xref: /libCEED/examples/fluids/index.md (revision 49fc647510b7e0dcf730e37ef22e49b8e60c5698)
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.
373Fused mode is generally faster than the sequential mode, however fused mode requires that the model architecture be manually implemented into a libCEED QFunction.
374To use the fused mode, set `-sgs_model_dd_implementation fused`.
375
376Sequential mode has separate function calls/CeedOperators for input creation, model inference, and output handling.
377By separating the three steps of the model evaluation, the sequential mode allows for functions calling external libraries to be used for the model inference step.
378The use of these external libraries allows us to leverage the flexibility of those external libraries in their model architectures.
379
380PyTorch is currently the only external library implemented with the sequential mode.
381This is enabled with `USE_TORCH=1` during the build process, which will use the PyTorch accessible from the build environment's Python interpreter.
382To specify the path to the PyTorch model file, use `-sgs_model_dd_torch_model_path`.
383The hardware used to run the model inference is determined automatically from the libCEED backend chosen, but can be overridden with `-sgs_model_dd_torch_model_device`.
384Note that if you chose to run the inference on host while using a GPU libCEED backend (e.g. `/gpu/cuda`), then host-to-device transfers (and vice versa) will be done automatically.
385
386The sequential mode is available using a libCEED based inference evaluation via `-sgs_model_dd_implementation sequential_ceed`, but it is only for verification purposes.
387
388(differential-filtering)=
389### Differential Filtering
390
391There is the option to filter the solution field using differential filtering.
392This was first proposed in {cite}`germanoDiffFilterLES1986`, using an inverse Hemholtz operator.
393The strong form of the differential equation is
394
395$$
396\overline{\phi} - \nabla \cdot (\beta (\bm{D}\bm{\Delta})^2 \nabla \overline{\phi} ) = \phi
397$$
398
399for $\phi$ 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.
400This admits the weak form:
401
402$$
403\int_\Omega \left( v \overline \phi + \beta \nabla v \cdot (\bm{D}\bm{\Delta})^2 \nabla \overline \phi \right) \,d\Omega
404- \cancel{\int_{\partial \Omega} \beta v \nabla \overline \phi \cdot (\bm{D}\bm{\Delta})^2 \bm{\hat{n}} \,d\partial\Omega} =
405\int_\Omega v \phi \, , \; \forall v \in \mathcal{V}_p
406$$
407
408The 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).
409
410#### Filter width tensor, Δ
411For homogenous filtering, $\bm{\Delta}$ is defined as the identity matrix.
412
413:::{note}
414It is common to denote a filter width dimensioned relative to the radial distance of the filter kernel.
415Note here we use the filter *diameter* instead, as that feels more natural (albeit mathematically less convenient).
416For example, under this definition a box filter would be defined as:
417
418$$
419B(\Delta; \bm{r}) =
420\begin{cases}
4211 & \Vert \bm{r} \Vert \leq \Delta/2 \\
4220 & \Vert \bm{r} \Vert > \Delta/2
423\end{cases}
424$$
425:::
426
427For inhomogeneous anisotropic filtering, we use the finite element grid itself to define $\bm{\Delta}$.
428This is set via `-diff_filter_grid_based_width`.
429Specifically, we use the filter width tensor defined in {cite}`prakashDDSGSAnisotropic2022`.
430For 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.
431
432#### Filter width scaling tensor, $\bm{D}$
433The filter width tensor $\bm{\Delta}$, be it defined from grid based sources or just the homogenous filtering, can be scaled anisotropically.
434The coefficients for that anisotropic scaling are given by `-diff_filter_width_scaling`, denoted here by $c_1, c_2, c_3$.
435The definition for $\bm{D}$ then becomes
436
437$$
438\bm{D} =
439\begin{bmatrix}
440    c_1 & 0        & 0        \\
441    0        & c_2 & 0        \\
442    0        & 0        & c_3 \\
443\end{bmatrix}
444$$
445
446In the case of $\bm{\Delta}$ being defined as homogenous, $\bm{D}\bm{\Delta}$ means that $\bm{D}$ effectively sets the filter width.
