1(example-petsc-navier-stokes)= 2 3# Compressible Navier-Stokes mini-app 4 5This example is located in the subdirectory {file}`examples/fluids`. 6It solves the time-dependent Navier-Stokes equations of compressible gas dynamics in a static Eulerian three-dimensional frame using unstructured high-order finite/spectral element spatial discretizations and explicit or implicit high-order time-stepping (available in PETSc). 7Moreover, the Navier-Stokes example has been developed using PETSc, so that the pointwise physics (defined at quadrature points) is separated from the parallelization and meshing concerns. 8 9## Running the mini-app 10 11```{include} README.md 12:start-after: inclusion-fluids-marker 13``` 14## The Navier-Stokes equations 15 16The mathematical formulation (from {cite}`shakib1991femcfd`) is given in what follows. 17The compressible Navier-Stokes equations in conservative form are 18 19$$ 20\begin{aligned} 21\frac{\partial \rho}{\partial t} + \nabla \cdot \bm{U} &= 0 \\ 22\frac{\partial \bm{U}}{\partial t} + \nabla \cdot \left( \frac{\bm{U} \otimes \bm{U}}{\rho} + P \bm{I}_3 -\bm\sigma \right) - \rho \bm{b} &= 0 \\ 23\frac{\partial E}{\partial t} + \nabla \cdot \left( \frac{(E + P)\bm{U}}{\rho} -\bm{u} \cdot \bm{\sigma} - k \nabla T \right) - \rho \bm{b} \cdot \bm{u} &= 0 \, , \\ 24\end{aligned} 25$$ (eq-ns) 26 27where $\bm{\sigma} = \mu(\nabla \bm{u} + (\nabla \bm{u})^T + \lambda (\nabla \cdot \bm{u})\bm{I}_3)$ is the Cauchy (symmetric) stress tensor, with $\mu$ the dynamic viscosity coefficient, and $\lambda = - 2/3$ the Stokes hypothesis constant. 28In equations {eq}`eq-ns`, $\rho$ represents the volume mass density, $U$ the momentum density (defined as $\bm{U}=\rho \bm{u}$, where $\bm{u}$ is the vector velocity field), $E$ the total energy density (defined as $E = \rho e$, where $e$ is the total energy including thermal and kinetic but not potential energy), $\bm{I}_3$ represents the $3 \times 3$ identity matrix, $\bm{b}$ is a body force vector (e.g., gravity vector $\bm{g}$), $k$ the thermal conductivity constant, $T$ represents the temperature, and $P$ the pressure, given by the following equation of state 29 30$$ 31P = \left( {c_p}/{c_v} -1\right) \left( E - {\bm{U}\cdot\bm{U}}/{(2 \rho)} \right) \, , 32$$ (eq-state) 33 34where $c_p$ is the specific heat at constant pressure and $c_v$ is the specific heat at constant volume (that define $\gamma = c_p / c_v$, the specific heat ratio). 35 36The system {eq}`eq-ns` can be rewritten in vector form 37 38$$ 39\frac{\partial \bm{q}}{\partial t} + \nabla \cdot \bm{F}(\bm{q}) -S(\bm{q}) = 0 \, , 40$$ (eq-vector-ns) 41 42for the state variables 5-dimensional vector 43 44$$ 45\bm{q} = \begin{pmatrix} \rho \\ \bm{U} \equiv \rho \bm{ u }\\ E \equiv \rho e \end{pmatrix} \begin{array}{l} \leftarrow\textrm{ volume mass density}\\ \leftarrow\textrm{ momentum density}\\ \leftarrow\textrm{ energy density} \end{array} 46$$ 47 48where the flux and the source terms, respectively, are given by 49 50$$ 51\begin{aligned} 52\bm{F}(\bm{q}) &= 53\underbrace{\begin{pmatrix} 54 \bm{U}\\ 55 {(\bm{U} \otimes \bm{U})}/{\rho} + P \bm{I}_3 \\ 56 {(E + P)\bm{U}}/{\rho} 57\end{pmatrix}}_{\bm F_{\text{adv}}} + 58\underbrace{\begin{pmatrix} 590 \\ 60- \bm{\sigma} \\ 61 - \bm{u} \cdot \bm{\sigma} - k \nabla T 62\end{pmatrix}}_{\bm F_{\text{diff}}},\\ 63S(\bm{q}) &= 64 \begin{pmatrix} 65 0\\ 66 \rho \bm{b}\\ 67 \rho \bm{b}\cdot \bm{u} 68\end{pmatrix}. 69\end{aligned} 70$$ (eq-ns-flux) 71 72### Finite Element Formulation (Spatial Discretization) 73 74Let the discrete solution be 75 76$$ 77\bm{q}_N (\bm{x},t)^{(e)} = \sum_{k=1}^{P}\psi_k (\bm{x})\bm{q}_k^{(e)} 78$$ 79 80with $P=p+1$ the number of nodes in the element $e$. 81We use tensor-product bases $\psi_{kji} = h_i(X_0)h_j(X_1)h_k(X_2)$. 82 83To obtain a finite element discretization, we first multiply the strong form {eq}`eq-vector-ns` by a test function $\bm v \in H^1(\Omega)$ and integrate, 84 85$$ 86\int_{\Omega} \bm v \cdot \left(\frac{\partial \bm{q}_N}{\partial t} + \nabla \cdot \bm{F}(\bm{q}_N) - \bm{S}(\bm{q}_N) \right) \,dV = 0 \, , \; \forall \bm v \in \mathcal{V}_p\,, 87$$ 88 89with $\mathcal{V}_p = \{ \bm v(\bm x) \in H^{1}(\Omega_e) \,|\, \bm v(\bm x_e(\bm X)) \in P_p(\bm{I}), e=1,\ldots,N_e \}$ a mapped space of polynomials containing at least polynomials of degree $p$ (with or without the higher mixed terms that appear in tensor product spaces). 90 91Integrating by parts on the divergence term, we arrive at the weak form, 92 93$$ 94\begin{aligned} 95\int_{\Omega} \bm v \cdot \left( \frac{\partial \bm{q}_N}{\partial t} - \bm{S}(\bm{q}_N) \right) \,dV 96- \int_{\Omega} \nabla \bm v \!:\! \bm{F}(\bm{q}_N)\,dV & \\ 97+ \int_{\partial \Omega} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS 98 &= 0 \, , \; \forall \bm v \in \mathcal{V}_p \,, 99\end{aligned} 100$$ (eq-weak-vector-ns) 101 102where $\bm{F}(\bm q_N) \cdot \widehat{\bm{n}}$ is typically replaced with a boundary condition. 103 104:::{note} 105The notation $\nabla \bm v \!:\! \bm F$ represents contraction over both fields and spatial dimensions while a single dot represents contraction in just one, which should be clear from context, e.g., $\bm v \cdot \bm S$ contracts over fields while $\bm F \cdot \widehat{\bm n}$ contracts over spatial dimensions. 106::: 107 108### Time Discretization 109For the time discretization, we use two types of time stepping schemes through PETSc. 110 111#### Explicit time-stepping method 112 113 The following explicit formulation is solved with the adaptive Runge-Kutta-Fehlberg (RKF4-5) method by default (any explicit time-stepping scheme available in PETSc can be chosen at runtime) 114 115 $$ 116 \bm{q}_N^{n+1} = \bm{q}_N^n + \Delta t \sum_{i=1}^{s} b_i k_i \, , 117 $$ 118 119 where 120 121 $$ 122 \begin{aligned} 123 k_1 &= f(t^n, \bm{q}_N^n)\\ 124 k_2 &= f(t^n + c_2 \Delta t, \bm{q}_N^n + \Delta t (a_{21} k_1))\\ 125 k_3 &= f(t^n + c_3 \Delta t, \bm{q}_N^n + \Delta t (a_{31} k_1 + a_{32} k_2))\\ 126 \vdots&\\ 127 k_i &= f\left(t^n + c_i \Delta t, \bm{q}_N^n + \Delta t \sum_{j=1}^s a_{ij} k_j \right)\\ 128 \end{aligned} 129 $$ 130 131 and with 132 133 $$ 134 f(t^n, \bm{q}_N^n) = - [\nabla \cdot \bm{F}(\bm{q}_N)]^n + [S(\bm{q}_N)]^n \, . 