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 281For Advection-Diffusion, we use a modified version of the formulation for Navier-Stokes: 282 283$$ 284\tau = \left [ \left(\frac{2 C_t}{\Delta t}\right)^2 285+ \frac{\bm u \cdot (\bm u \cdot \bm g)}{C_a} 286+ \frac{\kappa^2 \Vert \bm g \Vert_F ^2}{C_d} \right]^{-1/2} 287$$ 288for $C_t$, $C_a$, $C_d$ being some scaling coefficients. 289Otherwise, $C_a$ is set via `-Ctau_a` and $C_t$ via `-Ctau_t`. 290 291In the Euler code, we follow {cite}`hughesetal2010` in defining a $3\times 3$ diagonal stabilization according to spatial criterion 2 (equation 27) as follows. 292 293$$ 294\tau_{ii} = c_{\tau} \frac{2 \xi(\mathrm{Pe})}{(\lambda_{\max \text{abs}})_i \lVert \nabla_{x_i} \bm X \rVert} 295$$ (eq-tau-conservative) 296 297where $c_{\tau}$ 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 $i$. 298The 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. 299The complete set of eigenvalues of the Euler flux Jacobian in direction $i$ are (e.g., {cite}`toro2009`) 300 301$$ 302\Lambda_i = [u_i - a, u_i, u_i, u_i, u_i+a], 303$$ (eq-eigval-advdiff) 304 305where $u_i = \bm u \cdot \hat{\bm n}_i$ is the velocity component in direction $i$ and $a = \sqrt{\gamma P/\rho}$ is the sound speed for ideal gasses. 306Note 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. 307The fastest wave speed in direction $i$ is thus 308 309$$ 310\lambda_{\max \text{abs}} \Bigl( \frac{\partial \bm F_{\text{adv}}}{\partial \bm q} \cdot \hat{\bm n}_i \Bigr) = |u_i| + a 311$$ (eq-wavespeed) 312 313Note 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. 314 315::: 316 317Currently, this demo provides three types of problems/physical models that can be selected at run time via the option `-problem`. 318{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. 319 320### Subgrid Stress Modeling 321 322When 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. 323This is known as large-eddy simulation (LES), as only the "large" scales of turbulence are resolved. 324This filtering operation results in an extra stress-like term, $\bm{\tau}^r$, representing the effect of unresolved (or "subgrid" scale) structures in the flow. 325Denoting the filtering operation by $\overline \cdot$, the LES governing equations are: 326 327$$ 328\frac{\partial \bm{\overline q}}{\partial t} + \nabla \cdot \bm{\overline F}(\bm{\overline q}) -S(\bm{\overline q}) = 0 \, , 329$$ (eq-vector-les) 330 331where 332 333$$ 334\bm{\overline F}(\bm{\overline q}) = 335\bm{F} (\bm{\overline q}) + 336\begin{pmatrix} 337 0\\ 338 \bm{\tau}^r \\ 339 \bm{u} \cdot \bm{\tau}^r 340\end{pmatrix} 341$$ (eq-les-flux) 342 343More details on deriving the above expression, filtering, and large eddy simulation can be found in {cite}`popeTurbulentFlows2000`. 344To close the problem, the subgrid stress must be defined. 345For 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. 346For explicit LES, it is defined by a subgrid stress model. 347 348(sgs-dd-model)= 349#### Data-driven SGS Model 350 351The data-driven SGS model implemented here uses a small neural network to compute the SGS term. 352The 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. 353More details regarding the theoretical background of the model can be found in {cite}`prakashDDSGS2022` and {cite}`prakashDDSGSAnisotropic2022`. 354 355The neural network itself consists of 1 hidden layer and 20 neurons, using Leaky ReLU as its activation function. 356The slope parameter for the Leaky ReLU function is set via `-sgs_model_dd_leakyrelu_alpha`. 357The 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. 