447
448The filtering at the wall may also be damped, to smoothly meet the $\overline \phi = \phi$ boundary condition at the wall.
449The selected damping function for this is the van Driest function {cite}`vandriestWallDamping1956`:
450
451$$
452\zeta = 1 - \exp\left(-\frac{y^+}{A^+}\right)
453$$
454
455where $y^+$ 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.
456For this implementation, we assume that $\delta_\nu$ is constant across the wall and is defined by `-diff_filter_friction_length`.
457$A^+$ is defined by `-diff_filter_damping_constant`.
458
459To apply this scalar damping coefficient to the filter width tensor, we construct the wall-damping tensor from it.
460The construction implemented currently limits damping in the wall parallel directions to be no less than the original filter width defined by $\bm{\Delta}$.
461The wall-normal filter width is allowed to be damped to a zero filter width.
462It is currently assumed that the second component of the filter width tensor is in the wall-normal direction.
463Under these assumptions, $\bm{D}$ then becomes:
464
465$$
466\bm{D} =
467\begin{bmatrix}
468    \max(1, \zeta c_1) & 0         & 0                  \\
469    0                  & \zeta c_2 & 0                  \\
470    0                  & 0         & \max(1, \zeta c_3) \\
471\end{bmatrix}
472$$
473
474#### Filter kernel scaling, β
475While 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.
476To account for this, we use $\beta$ to scale the filter tensor to the appropriate size, as is done in {cite}`bullExplicitFilteringExact2016`.
477To 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.
478To match the box and Gaussian filters "sizes", we use $\beta = 1/10$ and $\beta = 1/6$, respectively.
479$\beta$ can be set via `-diff_filter_kernel_scaling`.
480
481### *In Situ* Machine-Learning Model Training
482Training machine-learning models normally uses *a priori* (already gathered) data stored on disk.
483This 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.
484One way of working around this to to train a model on data coming from an ongoing simulation, known as *in situ* (in place) learning.
485
486This is implemented in the code using [SmartSim](https://www.craylabs.org/docs/overview.html).
487Briefly, the fluid simulation will periodically place data for training purposes into a database that a separate process uses to train a model.
488The 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).
489More 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).
490
491To use this code in a SmartSim *in situ* setup, first the code must be built with SmartRedis enabled.
492This is done by specifying the installation directory of SmartRedis using the `SMARTREDIS_DIR` environment variable when building:
493
494```
495make SMARTREDIS_DIR=~/software/smartredis/install
496```
497
498#### SGS Data-Driven Model *In Situ* Training
499Currently the code is only setup to do *in situ* training for the SGS data-driven model.
500Training data is split into the model inputs and outputs.
501The model inputs are calculated as the same model inputs in the SGS Data-Driven model described {ref}`earlier<sgs-dd-model>`.
502The model outputs (or targets in the case of training) are the subgrid stresses.
503Both the inputs and outputs are computed from a filtered velocity field, which is calculated via {ref}`differential-filtering`.
504The settings for the differential filtering used during training are described in {ref}`differential-filtering`.
505The training will create multiple sets of data per each filter width defined in `-sgs_train_filter_widths`.
506Those scalar filter widths correspond to the scaling correspond to $\bm{D} = c \bm{I}$, where $c$ is the scalar filter width.
507
508The SGS *in situ* training can be enabled using the `-sgs_train_enable` flag.
509Data can be processed and placed into the database periodically.
510The interval between is controlled by `-sgs_train_write_data_interval`.
511There's also the choice of whether to add new training data on each database write or to overwrite the old data with new data.
512This is controlled by `-sgs_train_overwrite_data`.
513
514The database may also be located on the same node as a MPI rank (collocated) or located on a separate node (distributed).
515It's necessary to know how many ranks are associated with each collocated database, which is set by `-smartsim_collocated_database_num_ranks`.