135 $$ 136 137#### Implicit time-stepping method 138 139 This time stepping method which can be selected using the option `-implicit` is solved with Backward Differentiation Formula (BDF) method by default (similarly, any implicit time-stepping scheme available in PETSc can be chosen at runtime). 140 The implicit formulation solves nonlinear systems for $\bm q_N$: 141 142 $$ 143 \bm f(\bm q_N) \equiv \bm g(t^{n+1}, \bm{q}_N, \bm{\dot{q}}_N) = 0 \, , 144 $$ (eq-ts-implicit-ns) 145 146 where the time derivative $\bm{\dot q}_N$ is defined by 147 148 $$ 149 \bm{\dot{q}}_N(\bm q_N) = \alpha \bm q_N + \bm z_N 150 $$ 151 152 in terms of $\bm z_N$ from prior state and $\alpha > 0$, both of which depend on the specific time integration scheme (backward difference formulas, generalized alpha, implicit Runge-Kutta, etc.). 153 Each nonlinear system {eq}`eq-ts-implicit-ns` will correspond to a weak form, as explained below. 154 In determining how difficult a given problem is to solve, we consider the Jacobian of {eq}`eq-ts-implicit-ns`, 155 156 $$ 157 \frac{\partial \bm f}{\partial \bm q_N} = \frac{\partial \bm g}{\partial \bm q_N} + \alpha \frac{\partial \bm g}{\partial \bm{\dot q}_N}. 158 $$ 159 160 The scalar "shift" $\alpha$ scales inversely with the time step $\Delta t$, so small time steps result in the Jacobian being dominated by the second term, which is a sort of "mass matrix", and typically well-conditioned independent of grid resolution with a simple preconditioner (such as Jacobi). 161 In contrast, the first term dominates for large time steps, with a condition number that grows with the diameter of the domain and polynomial degree of the approximation space. 162 Both terms are significant for time-accurate simulation and the setup costs of strong preconditioners must be balanced with the convergence rate of Krylov methods using weak preconditioners. 163 164More details of PETSc's time stepping solvers can be found in the [TS User Guide](https://petsc.org/release/docs/manual/ts/). 165 166### Stabilization 167We solve {eq}`eq-weak-vector-ns` using a Galerkin discretization (default) or a stabilized method, as is necessary for most real-world flows. 168 169Galerkin methods produce oscillations for transport-dominated problems (any time the cell Péclet number is larger than 1), and those tend to blow up for nonlinear problems such as the Euler equations and (low-viscosity/poorly resolved) Navier-Stokes, in which case stabilization is necessary. 170Our formulation follows {cite}`hughesetal2010`, which offers a comprehensive review of stabilization and shock-capturing methods for continuous finite element discretization of compressible flows. 171 172- **SUPG** (streamline-upwind/Petrov-Galerkin) 173 174 In this method, the weighted residual of the strong form {eq}`eq-vector-ns` is added to the Galerkin formulation {eq}`eq-weak-vector-ns`. 175 The weak form for this method is given as 176 177 $$ 178 \begin{aligned} 179 \int_{\Omega} \bm v \cdot \left( \frac{\partial \bm{q}_N}{\partial t} - \bm{S}(\bm{q}_N) \right) \,dV 180 - \int_{\Omega} \nabla \bm v \!:\! \bm{F}(\bm{q}_N)\,dV & \\ 181 + \int_{\partial \Omega} \bm v \cdot \bm{F}(\bm{q}_N) \cdot \widehat{\bm{n}} \,dS & \\ 182 + \int_{\Omega} \nabla\bm v \tcolon\left(\frac{\partial \bm F_{\text{adv}}}{\partial \bm q}\right) \bm\tau \left( \frac{\partial \bm{q}_N}{\partial t} \, + \, 183 \nabla \cdot \bm{F} \, (\bm{q}_N) - \bm{S}(\bm{q}_N) \right) \,dV &= 0 184 \, , \; \forall \bm v \in \mathcal{V}_p 185 \end{aligned} 186 $$ (eq-weak-vector-ns-supg) 187 188 This stabilization technique can be selected using the option `-stab supg`. 189 190- **SU** (streamline-upwind) 191 192 This method is a simplified version of *SUPG* {eq}`eq-weak-vector-ns-supg` which is developed for debugging/comparison purposes. The weak form for this method is 193 194 $$ 195 \begin{aligned} 196 \int_{\Omega} \bm v \cdot \left( \frac{\partial \bm{q}_N}{\partial t} - \bm{S}(\bm{q}_N) \right) \,dV 197 - \int_{\Omega} \nabla \bm v \!:\! \bm{F}(\bm{q}_N)\,dV & \\ 198 + \int_{\partial \Omega} \bm v \cdot \bm{F}(\bm{q}_N) \cdot \widehat{\bm{n}} \,dS & \\ 199 + \int_{\Omega} \nabla\bm v \tcolon\left(\frac{\partial \bm F_{\text{adv}}}{\partial \bm q}\right) \bm\tau \nabla \cdot \bm{F} \, (\bm{q}_N) \,dV 200 & = 0 \, , \; \forall \bm v \in \mathcal{V}_p 201 \end{aligned} 202 $$ (eq-weak-vector-ns-su) 203 204 This stabilization technique can be selected using the option `-stab su`. 205 206In both {eq}`eq-weak-vector-ns-su` and {eq}`eq-weak-vector-ns-supg`, $\bm\tau \in \mathbb R^{5\times 5}$ (field indices) is an intrinsic time scale matrix. 207The SUPG technique and the operator $\frac{\partial \bm F_{\text{adv}}}{\partial \bm q}$ (rather than its transpose) can be explained via an ansatz for subgrid state fluctuations $\tilde{\bm q} = -\bm\tau \bm r$ where $\bm r$ is a strong form residual. 208The forward variational form can be readily expressed by differentiating $\bm F_{\text{adv}}$ of {eq}`eq-ns-flux` 209 210$$ 211\begin{aligned} 212\diff\bm F_{\text{adv}}(\diff\bm q; \bm q) &= \frac{\partial \bm F_{\text{adv}}}{\partial \bm q} \diff\bm q \\ 213&= \begin{pmatrix} 214\diff\bm U \\ 215(\diff\bm U \otimes \bm U + \bm U \otimes \diff\bm U)/\rho - (\bm U \otimes \bm U)/\rho^2 \diff\rho + \diff P \bm I_3 \\ 216(E + P)\diff\bm U/\rho + (\diff E + \diff P)\bm U/\rho - (E + P) \bm U/\rho^2 \diff\rho 217\end{pmatrix}, 218\end{aligned} 219$$ 220 221where $\diff P$ is defined by differentiating {eq}`eq-state`. 222 223:::{dropdown} Stabilization scale $\bm\tau$ 224A velocity vector $\bm u$ can be pulled back to the reference element as $\bm u_{\bm X} = \nabla_{\bm x}\bm X \cdot \bm u$, with units of reference length (non-dimensional) per second. 225To build intuition, consider a boundary layer element of dimension $(1, \epsilon)$, for which $\nabla_{\bm x} \bm X = \bigl(\begin{smallmatrix} 2 & \\ & 2/\epsilon \end{smallmatrix}\bigr)$. 226So a small normal component of velocity will be amplified (by a factor of the aspect ratio $1/\epsilon$) in this transformation. 227The ratio $\lVert \bm u \rVert / \lVert \bm u_{\bm X} \rVert$ is a covariant measure of (half) the element length in the direction of the velocity. 228A contravariant measure of element length in the direction of a unit vector $\hat{\bm n}$ is given by $\lVert \bigl(\nabla_{\bm X} \bm x\bigr)^T \hat{\bm n} \rVert$. 