358Parameters for the neural network are put into files in a directory found in `-sgs_model_dd_parameter_dir`. 359These files store the network weights (`w1.dat` and `w2.dat`), biases (`b1.dat` and `b2.dat`), and scaling parameters (`OutScaling.dat`). 360The first row of each files stores the number of columns and rows in each file. 361Note that the weight coefficients are assumed to be in column-major order. 362This is done to keep consistent with legacy file compatibility. 363 364:::{note} 365The current data-driven model parameters are not accurate and are for regression testing only. 366::: 367 368##### Data-driven Model Using External Libraries 369 370There are two different modes for using the data-driven model: fused and sequential. 371 372In fused mode, the input processing, model inference, and output handling were all done in a single CeedOperator. 373Conversely, sequential mode has separate function calls/CeedOperators for input creation, model inference, and output handling. 374By 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. 375This however is slower than the fused kernel, but this requires a native libCEED inference implementation. 376 377To use the fused mode, set `-sgs_model_dd_use_fused true`. 378To use the sequential mode, set the same flag to `false`. 379 380(differential-filtering)= 381### Differential Filtering 382 383There is the option to filter the solution field using differential filtering. 384This was first proposed in {cite}`germanoDiffFilterLES1986`, using an inverse Hemholtz operator. 385The strong form of the differential equation is 386 387$$ 388\overline{\phi} - \nabla \cdot (\beta (\bm{D}\bm{\Delta})^2 \nabla \overline{\phi} ) = \phi 389$$ 390 391for $\phi$ 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. 392This admits the weak form: 393 394$$ 395\int_\Omega \left( v \overline \phi + \beta \nabla v \cdot (\bm{D}\bm{\Delta})^2 \nabla \overline \phi \right) \,d\Omega 396- \cancel{\int_{\partial \Omega} \beta v \nabla \overline \phi \cdot (\bm{D}\bm{\Delta})^2 \bm{\hat{n}} \,d\partial\Omega} = 397\int_\Omega v \phi \, , \; \forall v \in \mathcal{V}_p 398$$ 399 400The 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). 401 402#### Filter width tensor, Δ 403For homogenous filtering, $\bm{\Delta}$ is defined as the identity matrix. 404 405:::{note} 406It is common to denote a filter width dimensioned relative to the radial distance of the filter kernel. 407Note here we use the filter *diameter* instead, as that feels more natural (albeit mathematically less convenient). 408For example, under this definition a box filter would be defined as: 409 410$$ 411B(\Delta; \bm{r}) = 412\begin{cases} 4131 & \Vert \bm{r} \Vert \leq \Delta/2 \\ 4140 & \Vert \bm{r} \Vert > \Delta/2 415\end{cases} 416$$ 417::: 418 419For inhomogeneous anisotropic filtering, we use the finite element grid itself to define $\bm{\Delta}$. 420This is set via `-diff_filter_grid_based_width`. 421Specifically, we use the filter width tensor defined in {cite}`prakashDDSGSAnisotropic2022`. 422For 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. 423 424#### Filter width scaling tensor, $\bm{D}$ 425The filter width tensor $\bm{\Delta}$, be it defined from grid based sources or just the homogenous filtering, can be scaled anisotropically. 426The coefficients for that anisotropic scaling are given by `-diff_filter_width_scaling`, denoted here by $c_1, c_2, c_3$. 427The definition for $\bm{D}$ then becomes 428 429$$ 430\bm{D} = 431\begin{bmatrix} 432 c_1 & 0 & 0 \\ 433 0 & c_2 & 0 \\ 434 0 & 0 & c_3 \\ 435\end{bmatrix} 436$$ 437 438In the case of $\bm{\Delta}$ being defined as homogenous, $\bm{D}\bm{\Delta}$ means that $\bm{D}$ effectively sets the filter width. 