauss linear",
+    
+    # Field-specific gradient schemes
+    "fieldSpecific": {
+        # Example: Use different gradient schemes for different fields
+        "p": "Gauss linear",           # Pressure gradient
+        "U": "Gauss linear",           # Velocity gradient
+        # "T": "Gauss linearUpwind",   # Temperature gradient (upwind for stability)
+        # "k": "Gauss linearUpwind",   # Turbulent kinetic energy (upwind)
+        # "epsilon": "Gauss linearUpwind",  # Turbulent dissipation rate (upwind)
+    }
+}
+
+# =============================================================================
+#           *** Divergence Schemes (divSchemes) ***
+# =============================================================================
+# Control how divergence terms are discretized
+
+DIV_SCHEMES = {
+    # Default divergence scheme
+    "default": "none",
+    
+    # Field-specific divergence schemes
+    "fieldSpecific": {
+        # Convection terms (phi is the flux)
+        "div(phi,U)": "Gauss linear",                    # Momentum convection
+        "div(phi,k)": "Gauss upwind",                    # Turbulent kinetic energy convection
+        "div(phi,epsilon)": "Gauss upwind",              # Turbulent dissipation convection
+        "div(phi,omega)": "Gauss upwind",                # Specific dissipation rate convection
+        "div(phi,T)": "Gauss linear",                    # Temperature convection
+        "div(phi,Yi)": "Gauss upwind",                   # Species mass fraction convection
+        "div(phi,alpha.water)": "Gauss vanLeer",         # Volume fraction convection (VOF)
+        
+        # Diffusion terms
+        "div((nuEff*dev2(T(grad(U)))))": "Gauss linear", # Viscous stress divergence
+        "div((nuEff*dev(T(grad(U)))))": "Gauss linear",  # Viscous stress divergence (alternative)
+        "div((alpha*he*U))": "Gauss linear",             # Enthalpy convection
+        "div((rho*U))": "Gauss linear",                  # Mass convection
+        "div((rho*U*U))": "Gauss linear",                # Momentum convection
+        "div((rho*phi*U))": "Gauss linear",              # Momentum convection with phi
+        
+        # Turbulent terms
+        "div(phi,nuTilda)": "Gauss upwind",              # Spalart-Allmaras convection
+        "div(phi,R)": "Gauss linear",                    # Reynolds stress convection
+        
+        # Compressible flow terms
+        "div(phi,p)": "Gauss linear",                    # Pressure convection
+        "div(phi,h)": "Gauss linear",                    # Enthalpy convection
+        "div(phi,rho)": "Gauss linear",                  # Density convection
+        
+        # Multiphase flow terms
+        "div(phi,alpha1)": "Gauss vanLeer",              # Phase fraction convection
+        "div(phi,alpha2)": "Gauss vanLeer",              # Phase fraction convection
+        "div(phi,alpha)": "Gauss vanLeer",               # Volume fraction convection
+        
+        # Combustion terms
+        "div(phi,Yi)": "Gauss upwind",                   # Species mass fraction
+        "div(phi,Y)": "Gauss upwind",                    # Mass fraction (generic)
+        "div(phi,ft)": "Gauss upwind",                   # Mixture fraction
+        "div(phi,Z)": "Gauss upwind",                    # Progress variable
+    }
+}
+
+# =============================================================================
+#           *** Laplacian Schemes (laplacianSchemes) ***
+# =============================================================================
+# Control how Laplacian (diffusion) terms are discretized
+
+LAPLACIAN_SCHEMES = {
+    # Default Laplacian scheme
+    # Options:
+    #   "Gauss linear": Second-order central difference
+    #   "Gauss linear corrected": Corrected for non-orthogonal meshes
+    #   "Gauss linear limited": Limited to prevent overshoots
+    #   "Gauss linear limited corrected": Limited and corrected
+    #   "Gauss linear uncorrected": Uncorrected (faster but less accurate)
+    #   "Gauss linear orthogonal": For orthogonal meshes only
+    "default": "Gauss linear corrected",
+    
+    # Field-specific Laplacian schemes
+    "fieldSpecific": {
+        # Diffusion terms
+        "laplacian(nu,U)": "Gauss linear corrected",     # Viscous diffusion
+        "laplacian(nuEff,U)": "Gauss linear corrected",  # Effective viscous diffusion
+        "laplacian(DT,T)": "Gauss linear corrected",     # Thermal diffusion
+        "laplacian(DT,h)": "Gauss linear corrected",     # Enthalpy diffusion
+        "laplacian(D,Yi)": "Gauss linear corrected",     # Species diffusion
+        "laplacian(alpha,rho)": "Gauss linear corrected", # Density diffusion
+        "laplacian(1,p)": "Gauss linear corrected",      # Pressure diffusion (Poisson)
+        "laplacian(1,rho)": "Gauss linear corrected",    # Density diffusion
+        
+        # Turbulent diffusion
+        "laplacian(nuTilda,nuTilda)": "Gauss linear corrected",  # Spalart-Allmaras
+        "laplacian((nu+nuT),U)": "Gauss linear corrected",       # Turbulent viscosity
+        
+        # Multiphase diffusion
+        "laplacian(alpha,alpha)": "Gauss linear corrected",      # Phase fraction diffusion
+        "laplacian(D32,alpha)": "Gauss linear corrected",        # Phase fraction diffusion
+    }
+}
+
+# =============================================================================
+#           *** Interpolation Schemes (interpolationSchemes) ***
+# =============================================================================
+# Control how values are interpolated from cell centers to face centers
+
+INTERPOLATION_SCHEMES = {
+    # Default interpolation scheme
+    # Options:
+    #   "linear": Second-order linear interpolation
+    #   "linearUpwind": First-order upwind (stable but diffusive)
+    #   "skewCorrected linear": Skewness-corrected linear
+    #   "cubic": Third-order cubic interpolation
+    #   "upwind": First-order upwind
+    #   "midPoint": Mid-point interpolation (first-order)
+    #   "harmonic": Harmonic mean interpolation
+    #   "pointCellsLeastSquares": Least squares interpolation
+    "default": "linear",
+    
+    # Field-specific interpolation schemes
+    "fieldSpecific": {
+        # Example: Use different interpolation for different fields