229While $\nabla_{\bm X} \bm x$ is readily computable, its inverse $\nabla_{\bm x} \bm X$ is needed directly in finite element methods and thus more convenient for our use. 230If we consider a parallelogram, the covariant measure is larger than the contravariant measure for vectors pointing between acute corners and the opposite holds for vectors between oblique corners. 231 232The cell Péclet number is classically defined by $\mathrm{Pe}_h = \lVert \bm u \rVert h / (2 \kappa)$ where $\kappa$ is the diffusivity (units of $m^2/s$). 233This can be generalized to arbitrary grids by defining the local Péclet number 234 235$$ 236\mathrm{Pe} = \frac{\lVert \bm u \rVert^2}{\lVert \bm u_{\bm X} \rVert \kappa}. 237$$ (eq-peclet) 238 239For scalar advection-diffusion, the stabilization is a scalar 240 241$$ 242\tau = \frac{\xi(\mathrm{Pe})}{\lVert \bm u_{\bm X} \rVert}, 243$$ (eq-tau-advdiff) 244 245where $\xi(\mathrm{Pe}) = \coth \mathrm{Pe} - 1/\mathrm{Pe}$ approaches 1 at large local Péclet number. 246Note that $\tau$ has units of time and, in the transport-dominated limit, is proportional to element transit time in the direction of the propagating wave. 247For advection-diffusion, $\bm F(q) = \bm u q$, and thus the SU stabilization term is 248 249$$ 250\nabla v \cdot \bm u \tau \bm u \cdot \nabla q = \nabla_{\bm X} v \cdot (\bm u_{\bm X} \tau \bm u_{\bm X}) \cdot \nabla_{\bm X} q . 251$$ (eq-su-stabilize-advdiff) 252 253where the term in parentheses is a rank-1 diffusivity tensor that has been pulled back to the reference element. 254See {cite}`hughesetal2010` equations 15-17 and 34-36 for further discussion of this formulation. 255 256For the Navier-Stokes and Euler equations, {cite}`whiting2003hierarchical` defines a $5\times 5$ diagonal stabilization $\mathrm{diag}(\tau_c, \tau_m, \tau_m, \tau_m, \tau_E)$ consisting of 2571. continuity stabilization $\tau_c$ 2582. momentum stabilization $\tau_m$ 2593. energy stabilization $\tau_E$ 260 261The Navier-Stokes code in this example uses the following formulation for $\tau_c$, $\tau_m$, $\tau_E$: 262 263$$ 264\begin{aligned} 265 266\tau_c &= \frac{C_c \mathcal{F}}{8\rho \trace(\bm g)} \\ 267\tau_m &= \frac{C_m}{\mathcal{F}} \\ 268\tau_E &= \frac{C_E}{\mathcal{F} c_v} \\ 269\end{aligned} 270$$ 271 272$$ 273\mathcal{F} = \sqrt{ \rho^2 \left [ \left(\frac{2C_t}{\Delta t}\right)^2 274+ \bm u \cdot (\bm u \cdot \bm g)\right] 275+ C_v \mu^2 \Vert \bm g \Vert_F ^2} 276$$ 277 278where $\bm g = \nabla_{\bm x} \bm{X}^T \cdot \nabla_{\bm x} \bm{X}$ is the metric tensor and $\Vert \cdot \Vert_F$ is the Frobenius norm. 279This formulation is currently not available in the Euler code. 280 281In the Euler code, we follow {cite}`hughesetal2010` in defining a $3\times 3$ diagonal stabilization according to spatial criterion 2 (equation 27) as follows. 282 283$$ 284\tau_{ii} = c_{\tau} \frac{2 \xi(\mathrm{Pe})}{(\lambda_{\max \text{abs}})_i \lVert \nabla_{x_i} \bm X \rVert} 285$$ (eq-tau-conservative) 286 287where $c_{\tau}$ is a multiplicative constant reported to be optimal at 0.5 for linear elements, $\hat{\bm n}_i$ is a unit vector in direction $i$, and $\nabla_{x_i} = \hat{\bm n}_i \cdot \nabla_{\bm x}$ is the derivative in direction $i$. 288The flux Jacobian $\frac{\partial \bm F_{\text{adv}}}{\partial \bm q} \cdot \hat{\bm n}_i$ in each direction $i$ is a $5\times 5$ matrix with spectral radius $(\lambda_{\max \text{abs}})_i$ equal to the fastest wave speed. 289The complete set of eigenvalues of the Euler flux Jacobian in direction $i$ are (e.g., {cite}`toro2009`) 290 291$$ 292\Lambda_i = [u_i - a, u_i, u_i, u_i, u_i+a], 293$$ (eq-eigval-advdiff) 294 295where $u_i = \bm u \cdot \hat{\bm n}_i$ is the velocity component in direction $i$ and $a = \sqrt{\gamma P/\rho}$ is the sound speed for ideal gasses. 296Note that the first and last eigenvalues represent nonlinear acoustic waves while the middle three are linearly degenerate, carrying a contact wave (temperature) and transverse components of momentum. 297The fastest wave speed in direction $i$ is thus 298 299$$ 300\lambda_{\max \text{abs}} \Bigl( \frac{\partial \bm F_{\text{adv}}}{\partial \bm q} \cdot \hat{\bm n}_i \Bigr) = |u_i| + a 301$$ (eq-wavespeed) 302 303Note that this wave speed is specific to ideal gases as $\gamma$ is an ideal gas parameter; other equations of state will yield a different acoustic wave speed. 304 305::: 306 307Currently, this demo provides three types of problems/physical models that can be selected at run time via the option `-problem`. 308{ref}`problem-advection`, the problem of the transport of energy in a uniform vector velocity field, {ref}`problem-euler-vortex`, the exact solution to the Euler equations, and the so called {ref}`problem-density-current` problem. 309 310### Subgrid Stress Modeling 311 312When a fluid simulation is under-resolved (the smallest length scale resolved by the grid is much larger than the smallest physical scale, the [Kolmogorov length scale](https://en.wikipedia.org/wiki/Kolmogorov_microscales)), this is mathematically interpreted as filtering the Navier-Stokes equations. 313This is known as large-eddy simulation (LES), as only the "large" scales of turbulence are resolved. 314This filtering operation results in an extra stress-like term, $\bm{\tau}^r$, representing the effect of unresolved (or "subgrid" scale) structures in the flow. 315Denoting the filtering operation by $\overline \cdot$, the LES governing equations are: 316 317$$ 318\frac{\partial \bm{\overline q}}{\partial t} + \nabla \cdot \bm{\overline F}(\bm{\overline q}) -S(\bm{\overline q}) = 0 \, , 319$$ (eq-vector-les) 320 321where 322 323$$ 324\bm{\overline F}(\bm{\overline q}) = 325\bm{F} (\bm{\overline q}) + 326\begin{pmatrix} 327 0\\ 328 \bm{\tau}^r \\ 329 \bm{u} \cdot \bm{\tau}^r 330\end{pmatrix} 331$$ (eq-les-flux) 332 333More details on deriving the above expression, filtering, and large eddy simulation can be found in {cite}`popeTurbulentFlows2000`. 334To close the problem, the subgrid stress must be defined. 335For implicit LES, the subgrid stress is set to zero and the numerical properties of the discretized system are assumed to account for the effect of subgrid scale structures on the filtered solution field. 336For explicit LES, it is defined by a subgrid stress model. 