516
517(problem-advection)=
518## Advection-Diffusion
519
520A simplified version of system {eq}`eq-ns`, only accounting for the transport of total energy, is given by
521
522$$
523\frac{\partial E}{\partial t} + \nabla \cdot (\bm{u} E ) - \kappa \nabla E = 0 \, ,
524$$ (eq-advection)
525
526with $\bm{u}$ the vector velocity field and $\kappa$ the diffusion coefficient.
527In this particular test case, a blob of total energy (defined by a characteristic radius $r_c$) is transported by two different wind types.
528
529- **Rotation**
530
531  In this case, a uniform circular velocity field transports the blob of total energy.
532  We have solved {eq}`eq-advection` applying zero energy density $E$, and no-flux for $\bm{u}$ on the boundaries.
533
534- **Translation**
535
536  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.
537
538  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
539
540  $$
541  \int_{\partial \Omega_{inflow}} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS = \int_{\partial \Omega_{inflow}} \bm v \, E_{wind} \, \bm u \cdot \widehat{\bm{n}} \,dS  \, ,
542  $$
543
544  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.
545  The weak form boundary integral in {eq}`eq-weak-vector-ns` for outflow boundary conditions is defined as
546
547  $$
548  \int_{\partial \Omega_{outflow}} \bm v \cdot \bm{F}(\bm q_N) \cdot \widehat{\bm{n}} \,dS = \int_{\partial \Omega_{outflow}} \bm v \, E \, \bm u \cdot \widehat{\bm{n}} \,dS  \, ,
549  $$
550
551(problem-euler-vortex)=
552
553## Isentropic Vortex
554
555Three-dimensional Euler equations, which are simplified and nondimensionalized version of system {eq}`eq-ns` and account only for the convective fluxes, are given by
556
557$$
558\begin{aligned}
559\frac{\partial \rho}{\partial t} + \nabla \cdot \bm{U} &= 0 \\
560\frac{\partial \bm{U}}{\partial t} + \nabla \cdot \left( \frac{\bm{U} \otimes \bm{U}}{\rho} + P \bm{I}_3 \right) &= 0 \\
561\frac{\partial E}{\partial t} + \nabla \cdot \left( \frac{(E + P)\bm{U}}{\rho} \right) &= 0 \, , \\
562\end{aligned}
563$$ (eq-euler)
564
565Following 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
566
567$$
568\begin{aligned} (\delta u_1, \, \delta u_2) &= \frac{\epsilon}{2 \pi} \, e^{0.5(1-r^2)} \, (-\bar{y}, \, \bar{x}) \, , \\ \delta T &= - \frac{(\gamma-1) \, \epsilon^2}{8 \, \gamma \, \pi^2} \, e^{1-r^2} \, , \\ \end{aligned}
569$$
570
571where $(\bar{x}, \, \bar{y}) = (x-x_c, \, y-y_c)$, $(x_c, \, y_c)$ represents the center of the domain, $r^2=\bar{x}^2 + \bar{y}^2$, and $\epsilon$ is the vortex strength ($\epsilon$ < 10).
572There is no perturbation in the entropy $S=P/\rho^\gamma$ ($\delta S=0)$.
573
574(problem-shock-tube)=
575
576## Shock Tube
577
578This 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.
579
580SU 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
581
582$$
583\int_{\Omega} \nu_{SHOCK} \nabla \bm v \!:\! \nabla \bm q dV
584$$
585
586The 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
587
588$$
589\nu_{SHOCK} = \tau_{SHOCK} u_{cha}^2
590$$
591
592where,
593
594$$
595\tau_{SHOCK} = \frac{h_{SHOCK}}{2u_{cha}} \left( \frac{ \,|\, \nabla \rho \,|\, h_{SHOCK}}{\rho_{ref}} \right)^{\beta}
596$$
597
598$\beta$ 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
599
600$$
601h_{SHOCK} = 2 \left( C_{YZB} \,|\, \bm p \,|\, \right)^{-1}
602$$
603
604where
605
606$$
607p_k = \hat{j}_i \frac{\partial \xi_i}{x_k}
608$$
609
610The 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.
611
612(problem-density-current)=
613
614## Gaussian Wave
615This 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.