439 440The filtering at the wall may also be damped, to smoothly meet the $\overline \phi = \phi$ boundary condition at the wall. 441The selected damping function for this is the van Driest function {cite}`vandriestWallDamping1956`: 442 443$$ 444\zeta = 1 - \exp\left(-\frac{y^+}{A^+}\right) 445$$ 446 447where $y^+$ 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. 448For this implementation, we assume that $\delta_\nu$ is constant across the wall and is defined by `-diff_filter_friction_length`. 449$A^+$ is defined by `-diff_filter_damping_constant`. 450 451To apply this scalar damping coefficient to the filter width tensor, we construct the wall-damping tensor from it. 452The construction implemented currently limits damping in the wall parallel directions to be no less than the original filter width defined by $\bm{\Delta}$. 453The wall-normal filter width is allowed to be damped to a zero filter width. 454It is currently assumed that the second component of the filter width tensor is in the wall-normal direction. 455Under these assumptions, $\bm{D}$ then becomes: 456 457$$ 458\bm{D} = 459\begin{bmatrix} 460 \max(1, \zeta c_1) & 0 & 0 \\ 461 0 & \zeta c_2 & 0 \\ 462 0 & 0 & \max(1, \zeta c_3) \\ 463\end{bmatrix} 464$$ 465 466#### Filter kernel scaling, β 467While 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. 468To account for this, we use $\beta$ to scale the filter tensor to the appropriate size, as is done in {cite}`bullExplicitFilteringExact2016`. 469To 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. 470To match the box and Gaussian filters "sizes", we use $\beta = 1/10$ and $\beta = 1/6$, respectively. 471$\beta$ can be set via `-diff_filter_kernel_scaling`. 472 473### *In Situ* Machine-Learning Model Training 474Training machine-learning models normally uses *a priori* (already gathered) data stored on disk. 475This 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. 476One way of working around this to to train a model on data coming from an ongoing simulation, known as *in situ* (in place) learning. 477 478This is implemented in the code using [SmartSim](https://www.craylabs.org/docs/overview.html). 479Briefly, the fluid simulation will periodically place data for training purposes into a database that a separate process uses to train a model. 480The 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). 481More 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). 482 483To use this code in a SmartSim *in situ* setup, first the code must be built with SmartRedis enabled. 484This is done by specifying the installation directory of SmartRedis using the `SMARTREDIS_DIR` environment variable when building: 485 486``` 487make SMARTREDIS_DIR=~/software/smartredis/install 488``` 489 490#### SGS Data-Driven Model *In Situ* Training 491Currently the code is only setup to do *in situ* training for the SGS data-driven model. 492Training data is split into the model inputs and outputs. 493The model inputs are calculated as the same model inputs in the SGS Data-Driven model described {ref}`earlier<sgs-dd-model>`. 494The model outputs (or targets in the case of training) are the subgrid stresses. 495Both the inputs and outputs are computed from a filtered velocity field, which is calculated via {ref}`differential-filtering`. 496The settings for the differential filtering used during training are described in {ref}`differential-filtering`. 497The training will create multiple sets of data per each filter width defined in `-sgs_train_filter_widths`. 498Those scalar filter widths correspond to the scaling correspond to $\bm{D} = c \bm{I}$, where $c$ is the scalar filter width. 