337 338(sgs-dd-model)= 339#### Data-driven SGS Model 340 341The data-driven SGS model implemented here uses a small neural network to compute the SGS term. 342The SGS tensor is calculated at nodes using an $L^2$ projection of the velocity gradient and grid anisotropy tensor, and then interpolated onto quadrature points. 343More details regarding the theoretical background of the model can be found in {cite}`prakashDDSGS2022` and {cite}`prakashDDSGSAnisotropic2022`. 344 345The neural network itself consists of 1 hidden layer and 20 neurons, using Leaky ReLU as its activation function. 346The slope parameter for the Leaky ReLU function is set via `-sgs_model_dd_leakyrelu_alpha`. 347The outputs of the network are assumed to be normalized on a min-max scale, so they must be rescaled by the original min-max bounds. 348Parameters for the neural network are put into files in a directory found in `-sgs_model_dd_parameter_dir`. 349These files store the network weights (`w1.dat` and `w2.dat`), biases (`b1.dat` and `b2.dat`), and scaling parameters (`OutScaling.dat`). 350The first row of each files stores the number of columns and rows in each file. 351Note that the weight coefficients are assumed to be in column-major order. 352This is done to keep consistent with legacy file compatibility. 353 354:::{note} 355The current data-driven model parameters are not accurate and are for regression testing only. 356::: 357 358##### Data-driven Model Using External Libraries 359 360There are two different modes for using the data-driven model: fused and sequential. 361 362In fused mode, the input processing, model inference, and output handling were all done in a single CeedOperator. 363Conversely, sequential mode has separate function calls/CeedOperators for input creation, model inference, and output handling. 364By separating the three steps to the model evaluation, the sequential mode allows for functions calling external libraries to be used for the model inference step. 365This however is slower than the fused kernel, but this requires a native libCEED inference implementation. 366 367To use the fused mode, set `-sgs_model_dd_use_fused true`. 368To use the sequential mode, set the same flag to `false`. 369 370(differential-filtering)= 371### Differential Filtering 372 373There is the option to filter the solution field using differential filtering. 374This was first proposed in {cite}`germanoDiffFilterLES1986`, using an inverse Hemholtz operator. 375The strong form of the differential equation is 376 377$$ 378\overline{\phi} - \nabla \cdot (\beta (\bm{D}\bm{\Delta})^2 \nabla \overline{\phi} ) = \phi 379$$ 380 381for $\phi$ the scalar solution field we want to filter, $\overline \phi$ the filtered scalar solution field, $\bm{\Delta} \in \mathbb{R}^{3 \times 3}$ a symmetric positive-definite rank 2 tensor defining the width of the filter, $\bm{D}$ is the filter width scaling tensor (also a rank 2 SPD tensor), and $\beta$ is a kernel scaling factor on the filter tensor. 382This admits the weak form: 383 384$$ 385\int_\Omega \left( v \overline \phi + \beta \nabla v \cdot (\bm{D}\bm{\Delta})^2 \nabla \overline \phi \right) \,d\Omega 386- \cancel{\int_{\partial \Omega} \beta v \nabla \overline \phi \cdot (\bm{D}\bm{\Delta})^2 \bm{\hat{n}} \,d\partial\Omega} = 387\int_\Omega v \phi \, , \; \forall v \in \mathcal{V}_p 388$$ 389 390The boundary integral resulting from integration-by-parts is crossed out, as we assume that $(\bm{D}\bm{\Delta})^2 = \bm{0} \Leftrightarrow \overline \phi = \phi$ at boundaries (this is reasonable at walls, but for convenience elsewhere). 391 392#### Filter width tensor, Δ 393For homogenous filtering, $\bm{\Delta}$ is defined as the identity matrix. 394 395:::{note} 396It is common to denote a filter width dimensioned relative to the radial distance of the filter kernel. 397Note here we use the filter *diameter* instead, as that feels more natural (albeit mathematically less convenient). 398For example, under this definition a box filter would be defined as: 399 400$$ 401B(\Delta; \bm{r}) = 402\begin{cases} 4031 & \Vert \bm{r} \Vert \leq \Delta/2 \\ 4040 & \Vert \bm{r} \Vert > \Delta/2 405\end{cases} 406$$ 407::: 408 409For inhomogeneous anisotropic filtering, we use the finite element grid itself to define $\bm{\Delta}$. 410This is set via `-diff_filter_grid_based_width`. 411Specifically, we use the filter width tensor defined in {cite}`prakashDDSGSAnisotropic2022`. 412For finite element grids, the filter width tensor is most conveniently defined by $\bm{\Delta} = \bm{g}^{-1/2}$ where $\bm g = \nabla_{\bm x} \bm{X} \cdot \nabla_{\bm x} \bm{X}$ is the metric tensor. 413 414#### Filter width scaling tensor, $\bm{D}$ 415The filter width tensor $\bm{\Delta}$, be it defined from grid based sources or just the homogenous filtering, can be scaled anisotropically. 416The coefficients for that anisotropic scaling are given by `-diff_filter_width_scaling`, denoted here by $c_1, c_2, c_3$. 417The definition for $\bm{D}$ then becomes 418 419$$ 420\bm{D} = 421\begin{bmatrix} 422 c_1 & 0 & 0 \\ 423 0 & c_2 & 0 \\ 424 0 & 0 & c_3 \\ 425\end{bmatrix} 426$$ 427 428In the case of $\bm{\Delta}$ being defined as homogenous, $\bm{D}\bm{\Delta}$ means that $\bm{D}$ effectively sets the filter width. 429 430The filtering at the wall may also be damped, to smoothly meet the $\overline \phi = \phi$ boundary condition at the wall. 431The selected damping function for this is the van Driest function {cite}`vandriestWallDamping1956`: 432 433$$ 434\zeta = 1 - \exp\left(-\frac{y^+}{A^+}\right) 435$$ 436 437where $y^+$ is the wall-friction scaled wall-distance ($y^+ = y u_\tau / \nu = y/\delta_\nu$), $A^+$ is some wall-friction scaled scale factor, and $\zeta$ is the damping coefficient. 438For this implementation, we assume that $\delta_\nu$ is constant across the wall and is defined by `-diff_filter_friction_length`. 439$A^+$ is defined by `-diff_filter_damping_constant`. 440 441To apply this scalar damping coefficient to the filter width tensor, we construct the wall-damping tensor from it. 442The construction implemented currently limits damping in the wall parallel directions to be no less than the original filter width defined by $\bm{\Delta}$. 443The wall-normal filter width is allowed to be damped to a zero filter width. 444It is currently assumed that the second component of the filter width tensor is in the wall-normal direction. 