616
617The problem has a perturbed initial condition and lets it evolve in time. The initial condition contains a Gaussian perturbation in the pressure field:
618
619$$
620\begin{aligned}
621\rho &= \rho_\infty\left(1+A\exp\left(\frac{-(\bar{x}^2 + \bar{y}^2)}{2\sigma^2}\right)\right) \\
622\bm{U} &= \bm U_\infty \\
623E &= \frac{p_\infty}{\gamma -1}\left(1+A\exp\left(\frac{-(\bar{x}^2 + \bar{y}^2)}{2\sigma^2}\right)\right) + \frac{\bm U_\infty \cdot \bm U_\infty}{2\rho_\infty},
624\end{aligned}
625$$
626
627where $A$ 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, $(x_e, y_e)$.
628The simulation produces a strong acoustic wave and leaves behind a cold thermal bubble that advects at the fluid velocity.
629
630The 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.
631This 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.
632
633## Vortex Shedding - Flow past Cylinder
634This test case, based on {cite}`shakib1991femcfd`, is an example of using an externally provided mesh from Gmsh.
635A cylinder with diameter $D=1$ is centered at $(0,0)$ in a computational domain $-4.5 \leq x \leq 15.5$, $-4.5 \leq y \leq 4.5$.
636We solve this as a 3D problem with (default) one element in the $z$ direction.
637The domain is filled with an ideal gas at rest (zero velocity) with temperature 24.92 and pressure 7143.
638The viscosity is 0.01 and thermal conductivity is 14.34 to maintain a Prandtl number of 0.71, which is typical for air.
639At 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 $0.01$.
640A symmetry (adiabatic free slip) condition is imposed at the top and bottom boundaries $(y = \pm 4.5)$ (zero normal velocity component, zero heat-flux).
641The cylinder wall is an adiabatic (no heat flux) no-slip boundary condition.
642As 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.
643
644The Gmsh input file, `examples/fluids/meshes/cylinder.geo` is parametrized to facilitate experimenting with similar configurations.
645The Strouhal number (nondimensional shedding frequency) is sensitive to the size of the computational domain and boundary conditions.
646
647Forces on the cylinder walls are computed using the "reaction force" method, which is variationally consistent with the volume operator.
648Given 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
649
650$$
651\begin{aligned}
652C_L &= \frac{2 F_y}{\rho_\infty u_\infty^2 S} \\
653C_D &= \frac{2 F_x}{\rho_\infty u_\infty^2 S} \\
654\end{aligned}
655$$
656
657where $\rho_\infty, u_\infty$ are the freestream (inflow) density and velocity respectively.
658
659## Density Current
660
661For 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.
662Its 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
663
664$$
665\begin{aligned} \rho &= \frac{P_0}{( c_p - c_v)\theta(\bm{x},t)} \pi(\bm{x},t)^{\frac{c_v}{ c_p - c_v}} \, , \\ e &= c_v \theta(\bm{x},t) \pi(\bm{x},t) + \bm{u}\cdot \bm{u} /2 + g z \, , \end{aligned}
666$$
667
668where $P_0$ is the atmospheric pressure.
669For this problem, we have used no-slip and non-penetration boundary conditions for $\bm{u}$, and no-flux for mass and energy densities.
670
671## Channel
672
673A compressible channel flow. Analytical solution given in
674{cite}`whitingStabilizedFEM1999`:
675
676$$ u_1 = u_{\max} \left [ 1 - \left ( \frac{x_2}{H}\right)^2 \right] \quad \quad u_2 = u_3 = 0$$
677$$T = T_w \left [ 1 + \frac{Pr \hat{E}c}{3} \left \{1 - \left(\frac{x_2}{H}\right)^4  \right \} \right]$$
678$$p = p_0 - \frac{2\rho_0 u_{\max}^2 x_1}{Re_H H}$$
679
680where $H$ 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.
681
682Boundary conditions are periodic in the streamwise direction, and no-slip and non-penetration boundary conditions at the walls.
683The flow is driven by a body force determined analytically from the fluid properties and setup parameters $H$ and $u_{\max}$.