499 500The SGS *in situ* training can be enabled using the `-sgs_train_enable` flag. 501Data can be processed and placed into the database periodically. 502The interval between is controlled by `-sgs_train_write_data_interval`. 503There's also the choice of whether to add new training data on each database write or to overwrite the old data with new data. 504This is controlled by `-sgs_train_overwrite_data`. 505 506The database may also be located on the same node as a MPI rank (collocated) or located on a separate node (distributed). 507It's necessary to know how many ranks are associated with each collocated database, which is set by `-smartsim_collocated_database_num_ranks`. 508 509(problem-advection)= 510## Advection-Diffusion 511 512A simplified version of system {eq}`eq-ns`, only accounting for the transport of total energy, is given by 513 514$$ 515\frac{\partial E}{\partial t} + \nabla \cdot (\bm{u} E ) - \kappa \nabla E = 0 \, , 516$$ (eq-advection) 517 518with $\bm{u}$ the vector velocity field and $\kappa$ the diffusion coefficient. 519In this particular test case, a blob of total energy (defined by a characteristic radius $r_c$) is transported by two different wind types. 520 521- **Rotation** 522 523 In this case, a uniform circular velocity field transports the blob of total energy. 524 We have solved {eq}`eq-advection` applying zero energy density $E$, and no-flux for $\bm{u}$ on the boundaries. 525 526- **Translation** 527 528 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. 529 530 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 531 532 $$ 533 \int_{\partial \Omega_{inflow}} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS = \int_{\partial \Omega_{inflow}} \bm v \, E_{wind} \, \bm u \cdot \widehat{\bm{n}} \,dS \, , 534 $$ 535 536 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. 537 The weak form boundary integral in {eq}`eq-weak-vector-ns` for outflow boundary conditions is defined as 538 539 $$ 540 \int_{\partial \Omega_{outflow}} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS = \int_{\partial \Omega_{outflow}} \bm v \, E \, \bm u \cdot \widehat{\bm{n}} \,dS \, , 541 $$ 542 543(problem-euler-vortex)= 544 545## Isentropic Vortex 546 547Three-dimensional Euler equations, which are simplified and nondimensionalized version of system {eq}`eq-ns` and account only for the convective fluxes, are given by 548 549$$ 550\begin{aligned} 551\frac{\partial \rho}{\partial t} + \nabla \cdot \bm{U} &= 0 \\ 552\frac{\partial \bm{U}}{\partial t} + \nabla \cdot \left( \frac{\bm{U} \otimes \bm{U}}{\rho} + P \bm{I}_3 \right) &= 0 \\ 553\frac{\partial E}{\partial t} + \nabla \cdot \left( \frac{(E + P)\bm{U}}{\rho} \right) &= 0 \, , \\ 554\end{aligned} 555$$ (eq-euler) 556 557Following 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 558 559$$ 560\begin{aligned} (\delta u_1, \, \delta u_2) &= \frac{\epsilon}{2 \pi} \, e^{0.5(1-r^2)} \, (-\bar{y}, \, \bar{x}) \, , \\ \delta T &= - \frac{(\gamma-1) \, \epsilon^2}{8 \, \gamma \, \pi^2} \, e^{1-r^2} \, , \\ \end{aligned} 561$$ 562 563where $(\bar{x}, \, \bar{y}) = (x-x_c, \, y-y_c)$, $(x_c, \, y_c)$ represents the center of the domain, $r^2=\bar{x}^2 + \bar{y}^2$, and $\epsilon$ is the vortex strength ($\epsilon$ < 10). 564There is no perturbation in the entropy $S=P/\rho^\gamma$ ($\delta S=0)$. 565 566(problem-shock-tube)= 567 568## Shock Tube 569 570This 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. 