445Under these assumptions, $\bm{D}$ then becomes: 446 447$$ 448\bm{D} = 449\begin{bmatrix} 450 \max(1, \zeta c_1) & 0 & 0 \\ 451 0 & \zeta c_2 & 0 \\ 452 0 & 0 & \max(1, \zeta c_3) \\ 453\end{bmatrix} 454$$ 455 456#### Filter kernel scaling, β 457While we define $\bm{D}\bm{\Delta}$ to be of a certain physical filter width, the actual width of the implied filter kernel is quite larger than "normal" kernels. 458To account for this, we use $\beta$ to scale the filter tensor to the appropriate size, as is done in {cite}`bullExplicitFilteringExact2016`. 459To match the "size" of a normal kernel to our differential kernel, we attempt to have them match second order moments with respect to the prescribed filter width. 460To match the box and Gaussian filters "sizes", we use $\beta = 1/10$ and $\beta = 1/6$, respectively. 461$\beta$ can be set via `-diff_filter_kernel_scaling`. 462 463### *In Situ* Machine-Learning Model Training 464Training machine-learning models normally uses *a priori* (already gathered) data stored on disk. 465This is computationally inefficient, particularly as the scale of the problem grows and the data that is saved to disk reduces to a small percentage of the total data generated by a simulation. 466One way of working around this to to train a model on data coming from an ongoing simulation, known as *in situ* (in place) learning. 467 468This is implemented in the code using [SmartSim](https://www.craylabs.org/docs/overview.html). 469Briefly, the fluid simulation will periodically place data for training purposes into a database that a separate process uses to train a model. 470The database used by SmartSim is [Redis](https://redis.com/modules/redis-ai/) and the library to connect to the database is called [SmartRedis](https://www.craylabs.org/docs/smartredis.html). 471More information about how to utilize this code in a SmartSim configuration can be found on [SmartSim's website](https://www.craylabs.org/docs/overview.html). 472 473To use this code in a SmartSim *in situ* setup, first the code must be built with SmartRedis enabled. 474This is done by specifying the installation directory of SmartRedis using the `SMARTREDIS_DIR` environment variable when building: 475 476``` 477make SMARTREDIS_DIR=~/software/smartredis/install 478``` 479 480#### SGS Data-Driven Model *In Situ* Training 481Currently the code is only setup to do *in situ* training for the SGS data-driven model. 482Training data is split into the model inputs and outputs. 483The model inputs are calculated as the same model inputs in the SGS Data-Driven model described {ref}`earlier<sgs-dd-model>`. 484The model outputs (or targets in the case of training) are the subgrid stresses. 485Both the inputs and outputs are computed from a filtered velocity field, which is calculated via {ref}`differential-filtering`. 486The settings for the differential filtering used during training are described in {ref}`differential-filtering`. 487 488The SGS *in situ* training can be enabled using the `-sgs_train_enable` flag. 489Data can be processed and placed into the database periodically. 490The interval between is controlled by `-sgs_train_write_data_interval`. 491There's also the choice of whether to add new training data on each database write or to overwrite the old data with new data. 492This is controlled by `-sgs_train_overwrite_data`. 493 494The database may also be located on the same node as a MPI rank (collocated) or located on a separate node (distributed). 495It's necessary to know how many ranks are associated with each collocated database, which is set by `-smartsim_collocated_database_num_ranks`. 496 497(problem-advection)= 498## Advection 499 500A simplified version of system {eq}`eq-ns`, only accounting for the transport of total energy, is given by 501 502$$ 503\frac{\partial E}{\partial t} + \nabla \cdot (\bm{u} E ) = 0 \, , 504$$ (eq-advection) 505 506with $\bm{u}$ the vector velocity field. In this particular test case, a blob of total energy (defined by a characteristic radius $r_c$) is transported by two different wind types. 507 508- **Rotation** 509 510 In this case, a uniform circular velocity field transports the blob of total energy. 511 We have solved {eq}`eq-advection` applying zero energy density $E$, and no-flux for $\bm{u}$ on the boundaries. 512 513- **Translation** 514 515 In this case, a background wind with a constant rectilinear velocity field, enters the domain and transports the blob of total energy out of the domain. 516 517 For the inflow boundary conditions, a prescribed $E_{wind}$ is applied weakly on the inflow boundaries such that the weak form boundary integral in {eq}`eq-weak-vector-ns` is defined as 518 519 $$ 520 \int_{\partial \Omega_{inflow}} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS = \int_{\partial \Omega_{inflow}} \bm v \, E_{wind} \, \bm u \cdot \widehat{\bm{n}} \,dS \, , 521 $$ 522 523 For the outflow boundary conditions, we have used the current values of $E$, following {cite}`papanastasiou1992outflow` which extends the validity of the weak form of the governing equations to the outflow instead of replacing them with unknown essential or natural boundary conditions. 524 The weak form boundary integral in {eq}`eq-weak-vector-ns` for outflow boundary conditions is defined as 525 526 $$ 527 \int_{\partial \Omega_{outflow}} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS = \int_{\partial \Omega_{outflow}} \bm v \, E \, \bm u \cdot \widehat{\bm{n}} \,dS \, , 528 $$ 529 530(problem-euler-vortex)= 531 532## Isentropic Vortex 533 534Three-dimensional Euler equations, which are simplified and nondimensionalized version of system {eq}`eq-ns` and account only for the convective fluxes, are given by 535 536$$ 537\begin{aligned} 538\frac{\partial \rho}{\partial t} + \nabla \cdot \bm{U} &= 0 \\ 539\frac{\partial \bm{U}}{\partial t} + \nabla \cdot \left( \frac{\bm{U} \otimes \bm{U}}{\rho} + P \bm{I}_3 \right) &= 0 \\ 540\frac{\partial E}{\partial t} + \nabla \cdot \left( \frac{(E + P)\bm{U}}{\rho} \right) &= 0 \, , \\ 541\end{aligned} 542$$ (eq-euler) 543 544Following the setup given in {cite}`zhang2011verification`, the mean flow for this problem is $\rho=1$, $P=1$, $T=P/\rho= 1$ (Specific Gas Constant, $R$, is 1), and $\bm{u}=(u_1,u_2,0)$ while the perturbation $\delta \bm{u}$, and $\delta T$ are defined as 545 546$$ 547\begin{aligned} (\delta u_1, \, \delta u_2) &= \frac{\epsilon}{2 \pi} \, e^{0.5(1-r^2)} \, (-\bar{y}, \, \bar{x}) \, , \\ \delta T &= - \frac{(\gamma-1) \, \epsilon^2}{8 \, \gamma \, \pi^2} \, e^{1-r^2} \, , \\ \end{aligned} 548$$ 549 550where $(\bar{x}, \, \bar{y}) = (x-x_c, \, y-y_c)$, $(x_c, \, y_c)$ represents the center of the domain, $r^2=\bar{x}^2 + \bar{y}^2$, and $\epsilon$ is the vortex strength ($\epsilon$ < 10). 