Review: Perfectly Matched Layers Implementation & Stability

1. Brief Intro: PML

(1) Bérenger’s PML with split fields

For simplicity, we only deal with 2D transverse electric (\(E_z =0\)) Maxwell equation. The simplified dimensionless Maxwell equations in a lossy medium are

\[\frac{\partial E_y}{\partial t} + \sigma_1 E_y = - \frac{\partial H_z}{\partial x},\quad \frac{\partial E_x}{\partial t} + \sigma_2 E_x = \frac{\partial H_z}{\partial y},\quad \frac{\partial H_z}{\partial t} + \rho^* H_z = \frac{\partial E_x}{\partial y} - \frac{\partial E_y}{\partial x}\]

The Bérenger’s idea is that the orthogonal magnetic field \(H_z\) can be split into nonphysical components \(H_x+H_y\). The system becomes

\[\frac{\partial E_y}{\partial t} + \sigma_1 E_y =-\frac{\partial (H_x+H_y)}{\partial x},\quad \frac{\partial E_x}{\partial t}+\sigma_2 E_x = \frac{\partial (H_x+H_y)}{\partial y}, \quad \frac{\partial H_x}{\partial t}+\sigma_1^* H_x = -\frac{\partial E_y}{\partial x},\quad \frac{\partial H_y}{\partial t}+\sigma_2^* H_y = \frac{\partial E_x}{\partial y}\]

Notice here instead of using only one scalar \(\rho^*\), we use anisotropic \(\mathbf{\rho}^* = \mathrm{diag}(\sigma_1^*, \sigma_2^*)\). Let’s then consider a wave whose electric field of magnitude \(E_0\) forms an angle \(\varphi\) with the y-axis. If a plane wave propagates in the PML, then the 4-component field can be expressed as

\[E_x = -E_0\sin\varphi \,e^{i\omega(t-\alpha x-\beta y)},\;E_y = E_0\cos\varphi\, e^{i\omega(t-\alpha x-\beta y)},\, H_x = H_{x0}\,e^{i\omega (t-\alpha x-\beta y)},\, H_y = H_{y0}\,e^{i\omega(t-\alpha x-\beta y)}\]

By substituting them back into the equations, we get

\[E_0\cos\varphi-i\frac{\sigma_1}{\omega} E_0\cos\varphi=\alpha( H_{x0} + H_{y0})\]
\[E_0\sin\varphi -i \frac{\sigma_2}{\omega}E_0\sin\varphi = \beta(H_{x0}+H_{y0})\]
\[H_{x0} - i\frac{\sigma_1^*}{\omega}H_{x0} = \alpha E_0 \cos\varphi\]
\[H_{y0}-i\frac{\sigma_2^*}{\omega}H_{y0} = \beta E_0 \sin\varphi\]

By substituting \(H_{x0},\,H_{y0}\) back into the first two equations, we get

\[(1-i\frac{\sigma_2}{\omega})\sin\varphi = \beta \left[ \frac{\alpha \cos\varphi}{1-i\sigma_1^*/\omega} + \frac{\beta\sin\varphi}{1-i\sigma_2^*/\omega} \right]\]
\[(1-i\frac{\sigma_1}{\omega})\cos\varphi = \alpha \left[ \frac{\alpha \cos\varphi}{1-i\sigma_1^*/\omega} +\frac{\beta\sin\varphi}{1-i\sigma_2^*/\omega} \right]\]

Therefore, \(\alpha,\beta\) satisfy the following identity

\[\frac{\beta}{\alpha} = \frac{\sin\varphi}{\cos\varphi} \frac{1-i\sigma_2/\omega}{1-i\sigma_1/\omega}\]

There are two sets of \((\alpha,\beta)\) with opposite signs, which stand for two opposite propagation directions. Only keeping the positive sign, we have

\[\alpha = \frac{1}{G}\left(1-i\frac{\sigma_1}{\omega}\right)\cos\varphi,\quad \beta = \frac{1}{G}\left(1-i\frac{\sigma_2}{\omega}\right)\sin\varphi\]
\[G=\sqrt{w_x\cos^2\varphi + w_y \sin^2\varphi},\quad w_1 = \frac{1-i\sigma_1/\omega}{1-i\sigma_1^*/\omega},\quad w_2=\frac{1-i\sigma_2/\omega}{1-i\sigma_2^*/\omega}\]