571 572SU 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 573 574$$ 575\int_{\Omega} \nu_{SHOCK} \nabla \bm v \!:\! \nabla \bm q dV 576$$ 577 578The 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 579 580$$ 581\nu_{SHOCK} = \tau_{SHOCK} u_{cha}^2 582$$ 583 584where, 585 586$$ 587\tau_{SHOCK} = \frac{h_{SHOCK}}{2u_{cha}} \left( \frac{ \,|\, \nabla \rho \,|\, h_{SHOCK}}{\rho_{ref}} \right)^{\beta} 588$$ 589 590$\beta$ 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 591 592$$ 593h_{SHOCK} = 2 \left( C_{YZB} \,|\, \bm p \,|\, \right)^{-1} 594$$ 595 596where 597 598$$ 599p_k = \hat{j}_i \frac{\partial \xi_i}{x_k} 600$$ 601 602The 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. 603 604(problem-density-current)= 605 606## Gaussian Wave 607This 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. 608 609The problem has a perturbed initial condition and lets it evolve in time. The initial condition contains a Gaussian perturbation in the pressure field: 610 611$$ 612\begin{aligned} 613\rho &= \rho_\infty\left(1+A\exp\left(\frac{-(\bar{x}^2 + \bar{y}^2)}{2\sigma^2}\right)\right) \\ 614\bm{U} &= \bm U_\infty \\ 615E &= \frac{p_\infty}{\gamma -1}\left(1+A\exp\left(\frac{-(\bar{x}^2 + \bar{y}^2)}{2\sigma^2}\right)\right) + \frac{\bm U_\infty \cdot \bm U_\infty}{2\rho_\infty}, 616\end{aligned} 617$$ 618 619where $A$ 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, $(x_e, y_e)$. 620The simulation produces a strong acoustic wave and leaves behind a cold thermal bubble that advects at the fluid velocity. 621 622The 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. 623This 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. 624 625## Vortex Shedding - Flow past Cylinder 626This test case, based on {cite}`shakib1991femcfd`, is an example of using an externally provided mesh from Gmsh. 627A cylinder with diameter $D=1$ is centered at $(0,0)$ in a computational domain $-4.5 \leq x \leq 15.5$, $-4.5 \leq y \leq 4.5$. 628We solve this as a 3D problem with (default) one element in the $z$ direction. 629The domain is filled with an ideal gas at rest (zero velocity) with temperature 24.92 and pressure 7143. 630The viscosity is 0.01 and thermal conductivity is 14.34 to maintain a Prandtl number of 0.71, which is typical for air. 631At 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 $0.01$. 632A symmetry (adiabatic free slip) condition is imposed at the top and bottom boundaries $(y = \pm 4.5)$ (zero normal velocity component, zero heat-flux). 633The cylinder wall is an adiabatic (no heat flux) no-slip boundary condition. 634As 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. 635 636The Gmsh input file, `examples/fluids/meshes/cylinder.geo` is parametrized to facilitate experimenting with similar configurations. 637The Strouhal number (nondimensional shedding frequency) is sensitive to the size of the computational domain and boundary conditions. 638 639Forces on the cylinder walls are computed using the "reaction force" method, which is variationally consistent with the volume operator. 640Given 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 641 642$$ 643\begin{aligned} 644C_L &= \frac{2 F_y}{\rho_\infty u_\infty^2 S} \\ 645C_D &= \frac{2 F_x}{\rho_\infty u_\infty^2 S} \\ 646\end{aligned} 647$$ 648 649where $\rho_\infty, u_\infty$ are the freestream (inflow) density and velocity respectively. 650 651## Density Current 652 653For 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. 654Its 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 655 656$$ 657\begin{aligned} \rho &= \frac{P_0}{( c_p - c_v)\theta(\bm{x},t)} \pi(\bm{x},t)^{\frac{c_v}{ c_p - c_v}} \, , \\ e &= c_v \theta(\bm{x},t) \pi(\bm{x},t) + \bm{u}\cdot \bm{u} /2 + g z \, , \end{aligned} 658$$ 659 660where $P_0$ is the atmospheric pressure. 