551There is no perturbation in the entropy $S=P/\rho^\gamma$ ($\delta S=0)$. 552 553(problem-shock-tube)= 554 555## Shock Tube 556 557This test problem is based on Sod's Shock Tube (from{cite}`sodshocktubewiki`), a canonical test case for discontinuity capturing in one dimension. For this problem, the three-dimensional Euler equations are formulated exactly as in the Isentropic Vortex problem. The default initial conditions are $P=1$, $\rho=1$ for the driver section and $P=0.1$, $\rho=0.125$ for the driven section. The initial velocity is zero in both sections. Symmetry boundary conditions are applied to the side walls and wall boundary conditions are applied at the end walls. 558 559SU upwinding and discontinuity capturing have been implemented into the explicit timestepping operator for this problem. Discontinuity capturing is accomplished using a modified version of the $YZ\beta$ operator described in {cite}`tezduyar2007yzb`. This discontinuity capturing scheme involves the introduction of a dissipation term of the form 560 561$$ 562\int_{\Omega} \nu_{SHOCK} \nabla \bm v \!:\! \nabla \bm q dV 563$$ 564 565The shock capturing viscosity is implemented following the first formulation described in {cite}`tezduyar2007yzb`. The characteristic velocity $u_{cha}$ is taken to be the acoustic speed while the reference density $\rho_{ref}$ is just the local density. Shock capturing viscosity is defined by the following 566 567$$ 568\nu_{SHOCK} = \tau_{SHOCK} u_{cha}^2 569$$ 570 571where, 572 573$$ 574\tau_{SHOCK} = \frac{h_{SHOCK}}{2u_{cha}} \left( \frac{ \,|\, \nabla \rho \,|\, h_{SHOCK}}{\rho_{ref}} \right)^{\beta} 575$$ 576 577$\beta$ is a tuning parameter set between 1 (smoother shocks) and 2 (sharper shocks. The parameter $h_{SHOCK}$ is a length scale that is proportional to the element length in the direction of the density gradient unit vector. This density gradient unit vector is defined as $\hat{\bm j} = \frac{\nabla \rho}{|\nabla \rho|}$. The original formulation of Tezduyar and Senga relies on the shape function gradient to define the element length scale, but this gradient is not available to qFunctions in libCEED. To avoid this problem, $h_{SHOCK}$ is defined in the current implementation as 578 579$$ 580h_{SHOCK} = 2 \left( C_{YZB} \,|\, \bm p \,|\, \right)^{-1} 581$$ 582 583where 584 585$$ 586p_k = \hat{j}_i \frac{\partial \xi_i}{x_k} 587$$ 588 589The constant $C_{YZB}$ is set to 0.1 for piecewise linear elements in the current implementation. Larger values approaching unity are expected with more robust stabilization and implicit timestepping. 590 591(problem-density-current)= 592 593## Gaussian Wave 594This test case is taken/inspired by that presented in {cite}`mengaldoCompressibleBC2014`. It is intended to test non-reflecting/Riemann boundary conditions. It's primarily intended for Euler equations, but has been implemented for the Navier-Stokes equations here for flexibility. 595 596The problem has a perturbed initial condition and lets it evolve in time. The initial condition contains a Gaussian perturbation in the pressure field: 597 598$$ 599\begin{aligned} 600\rho &= \rho_\infty\left(1+A\exp\left(\frac{-(\bar{x}^2 + \bar{y}^2)}{2\sigma^2}\right)\right) \\ 601\bm{U} &= \bm U_\infty \\ 602E &= \frac{p_\infty}{\gamma -1}\left(1+A\exp\left(\frac{-(\bar{x}^2 + \bar{y}^2)}{2\sigma^2}\right)\right) + \frac{\bm U_\infty \cdot \bm U_\infty}{2\rho_\infty}, 603\end{aligned} 604$$ 605 606where $A$ and $\sigma$ are the amplitude and width of the perturbation, respectively, and $(\bar{x}, \bar{y}) = (x-x_e, y-y_e)$ is the distance to the epicenter of the perturbation, $(x_e, y_e)$. 607The simulation produces a strong acoustic wave and leaves behind a cold thermal bubble that advects at the fluid velocity. 608 609The boundary conditions are freestream in the x and y directions. When using an HLL (Harten, Lax, van Leer) Riemann solver {cite}`toro2009` (option `-freestream_riemann hll`), the acoustic waves exit the domain cleanly, but when the thermal bubble reaches the boundary, it produces strong thermal oscillations that become acoustic waves reflecting into the domain. 610This problem can be fixed using a more sophisticated Riemann solver such as HLLC {cite}`toro2009` (option `-freestream_riemann hllc`, which is default), which is a linear constant-pressure wave that transports temperature and transverse momentum at the fluid velocity. 611 612## Vortex Shedding - Flow past Cylinder 613This test case, based on {cite}`shakib1991femcfd`, is an example of using an externally provided mesh from Gmsh. 614A cylinder with diameter $D=1$ is centered at $(0,0)$ in a computational domain $-4.5 \leq x \leq 15.5$, $-4.5 \leq y \leq 4.5$. 615We solve this as a 3D problem with (default) one element in the $z$ direction. 616The domain is filled with an ideal gas at rest (zero velocity) with temperature 24.92 and pressure 7143. 617The viscosity is 0.01 and thermal conductivity is 14.34 to maintain a Prandtl number of 0.71, which is typical for air. 618At time $t=0$, this domain is subjected to freestream boundary conditions at the inflow (left) and Riemann-type outflow on the right, with exterior reference state at velocity $(1, 0, 0)$ giving Reynolds number $100$ and Mach number $0.01$. 619A symmetry (adiabatic free slip) condition is imposed at the top and bottom boundaries $(y = \pm 4.5)$ (zero normal velocity component, zero heat-flux). 620The cylinder wall is an adiabatic (no heat flux) no-slip boundary condition. 621As we evolve in time, eddies appear past the cylinder leading to a vortex shedding known as the vortex street, with shedding period of about 6. 622 623The Gmsh input file, `examples/fluids/meshes/cylinder.geo` is parametrized to facilitate experimenting with similar configurations. 624The Strouhal number (nondimensional shedding frequency) is sensitive to the size of the computational domain and boundary conditions. 