684
685## Flat Plate Boundary Layer
686
687### Laminar Boundary Layer - Blasius
688
689Simulation of a laminar boundary layer flow, with the inflow being prescribed
690by a [Blasius similarity
691solution](https://en.wikipedia.org/wiki/Blasius_boundary_layer). At the inflow,
692the velocity is prescribed by the Blasius soution profile, density is set
693constant, and temperature is allowed to float. Using `weakT: true`, density is
694allowed to float and temperature is set constant. At the outlet, a user-set
695pressure is used for pressure in the inviscid flux terms (all other inviscid
696flux terms use interior solution values). The wall is a no-slip,
697no-penetration, no-heat flux condition. The top of the domain is treated as an
698outflow and is tilted at a downward angle to ensure that flow is always exiting
699it.
700
701### Turbulent Boundary Layer
702
703Simulating a turbulent boundary layer without modeling the turbulence requires
704resolving the turbulent flow structures. These structures may be introduced
705into the simulations either by allowing a laminar boundary layer naturally
706transition to turbulence, or imposing turbulent structures at the inflow. The
707latter approach has been taken here, specifically using a *synthetic turbulence
708generation* (STG) method.
709
710#### Synthetic Turbulence Generation (STG) Boundary Condition
711
712We use the STG method described in
713{cite}`shurSTG2014`. Below follows a re-description of the formulation to match
714the present notation, and then a description of the implementation and usage.
715
716##### Equation Formulation
717
718$$
719\bm{u}(\bm{x}, t) = \bm{\overline{u}}(\bm{x}) + \bm{C}(\bm{x}) \cdot \bm{v}'
720$$
721
722$$
723\begin{aligned}
724\bm{v}' &= 2 \sqrt{3/2} \sum^N_{n=1} \sqrt{q^n(\bm{x})} \bm{\sigma}^n \cos(\kappa^n \bm{d}^n \cdot \bm{\hat{x}}^n(\bm{x}, t) + \phi^n ) \\
725\bm{\hat{x}}^n &= \left[(x - U_0 t)\max(2\kappa_{\min}/\kappa^n, 0.1) , y, z  \right]^T
726\end{aligned}
727$$
728
729Here, we define the number of wavemodes $N$, set of random numbers $ \{\bm{\sigma}^n,
730\bm{d}^n, \phi^n\}_{n=1}^N$, the Cholesky decomposition of the Reynolds stress
731tensor $\bm{C}$ (such that $\bm{R} = \bm{CC}^T$ ), bulk velocity $U_0$,
732wavemode amplitude $q^n$, wavemode frequency $\kappa^n$, and $\kappa_{\min} =
7330.5 \min_{\bm{x}} (\kappa_e)$.
734
735$$
736\kappa_e = \frac{2\pi}{\min(2d_w, 3.0 l_t)}
737$$
738
739where $l_t$ is the turbulence length scale, and $d_w$ is the distance to the
740nearest wall.
741
742
743The set of wavemode frequencies is defined by a geometric distribution:
744
745$$
746\kappa^n = \kappa_{\min} (1 + \alpha)^{n-1} \ , \quad \forall n=1, 2, ... , N
747$$
748
749The wavemode amplitudes $q^n$ are defined by a model energy spectrum $E(\kappa)$:
750
751$$
752q^n = \frac{E(\kappa^n) \Delta \kappa^n}{\sum^N_{n=1} E(\kappa^n)\Delta \kappa^n} \ ,\quad \Delta \kappa^n = \kappa^n - \kappa^{n-1}
753$$
754
755$$ E(\kappa) = \frac{(\kappa/\kappa_e)^4}{[1 + 2.4(\kappa/\kappa_e)^2]^{17/6}} f_\eta f_{\mathrm{cut}} $$
756
757$$
758f_\eta = \exp \left[-(12\kappa /\kappa_\eta)^2 \right], \quad
759f_\mathrm{cut} = \exp \left( - \left [ \frac{4\max(\kappa-0.9\kappa_\mathrm{cut}, 0)}{\kappa_\mathrm{cut}} \right]^3 \right)
760$$
761
762$\kappa_\eta$ represents turbulent dissipation frequency, and is given as $2\pi
763(\nu^3/\varepsilon)^{-1/4}$ with $\nu$ the kinematic viscosity and
764$\varepsilon$ the turbulent dissipation. $\kappa_\mathrm{cut}$ approximates the
765effective cutoff frequency of the mesh (viewing the mesh as a filter on
766solution over $\Omega$) and is given by:
767
768$$
769\kappa_\mathrm{cut} = \frac{2\pi}{ 2\min\{ [\max(h_y, h_z, 0.3h_{\max}) + 0.1 d_w], h_{\max} \} }
770$$
771
772The enforcement of the boundary condition is identical to the blasius inflow;
773it weakly enforces velocity, with the option of weakly enforcing either density
774or temperature using the the `-weakT` flag.