661For this problem, we have used no-slip and non-penetration boundary conditions for $\bm{u}$, and no-flux for mass and energy densities. 662 663## Channel 664 665A compressible channel flow. Analytical solution given in 666{cite}`whitingStabilizedFEM1999`: 667 668$$ u_1 = u_{\max} \left [ 1 - \left ( \frac{x_2}{H}\right)^2 \right] \quad \quad u_2 = u_3 = 0$$ 669$$T = T_w \left [ 1 + \frac{Pr \hat{E}c}{3} \left \{1 - \left(\frac{x_2}{H}\right)^4 \right \} \right]$$ 670$$p = p_0 - \frac{2\rho_0 u_{\max}^2 x_1}{Re_H H}$$ 671 672where $H$ 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. 673 674Boundary conditions are periodic in the streamwise direction, and no-slip and non-penetration boundary conditions at the walls. 675The flow is driven by a body force determined analytically from the fluid properties and setup parameters $H$ and $u_{\max}$. 676 677## Flat Plate Boundary Layer 678 679### Laminar Boundary Layer - Blasius 680 681Simulation of a laminar boundary layer flow, with the inflow being prescribed 682by a [Blasius similarity 683solution](https://en.wikipedia.org/wiki/Blasius_boundary_layer). At the inflow, 684the velocity is prescribed by the Blasius soution profile, density is set 685constant, and temperature is allowed to float. Using `weakT: true`, density is 686allowed to float and temperature is set constant. At the outlet, a user-set 687pressure is used for pressure in the inviscid flux terms (all other inviscid 688flux terms use interior solution values). The wall is a no-slip, 689no-penetration, no-heat flux condition. The top of the domain is treated as an 690outflow and is tilted at a downward angle to ensure that flow is always exiting 691it. 692 693### Turbulent Boundary Layer 694 695Simulating a turbulent boundary layer without modeling the turbulence requires 696resolving the turbulent flow structures. These structures may be introduced 697into the simulations either by allowing a laminar boundary layer naturally 698transition to turbulence, or imposing turbulent structures at the inflow. The 699latter approach has been taken here, specifically using a *synthetic turbulence 700generation* (STG) method. 701 702#### Synthetic Turbulence Generation (STG) Boundary Condition 703 704We use the STG method described in 705{cite}`shurSTG2014`. Below follows a re-description of the formulation to match 706the present notation, and then a description of the implementation and usage. 707 708##### Equation Formulation 709 710$$ 711\bm{u}(\bm{x}, t) = \bm{\overline{u}}(\bm{x}) + \bm{C}(\bm{x}) \cdot \bm{v}' 712$$ 713 714$$ 715\begin{aligned} 716\bm{v}' &= 2 \sqrt{3/2} \sum^N_{n=1} \sqrt{q^n(\bm{x})} \bm{\sigma}^n \cos(\kappa^n \bm{d}^n \cdot \bm{\hat{x}}^n(\bm{x}, t) + \phi^n ) \\ 717\bm{\hat{x}}^n &= \left[(x - U_0 t)\max(2\kappa_{\min}/\kappa^n, 0.1) , y, z \right]^T 718\end{aligned} 719$$ 720 721Here, we define the number of wavemodes $N$, set of random numbers $ \{\bm{\sigma}^n, 722\bm{d}^n, \phi^n\}_{n=1}^N$, the Cholesky decomposition of the Reynolds stress 723tensor $\bm{C}$ (such that $\bm{R} = \bm{CC}^T$ ), bulk velocity $U_0$, 724wavemode amplitude $q^n$, wavemode frequency $\kappa^n$, and $\kappa_{\min} = 7250.5 \min_{\bm{x}} (\kappa_e)$. 