625 626Forces on the cylinder walls are computed using the "reaction force" method, which is variationally consistent with the volume operator. 627Given the force components $\bm F = (F_x, F_y, F_z)$ and surface area $S = \pi D L_z$ where $L_z$ is the spanwise extent of the domain, we define the coefficients of lift and drag as 628 629$$ 630\begin{aligned} 631C_L &= \frac{2 F_y}{\rho_\infty u_\infty^2 S} \\ 632C_D &= \frac{2 F_x}{\rho_\infty u_\infty^2 S} \\ 633\end{aligned} 634$$ 635 636where $\rho_\infty, u_\infty$ are the freestream (inflow) density and velocity respectively. 637 638## Density Current 639 640For this test problem (from {cite}`straka1993numerical`), we solve the full Navier-Stokes equations {eq}`eq-ns`, for which a cold air bubble (of radius $r_c$) drops by convection in a neutrally stratified atmosphere. 641Its initial condition is defined in terms of the Exner pressure, $\pi(\bm{x},t)$, and potential temperature, $\theta(\bm{x},t)$, that relate to the state variables via 642 643$$ 644\begin{aligned} \rho &= \frac{P_0}{( c_p - c_v)\theta(\bm{x},t)} \pi(\bm{x},t)^{\frac{c_v}{ c_p - c_v}} \, , \\ e &= c_v \theta(\bm{x},t) \pi(\bm{x},t) + \bm{u}\cdot \bm{u} /2 + g z \, , \end{aligned} 645$$ 646 647where $P_0$ is the atmospheric pressure. 648For this problem, we have used no-slip and non-penetration boundary conditions for $\bm{u}$, and no-flux for mass and energy densities. 649 650## Channel 651 652A compressible channel flow. Analytical solution given in 653{cite}`whitingStabilizedFEM1999`: 654 655$$ u_1 = u_{\max} \left [ 1 - \left ( \frac{x_2}{H}\right)^2 \right] \quad \quad u_2 = u_3 = 0$$ 656$$T = T_w \left [ 1 + \frac{Pr \hat{E}c}{3} \left \{1 - \left(\frac{x_2}{H}\right)^4 \right \} \right]$$ 657$$p = p_0 - \frac{2\rho_0 u_{\max}^2 x_1}{Re_H H}$$ 658 659where $H$ is the channel half-height, $u_{\max}$ is the center velocity, $T_w$ is the temperature at the wall, $Pr=\frac{\mu}{c_p \kappa}$ is the Prandlt number, $\hat E_c = \frac{u_{\max}^2}{c_p T_w}$ is the modified Eckert number, and $Re_h = \frac{u_{\max}H}{\nu}$ is the Reynolds number. 660 661Boundary conditions are periodic in the streamwise direction, and no-slip and non-penetration boundary conditions at the walls. 662The flow is driven by a body force determined analytically from the fluid properties and setup parameters $H$ and $u_{\max}$. 663 664## Flat Plate Boundary Layer 665 666### Laminar Boundary Layer - Blasius 667 668Simulation of a laminar boundary layer flow, with the inflow being prescribed 669by a [Blasius similarity 670solution](https://en.wikipedia.org/wiki/Blasius_boundary_layer). At the inflow, 671the velocity is prescribed by the Blasius soution profile, density is set 672constant, and temperature is allowed to float. Using `weakT: true`, density is 673allowed to float and temperature is set constant. At the outlet, a user-set 674pressure is used for pressure in the inviscid flux terms (all other inviscid 675flux terms use interior solution values). The wall is a no-slip, 676no-penetration, no-heat flux condition. The top of the domain is treated as an 677outflow and is tilted at a downward angle to ensure that flow is always exiting 678it. 679 680### Turbulent Boundary Layer 681 682Simulating a turbulent boundary layer without modeling the turbulence requires 683resolving the turbulent flow structures. These structures may be introduced 684into the simulations either by allowing a laminar boundary layer naturally 685transition to turbulence, or imposing turbulent structures at the inflow. The 686latter approach has been taken here, specifically using a *synthetic turbulence 687generation* (STG) method. 688 689#### Synthetic Turbulence Generation (STG) Boundary Condition 690 691We use the STG method described in 692{cite}`shurSTG2014`. Below follows a re-description of the formulation to match 693the present notation, and then a description of the implementation and usage. 694 695##### Equation Formulation 696 697$$ 698\bm{u}(\bm{x}, t) = \bm{\overline{u}}(\bm{x}) + \bm{C}(\bm{x}) \cdot \bm{v}' 699$$ 700 701$$ 702\begin{aligned} 703\bm{v}' &= 2 \sqrt{3/2} \sum^N_{n=1} \sqrt{q^n(\bm{x})} \bm{\sigma}^n \cos(\kappa^n \bm{d}^n \cdot \bm{\hat{x}}^n(\bm{x}, t) + \phi^n ) \\ 704\bm{\hat{x}}^n &= \left[(x - U_0 t)\max(2\kappa_{\min}/\kappa^n, 0.1) , y, z \right]^T 705\end{aligned} 706$$ 707 708Here, we define the number of wavemodes $N$, set of random numbers $ \{\bm{\sigma}^n, 709\bm{d}^n, \phi^n\}_{n=1}^N$, the Cholesky decomposition of the Reynolds stress 710tensor $\bm{C}$ (such that $\bm{R} = \bm{CC}^T$ ), bulk velocity $U_0$, 711wavemode amplitude $q^n$, wavemode frequency $\kappa^n$, and $\kappa_{\min} = 7120.5 \min_{\bm{x}} (\kappa_e)$. 713 714$$ 715\kappa_e = \frac{2\pi}{\min(2d_w, 3.0 l_t)} 716$$ 717 718where $l_t$ is the turbulence length scale, and $d_w$ is the distance to the 719nearest wall. 720 721 722The set of wavemode frequencies is defined by a geometric distribution: 723 724$$ 725\kappa^n = \kappa_{\min} (1 + \alpha)^{n-1} \ , \quad \forall n=1, 2, ... , N 726$$ 727 728The wavemode amplitudes $q^n$ are defined by a model energy spectrum $E(\kappa)$: 729 730$$ 731q^n = \frac{E(\kappa^n) \Delta \kappa^n}{\sum^N_{n=1} E(\kappa^n)\Delta \kappa^n} \ ,\quad \Delta \kappa^n = \kappa^n - \kappa^{n-1} 732$$ 733 734$$ E(\kappa) = \frac{(\kappa/\kappa_e)^4}{[1 + 2.4(\kappa/\kappa_e)^2]^{17/6}} f_\eta f_{\mathrm{cut}} $$ 735 736$$ 737f_\eta = \exp \left[-(12\kappa /\kappa_\eta)^2 \right], \quad 738f_\mathrm{cut} = \exp \left( - \left [ \frac{4\max(\kappa-0.9\kappa_\mathrm{cut}, 0)}{\kappa_\mathrm{cut}} \right]^3 \right) 739$$ 740 741$\kappa_\eta$ represents turbulent dissipation frequency, and is given as $2\pi 742(\nu^3/\varepsilon)^{-1/4}$ with $\nu$ the kinematic viscosity and 743$\varepsilon$ the turbulent dissipation. $\kappa_\mathrm{cut}$ approximates the 744effective cutoff frequency of the mesh (viewing the mesh as a filter on 745solution over $\Omega$) and is given by: 746 747$$ 748\kappa_\mathrm{cut} = \frac{2\pi}{ 2\min\{ [\max(h_y, h_z, 0.3h_{\max}) + 0.1 d_w], h_{\max} \} } 749$$ 750 751The enforcement of the boundary condition is identical to the blasius inflow; 752it weakly enforces velocity, with the option of weakly enforcing either density 753or temperature using the the `-weakT` flag. 