775
776##### Initialization Data Flow
777
778Data flow for initializing function (which creates the context data struct) is
779given below:
780```{mermaid}
781flowchart LR
782    subgraph STGInflow.dat
783    y
784    lt[l_t]
785    eps
786    Rij[R_ij]
787    ubar
788    end
789
790    subgraph STGRand.dat
791    rand[RN Set];
792    end
793
794    subgraph User Input
795    u0[U0];
796    end
797
798    subgraph init[Create Context Function]
799    ke[k_e]
800    N;
801    end
802    lt --Calc-->ke --Calc-->kn
803    y --Calc-->ke
804
805    subgraph context[Context Data]
806    yC[y]
807    randC[RN Set]
808    Cij[C_ij]
809    u0 --Copy--> u0C[U0]
810    kn[k^n];
811    ubarC[ubar]
812    ltC[l_t]
813    epsC[eps]
814    end
815    ubar --Copy--> ubarC;
816    y --Copy--> yC;
817    lt --Copy--> ltC;
818    eps --Copy--> epsC;
819
820    rand --Copy--> randC;
821    rand --> N --Calc--> kn;
822    Rij --Calc--> Cij[C_ij]
823```
824
825This is done once at runtime. The spatially-varying terms are then evaluated at
826each quadrature point on-the-fly, either by interpolation (for $l_t$,
827$\varepsilon$, $C_{ij}$, and $\overline{\bm u}$) or by calculation (for $q^n$).
828
829The `STGInflow.dat` file is a table of values at given distances from the wall.
830These values are then interpolated to a physical location (node or quadrature
831point). It has the following format:
832```
833[Total number of locations] 14
834[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]
835```
836where each `[  ]` item is a number in scientific notation (ie. `3.1415E0`), and `sclr_1` and
837`sclr_2` are reserved for turbulence modeling variables. They are not used in
838this example.
839
840The `STGRand.dat` file is the table of the random number set, $\{\bm{\sigma}^n,
841\bm{d}^n, \phi^n\}_{n=1}^N$. It has the format:
842```
843[Number of wavemodes] 7
844[d_1] [d_2] [d_3] [phi] [sigma_1] [sigma_2] [sigma_3]
845```
846
847The following table is presented to help clarify the dimensionality of the
848numerous terms in the STG formulation.
849
850| Math                                           | Label    | $f(\bm{x})$?   | $f(n)$?   |
851| -----------------                              | -------- | -------------- | --------- |
852| $ \{\bm{\sigma}^n, \bm{d}^n, \phi^n\}_{n=1}^N$ | RN Set   | No             | Yes       |
853| $\bm{\overline{u}}$                            | ubar     | Yes            | No        |
854| $U_0$                                          | U0       | No             | No        |
855| $l_t$                                          | l_t      | Yes            | No        |
856| $\varepsilon$                                  | eps      | Yes            | No        |
857| $\bm{R}$                                       | R_ij     | Yes            | No        |
858| $\bm{C}$                                       | C_ij     | Yes            | No        |
859| $q^n$                                          | q^n      | Yes            | Yes       |
860| $\{\kappa^n\}_{n=1}^N$                         | k^n      | No             | Yes       |
861| $h_i$                                          | h_i      | Yes            | No        |
862| $d_w$                                          | d_w      | Yes            | No        |
863
864#### Internal Damping Layer (IDL)
865The STG inflow boundary condition creates large amplitude acoustic waves.