726 727$$ 728\kappa_e = \frac{2\pi}{\min(2d_w, 3.0 l_t)} 729$$ 730 731where $l_t$ is the turbulence length scale, and $d_w$ is the distance to the 732nearest wall. 733 734 735The set of wavemode frequencies is defined by a geometric distribution: 736 737$$ 738\kappa^n = \kappa_{\min} (1 + \alpha)^{n-1} \ , \quad \forall n=1, 2, ... , N 739$$ 740 741The wavemode amplitudes $q^n$ are defined by a model energy spectrum $E(\kappa)$: 742 743$$ 744q^n = \frac{E(\kappa^n) \Delta \kappa^n}{\sum^N_{n=1} E(\kappa^n)\Delta \kappa^n} \ ,\quad \Delta \kappa^n = \kappa^n - \kappa^{n-1} 745$$ 746 747$$ E(\kappa) = \frac{(\kappa/\kappa_e)^4}{[1 + 2.4(\kappa/\kappa_e)^2]^{17/6}} f_\eta f_{\mathrm{cut}} $$ 748 749$$ 750f_\eta = \exp \left[-(12\kappa /\kappa_\eta)^2 \right], \quad 751f_\mathrm{cut} = \exp \left( - \left [ \frac{4\max(\kappa-0.9\kappa_\mathrm{cut}, 0)}{\kappa_\mathrm{cut}} \right]^3 \right) 752$$ 753 754$\kappa_\eta$ represents turbulent dissipation frequency, and is given as $2\pi 755(\nu^3/\varepsilon)^{-1/4}$ with $\nu$ the kinematic viscosity and 756$\varepsilon$ the turbulent dissipation. $\kappa_\mathrm{cut}$ approximates the 757effective cutoff frequency of the mesh (viewing the mesh as a filter on 758solution over $\Omega$) and is given by: 759 760$$ 761\kappa_\mathrm{cut} = \frac{2\pi}{ 2\min\{ [\max(h_y, h_z, 0.3h_{\max}) + 0.1 d_w], h_{\max} \} } 762$$ 763 764The enforcement of the boundary condition is identical to the blasius inflow; 765it weakly enforces velocity, with the option of weakly enforcing either density 766or temperature using the the `-weakT` flag. 767 768##### Initialization Data Flow 769 770Data flow for initializing function (which creates the context data struct) is 771given below: 772```{mermaid} 773flowchart LR 774 subgraph STGInflow.dat 775 y 776 lt[l_t] 777 eps 778 Rij[R_ij] 779 ubar 780 end 781 782 subgraph STGRand.dat 783 rand[RN Set]; 784 end 785 786 subgraph User Input 787 u0[U0]; 788 end 789 790 subgraph init[Create Context Function] 791 ke[k_e] 792 N; 793 end 794 lt --Calc-->ke --Calc-->kn 795 y --Calc-->ke 796 797 subgraph context[Context Data] 798 yC[y] 799 randC[RN Set] 800 Cij[C_ij] 801 u0 --Copy--> u0C[U0] 802 kn[k^n]; 803 ubarC[ubar] 804 ltC[l_t] 805 epsC[eps] 806 end 807 ubar --Copy--> ubarC; 808 y --Copy--> yC; 809 lt --Copy--> ltC; 810 eps --Copy--> epsC; 811 812 rand --Copy--> randC; 813 rand --> N --Calc--> kn; 814 Rij --Calc--> Cij[C_ij] 815``` 816 817This is done once at runtime. The spatially-varying terms are then evaluated at 818each quadrature point on-the-fly, either by interpolation (for $l_t$, 819$\varepsilon$, $C_{ij}$, and $\overline{\bm u}$) or by calculation (for $q^n$). 820 821The `STGInflow.dat` file is a table of values at given distances from the wall. 822These values are then interpolated to a physical location (node or quadrature 823point). It has the following format: 824``` 825[Total number of locations] 14 826[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] 827``` 828where each `[ ]` item is a number in scientific notation (ie. `3.1415E0`), and `sclr_1` and 829`sclr_2` are reserved for turbulence modeling variables. They are not used in 830this example. 831 832The `STGRand.dat` file is the table of the random number set, $\{\bm{\sigma}^n, 833\bm{d}^n, \phi^n\}_{n=1}^N$. It has the format: 834``` 835[Number of wavemodes] 7 836[d_1] [d_2] [d_3] [phi] [sigma_1] [sigma_2] [sigma_3] 837``` 838 839The following table is presented to help clarify the dimensionality of the 840numerous terms in the STG formulation. 841 842| Math | Label | $f(\bm{x})$? | $f(n)$? | 843| ----------------- | -------- | -------------- | --------- | 844| $ \{\bm{\sigma}^n, \bm{d}^n, \phi^n\}_{n=1}^N$ | RN Set | No | Yes | 845| $\bm{\overline{u}}$ | ubar | Yes | No | 846| $U_0$ | U0 | No | No | 847| $l_t$ | l_t | Yes | No | 848| $\varepsilon$ | eps | Yes | No | 849| $\bm{R}$ | R_ij | Yes | No | 850| $\bm{C}$ | C_ij | Yes | No | 851| $q^n$ | q^n | Yes | Yes | 852| $\{\kappa^n\}_{n=1}^N$ | k^n | No | Yes | 853| $h_i$ | h_i | Yes | No | 854| $d_w$ | d_w | Yes | No | 855 856#### Internal Damping Layer (IDL) 857The STG inflow boundary condition creates large amplitude acoustic waves. 