+        # "U": "linear",                    # Velocity interpolation
+        # "p": "linear",                    # Pressure interpolation
+        # "T": "linearUpwind",              # Temperature interpolation (upwind for stability)
+        # "alpha.water": "linear",          # Volume fraction interpolation
+    }
+}
+
+# =============================================================================
+#           *** Surface Normal Gradient Schemes (snGradSchemes) ***
+# =============================================================================
+# Control how surface normal gradients are computed
+
+SNGRAD_SCHEMES = {
+    # Default surface normal gradient scheme
+    # Options:
+    #   "corrected": Corrected for non-orthogonal meshes (recommended)
+    #   "uncorrected": Uncorrected (faster but less accurate on non-orthogonal meshes)
+    #   "limited": Limited to prevent overshoots
+    #   "orthogonal": For orthogonal meshes only
+    #   "limited corrected": Limited and corrected
+    "default": "corrected",
+    
+    # Field-specific surface normal gradient schemes
+    "fieldSpecific": {
+        # Example: Use different schemes for different fields
+        # "p": "corrected",                 # Pressure gradient
+        # "U": "corrected",                 # Velocity gradient
+        # "T": "corrected",                 # Temperature gradient
+    }
+}
+
+# =============================================================================
+#           *** Flux Required Schemes (fluxRequired) ***
+# =============================================================================
+# Specify which fields require flux computation
+
+FLUX_REQUIRED_SCHEMES = {
+    # Enable flux computation for specific fields
+    "enabled": True,
+    
+    # List of fields that require flux computation
+    "fields": [
+        "p",                    # Pressure field
+        "U",                    # Velocity field
+        "T",                    # Temperature field
+        # "alpha.water",        # Volume fraction field
+        # "k",                  # Turbulent kinetic energy
+        # "epsilon",            # Turbulent dissipation rate
+        # "omega",              # Specific dissipation rate
+        # "nuTilda",            # Spalart-Allmaras variable
+    ]
+}
+
+# =============================================================================
+#           *** Predefined Scheme Sets ***
+# =============================================================================
+# Common scheme configurations for different simulation types
+
+PREDEFINED_SCHEME_SETS = {
+    "laminar_steady": {
+        "description": "Laminar steady-state simulation",
+        "ddtSchemes": {"default": "steadyState"},
+        "gradSchemes": {"default": "Gauss linear"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss linear",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "linear"},
+        "snGradSchemes": {"default": "corrected"},
+    },
+    
+    "laminar_transient": {
+        "description": "Laminar transient simulation",
+        "ddtSchemes": {"default": "backward"},
+        "gradSchemes": {"default": "Gauss linear"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss linear",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "linear"},
+        "snGradSchemes": {"default": "corrected"},
+    },
+    
+    "turbulent_ras": {
+        "description": "Reynolds-Averaged Navier-Stokes (RANS) simulation",
+        "ddtSchemes": {"default": "backward"},
+        "gradSchemes": {"default": "Gauss linear"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss linear",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+                "div(phi,k)": "Gauss upwind",
+                "div(phi,epsilon)": "Gauss upwind",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "linear"},
+        "snGradSchemes": {"default": "corrected"},
+    },
+    
+    "turbulent_les": {
+        "description": "Large Eddy Simulation (LES)",
+        "ddtSchemes": {"default": "backward"},
+        "gradSchemes": {"default": "Gauss linear"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss linear",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "linear"},
+        "snGradSchemes": {"default": "corrected"},
+    },
+    
+    "multiphase_vof": {
+        "description": "Multiphase Volume of Fluid (VOF) simulation",
+        "ddtSchemes": {"default": "backward"},
+        "gradSchemes": {"default": "Gauss linear"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss linear",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+                "div(phi,alpha.water)": "Gauss vanLeer",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "linear"},
+        "snGradSchemes": {"default": "corrected"},
+    },
+    
+    "high_order": {
+        "description": "High-order accurate schemes (for smooth flows)",
+        "ddtSchemes": {"default": "CrankNicolson"},
+        "gradSchemes": {"default": "Gauss linear"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss linear",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "cubic"},
+        "snGradSchemes": {"default": "corrected"},
+    },
+    
+    "stable_upwind": {
+        "description": "Stable upwind schemes (for difficult flows)",
+        "ddtSchemes": {"default": "backward"},
+        "gradSchemes": {"default": "Gauss linearUpwind"},
+        "divSchemes": {
+            "default": "none",
+            "fieldSpecific": {
+                "div(phi,U)": "Gauss upwind",
+                "div((nuEff*dev2(T(grad(U)))))": "Gauss linear",
+            }
+        },
+        "laplacianSchemes": {"default": "Gauss linear corrected"},
+        "interpolationSchemes": {"default": "linearUpwind"},
+        "snGradSchemes": {"default": "corrected"},
+    }
+}
+
+# =============================================================================
+#           *** Configuration Selection ***
+# =============================================================================
+# Select which predefined scheme set to use (overrides manual settings above)
+
+USE_PREDEFINED_SCHEMES = None  # Set to scheme set name from PREDEFINED_SCHEME_SETS or None for manual config
+
+# Example usage:
+# USE_PREDEFINED_SCHEMES = "turbulent_ras"  # Will use RANS-appropriate schemes