866We use an internal damping layer (IDL) to damp them out without disrupting the synthetic structures developing into natural turbulent structures.
867This implementation was inspired by {cite}`shurSTG2014`, but is implemented here as a ramped volumetric forcing term, similar to a sponge layer (see 8.4.2.4 in {cite}`colonius2023turbBC` for example).
868It takes the following form:
869
870$$
871S(\bm{q}) = -\sigma(\bm{x})\left.\frac{\partial \bm{q}}{\partial \bm{Y}}\right\rvert_{\bm{q}} \bm{Y}'
872$$
873
874where $\bm{Y}' = [P - P_\mathrm{ref}, \bm{0}, 0]^T$, and $\sigma(\bm{x})$ is a linear ramp starting at `-idl_start` with length `-idl_length` and an amplitude of inverse `-idl_decay_rate`.
875The damping is defined in terms of a pressure-primitive anomaly $\bm Y'$ converted to conservative source using $\partial \bm{q}/\partial \bm{Y}\rvert_{\bm{q}}$, which is linearized about the current flow state.
876$P_\mathrm{ref}$ has a default value equal to `-reference_pressure` flag, with an optional flag `-idl_pressure` to set it to a different value.
877
878### Meshing
879
880The flat plate boundary layer example has custom meshing features to better resolve the flow when using a generated box mesh.
881These meshing features modify the nodal layout of the default, equispaced box mesh and are enabled via `-mesh_transform platemesh`.
882One of those is tilting the top of the domain, allowing for it to be a outflow boundary condition.
883The angle of this tilt is controlled by `-platemesh_top_angle`.
884
885The primary meshing feature is the ability to grade the mesh, providing better
886resolution near the wall. There are two methods to do this; algorithmically, or
887specifying the node locations via a file. Algorithmically, a base node
888distribution is defined at the inlet (assumed to be $\min(x)$) and then
889linearly stretched/squeezed to match the slanted top boundary condition. Nodes
890are placed such that `-platemesh_Ndelta` elements are within
891`-platemesh_refine_height` of the wall. They are placed such that the element
892height matches a geometric growth ratio defined by `-platemesh_growth`. The
893remaining elements are then distributed from `-platemesh_refine_height` to the
894top of the domain linearly in logarithmic space.
895
896Alternatively, a file may be specified containing the locations of each node.
897The file should be newline delimited, with the first line specifying the number
898of points and the rest being the locations of the nodes. The node locations
899used exactly at the inlet (assumed to be $\min(x)$) and linearly
900stretched/squeezed to match the slanted top boundary condition. The file is
901specified via `-platemesh_y_node_locs_path`. If this flag is given an empty
902string, then the algorithmic approach will be performed.
903
904## Taylor-Green Vortex
905
906This problem is really just an initial condition, the [Taylor-Green Vortex](https://en.wikipedia.org/wiki/Taylor%E2%80%93Green_vortex):
907
908$$
909\begin{aligned}
910u &= V_0 \sin(\hat x) \cos(\hat y) \sin(\hat z) \\
911v &= -V_0 \cos(\hat x) \sin(\hat y) \sin(\hat z) \\
912w &= 0 \\
913p &= p_0 + \frac{\rho_0 V_0^2}{16} \left ( \cos(2 \hat x) + \cos(2 \hat y)\right) \left( \cos(2 \hat z) + 2 \right) \\
914\rho &= \frac{p}{R T_0} \\
915\end{aligned}
916$$
917
918where $\hat x = 2 \pi x / L$ for $L$ the length of the domain in that specific direction.
919This coordinate modification is done to transform a given grid onto a domain of $x,y,z \in [0, 2\pi)$.
920
921This initial condition is traditionally given for the incompressible Navier-Stokes equations.
922The reference state is selected using the `-reference_{velocity,pressure,temperature}` flags (Euclidean norm of `-reference_velocity` is used for $V_0$).
923