858We 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 859{cite}`shurSTG2014`, but is implemented here as a ramped volumetric forcing 860term, similar to a sponge layer (see 8.4.2.4 in {cite}`colonius2023turbBC` for example). It takes the following form: 861 862$$ 863S(\bm{q}) = -\sigma(\bm{x})\left.\frac{\partial \bm{q}}{\partial \bm{Y}}\right\rvert_{\bm{q}} \bm{Y}' 864$$ 865 866where $\bm{Y}' = [P - P_\mathrm{ref}, \bm{0}, 0]^T$, and $\sigma(\bm{x})$ is a 867linear ramp starting at `-idl_start` with length `-idl_length` and an amplitude 868of inverse `-idl_decay_rate`. The damping is defined in terms of a pressure-primitive 869anomaly $\bm Y'$ converted to conservative source using $\partial 870\bm{q}/\partial \bm{Y}\rvert_{\bm{q}}$, which is linearized about the current 871flow state. $P_\mathrm{ref}$ is defined via the `-reference_pressure` flag. 872 873### Meshing 874 875The flat plate boundary layer example has custom meshing features to better resolve the flow when using a generated box mesh. 876These meshing features modify the nodal layout of the default, equispaced box mesh and are enabled via `-mesh_transform platemesh`. 877One of those is tilting the top of the domain, allowing for it to be a outflow boundary condition. 878The angle of this tilt is controlled by `-platemesh_top_angle`. 879 880The primary meshing feature is the ability to grade the mesh, providing better 881resolution near the wall. There are two methods to do this; algorithmically, or 882specifying the node locations via a file. Algorithmically, a base node 883distribution is defined at the inlet (assumed to be $\min(x)$) and then 884linearly stretched/squeezed to match the slanted top boundary condition. Nodes 885are placed such that `-platemesh_Ndelta` elements are within 886`-platemesh_refine_height` of the wall. They are placed such that the element 887height matches a geometric growth ratio defined by `-platemesh_growth`. The 888remaining elements are then distributed from `-platemesh_refine_height` to the 889top of the domain linearly in logarithmic space. 890 891Alternatively, a file may be specified containing the locations of each node. 892The file should be newline delimited, with the first line specifying the number 893of points and the rest being the locations of the nodes. The node locations 894used exactly at the inlet (assumed to be $\min(x)$) and linearly 895stretched/squeezed to match the slanted top boundary condition. The file is 896specified via `-platemesh_y_node_locs_path`. If this flag is given an empty 897string, then the algorithmic approach will be performed. 898 899## Taylor-Green Vortex 900 901This problem is really just an initial condition, the [Taylor-Green Vortex](https://en.wikipedia.org/wiki/Taylor%E2%80%93Green_vortex): 902 903$$ 904\begin{aligned} 905u &= V_0 \sin(\hat x) \cos(\hat y) \sin(\hat z) \\ 906v &= -V_0 \cos(\hat x) \sin(\hat y) \sin(\hat z) \\ 907w &= 0 \\ 908p &= p_0 + \frac{\rho_0 V_0^2}{16} \left ( \cos(2 \hat x) + \cos(2 \hat y)\right) \left( \cos(2 \hat z) + 2 \right) \\ 909\rho &= \frac{p}{R T_0} \\ 910\end{aligned} 911$$ 912 913where $\hat x = 2 \pi x / L$ for $L$ the length of the domain in that specific direction. 914This coordinate modification is done to transform a given grid onto a domain of $x,y,z \in [0, 2\pi)$. 915 916This initial condition is traditionally given for the incompressible Navier-Stokes equations. 917The reference state is selected using the `-reference_{velocity,pressure,temperature}` flags (Euclidean norm of `-reference_velocity` is used for $V_0$). 918