754 755##### Initialization Data Flow 756 757Data flow for initializing function (which creates the context data struct) is 758given below: 759```{mermaid} 760flowchart LR 761 subgraph STGInflow.dat 762 y 763 lt[l_t] 764 eps 765 Rij[R_ij] 766 ubar 767 end 768 769 subgraph STGRand.dat 770 rand[RN Set]; 771 end 772 773 subgraph User Input 774 u0[U0]; 775 end 776 777 subgraph init[Create Context Function] 778 ke[k_e] 779 N; 780 end 781 lt --Calc-->ke --Calc-->kn 782 y --Calc-->ke 783 784 subgraph context[Context Data] 785 yC[y] 786 randC[RN Set] 787 Cij[C_ij] 788 u0 --Copy--> u0C[U0] 789 kn[k^n]; 790 ubarC[ubar] 791 ltC[l_t] 792 epsC[eps] 793 end 794 ubar --Copy--> ubarC; 795 y --Copy--> yC; 796 lt --Copy--> ltC; 797 eps --Copy--> epsC; 798 799 rand --Copy--> randC; 800 rand --> N --Calc--> kn; 801 Rij --Calc--> Cij[C_ij] 802``` 803 804This is done once at runtime. The spatially-varying terms are then evaluated at 805each quadrature point on-the-fly, either by interpolation (for $l_t$, 806$\varepsilon$, $C_{ij}$, and $\overline{\bm u}$) or by calculation (for $q^n$). 807 808The `STGInflow.dat` file is a table of values at given distances from the wall. 809These values are then interpolated to a physical location (node or quadrature 810point). It has the following format: 811``` 812[Total number of locations] 14 813[d_w] [u_1] [u_2] [u_3] [R_11] [R_22] [R_33] [R_12] [R_13] [R_23] [sclr_1] [sclr_2] [l_t] [eps] 814``` 815where each `[ ]` item is a number in scientific notation (ie. `3.1415E0`), and `sclr_1` and 816`sclr_2` are reserved for turbulence modeling variables. They are not used in 817this example. 818 819The `STGRand.dat` file is the table of the random number set, $\{\bm{\sigma}^n, 820\bm{d}^n, \phi^n\}_{n=1}^N$. It has the format: 821``` 822[Number of wavemodes] 7 823[d_1] [d_2] [d_3] [phi] [sigma_1] [sigma_2] [sigma_3] 824``` 825 826The following table is presented to help clarify the dimensionality of the 827numerous terms in the STG formulation. 828 829| Math | Label | $f(\bm{x})$? | $f(n)$? | 830| ----------------- | -------- | -------------- | --------- | 831| $ \{\bm{\sigma}^n, \bm{d}^n, \phi^n\}_{n=1}^N$ | RN Set | No | Yes | 832| $\bm{\overline{u}}$ | ubar | Yes | No | 833| $U_0$ | U0 | No | No | 834| $l_t$ | l_t | Yes | No | 835| $\varepsilon$ | eps | Yes | No | 836| $\bm{R}$ | R_ij | Yes | No | 837| $\bm{C}$ | C_ij | Yes | No | 838| $q^n$ | q^n | Yes | Yes | 839| $\{\kappa^n\}_{n=1}^N$ | k^n | No | Yes | 840| $h_i$ | h_i | Yes | No | 841| $d_w$ | d_w | Yes | No | 842 843#### Internal Damping Layer (IDL) 844The STG inflow boundary condition creates large amplitude acoustic waves. 845We use an internal damping layer (IDL) to damp them out without disrupting the synthetic structures developing into natural turbulent structures. This implementation was inspired from 846{cite}`shurSTG2014`, but is implemented here as a ramped volumetric forcing 847term, similar to a sponge layer (see 8.4.2.4 in {cite}`colonius2023turbBC` for example). It takes the following form: 848 849$$ 850S(\bm{q}) = -\sigma(\bm{x})\left.\frac{\partial \bm{q}}{\partial \bm{Y}}\right\rvert_{\bm{q}} \bm{Y}' 851$$ 852 853where $\bm{Y}' = [P - P_\mathrm{ref}, \bm{0}, 0]^T$, and $\sigma(\bm{x})$ is a 854linear ramp starting at `-idl_start` with length `-idl_length` and an amplitude 855of inverse `-idl_decay_rate`. The damping is defined in terms of a pressure-primitive 856anomaly $\bm Y'$ converted to conservative source using $\partial 857\bm{q}/\partial \bm{Y}\rvert_{\bm{q}}$, which is linearized about the current 858flow state. $P_\mathrm{ref}$ is defined via the `-reference_pressure` flag. 859 860### Meshing 861 862The flat plate boundary layer example has custom meshing features to better resolve the flow when using a generated box mesh. 863These meshing features modify the nodal layout of the default, equispaced box mesh and are enabled via `-mesh_transform platemesh`. 864One of those is tilting the top of the domain, allowing for it to be a outflow boundary condition. 865The angle of this tilt is controlled by `-platemesh_top_angle`. 866 867The primary meshing feature is the ability to grade the mesh, providing better 868resolution near the wall. There are two methods to do this; algorithmically, or 869specifying the node locations via a file. Algorithmically, a base node 870distribution is defined at the inlet (assumed to be $\min(x)$) and then 871linearly stretched/squeezed to match the slanted top boundary condition. Nodes 872are placed such that `-platemesh_Ndelta` elements are within 873`-platemesh_refine_height` of the wall. They are placed such that the element 874height matches a geometric growth ratio defined by `-platemesh_growth`. The 875remaining elements are then distributed from `-platemesh_refine_height` to the 876top of the domain linearly in logarithmic space. 877 878Alternatively, a file may be specified containing the locations of each node. 879The file should be newline delimited, with the first line specifying the number 880of points and the rest being the locations of the nodes. The node locations 881used exactly at the inlet (assumed to be $\min(x)$) and linearly 882stretched/squeezed to match the slanted top boundary condition. The file is 883specified via `-platemesh_y_node_locs_path`. If this flag is given an empty 884string, then the algorithmic approach will be performed. 885 886## Taylor-Green Vortex 887 888This problem is really just an initial condition, the [Taylor-Green Vortex](https://en.wikipedia.org/wiki/Taylor%E2%80%93Green_vortex): 889 890$$ 891\begin{aligned} 892u &= V_0 \sin(\hat x) \cos(\hat y) \sin(\hat z) \\ 893v &= -V_0 \cos(\hat x) \sin(\hat y) \sin(\hat z) \\ 894w &= 0 \\ 895p &= p_0 + \frac{\rho_0 V_0^2}{16} \left ( \cos(2 \hat x) + \cos(2 \hat y)\right) \left( \cos(2 \hat z) + 2 \right) \\ 896\rho &= \frac{p}{R T_0} \\ 897\end{aligned} 898$$ 899 900where $\hat x = 2 \pi x / L$ for $L$ the length of the domain in that specific direction. 901This coordinate modification is done to transform a given grid onto a domain of $x,y,z \in [0, 2\pi)$. 902 903This initial condition is traditionally given for the incompressible Navier-Stokes equations. 904The reference state is selected using the `-reference_{velocity,pressure,temperature}` flags (Euclidean norm of `-reference_velocity` is used for $V_0$). 905