The field can be written as

\[\psi = \psi_0 \exp i\omega [t-(x\cos\varphi+y\sin\varphi)/G]\cdot\exp[-\sigma_1 x\cos\varphi / G]\cdot\exp[-\sigma_2y\sin\varphi/G]\]

in which \(\psi = \{E_x,E_y,H_x,H_y\}\). The amplitudes satisfy

\[H_{x0} = \frac{E_0}{G}w_x\cos^2\varphi,\; H_{y0} = \frac{E_0}{G}w_y\sin^2\varphi\Rightarrow H_0=GE_0\]

Thus, the impedance is

\[Z= \frac{E_0}{H_0}=\frac{1}{G}\quad(=1\text{ if } \sigma_{1,2}^*=\sigma_{1,2})\]

When \(G=1\) we get the field solutions

\[\psi = \psi_0\exp i\omega[t-(x\cos\varphi+y\sin\varphi)]\cdot \exp[-\sigma_1 x\cos\varphi]\cdot \exp[-\sigma_2 y \sin\varphi]\]

which decays exponentially along \(x\) and \(y\). Moreover, as the impedance matches the vacuum impedance, there should be no reflection from the interface.

To better understand the reflection at PML-PML interfaces, we study the inclined incidence. Now we first consider the interface normal to \(x\) along \(y\). Taking two points, A, B, along the interface, the field components satisfy

\[\frac{\psi_t(B)}{\psi_i(B)}=\frac{\psi_t(A)}{\psi_i(A)},\quad \psi_{i,t}(B)=\psi_{i,t}(A)\exp[-i\omega\,d\sin\theta_{i,t}/G_{i,t}-(\sigma_2)_{i,t}d\sin\theta_{i,t}/G_{i,t}]\]

As \(d\) is random, the angles \(\theta_{i,t}\) should satisfy

\[\left(1-i\frac{\sigma_{2,i}}{\omega}\right)\frac{\sin \theta_i}{G_i}=\left(1-i\frac{\sigma_{2,t}}{\omega}\right)\frac{\sin \theta_t}{G_t}\]

where

\[G_k = \sqrt{w_{1k}\cos^2\theta_k+w_{2k}\sin^2\theta_k},\quad k = i,t\]

Along with \(\theta_r = \pi-\theta_i\), it forms the Snell-Descartes law at the PML-PML interface. Furthermore, for the TE case, the reflection is

\[r_p = \frac{Z_t\cos\theta_t-Z_i\cos\theta_i}{Z_t\cos\theta_t+Z_i\cos\theta_i}=\frac{G_i\cos\theta_t-G_t\cos\theta_i}{G_i\cos\theta_t+G_t\cos\theta_i}\]

when the two PMLs are impedance matched, i.e. \(\sigma_{1,t} = \sigma_{1,t}^*,\,\sigma_{1,i}=\sigma_{1,i}^*,\,\sigma_2=\sigma_2^*\Rightarrow G_i=G_t\), we finally have \(r_p=0\). Similarly, if an interface is normal to \(y\) along \(x\), the reflection is null if two PMLs matched.

Now we can move on to the setup of PMLs. In simulation, a PML is first used to absorb the outgoing wave energy and then the tail is reflected with a PEC. Theoretically, a PML with uniform \(\sigma\) can be applied without causing arbitrary small reflection, e.g. when thickness is \(\delta\) and the incidence angle is \(\theta\)

\[\psi(\rho) = \psi(0) e^{-\sigma\cos\theta\,\rho},\;R(\theta)= e^{-2\sigma\cos\theta\,\delta}\]

However, numerical reflections will happen due to discretization in practice. Graded conductivity is then used to mitigate numerical reflection, e.g. \(\sigma(\rho) = \sigma_m (\rho/\delta)^n\)

\[R(\theta) = \exp\left[-2\cos\theta \int_0^\delta \sigma(\rho)\,\dif\rho\right]=\exp\left[-\frac{2}{n+1}\sigma_m\delta \cos\theta\right]\]

Now we can move on to the stability analysis. Define \(U = (H_z,E_y,E_x)^T\) and

\[\mathrm{E}(t) = \int_{\mathbb{R}^2} \left(\left|\frac{\partial U}{\partial t}\right|^2+\left|\frac{\partial U}{\partial x}\right|^2+\left|\frac{\partial U}{\partial y}\right|^2\right)\dif x\dif y,\quad ||H_x(t)||^2_0=\int_{\mathbb{R}^2}H_x^2\dif x\dif y\]

The two conditions are called Weak Stability, since the \(L^2\)-norms of \(H_{x,y}\) are not only bounded by the \(L^2\)-norms of the initial data, but also bounded by that of the derivatives. This property may cause instabilities in numerical computations.

(2) Unsplit-field UPML

Using the modified Maxwell’s equations in \(k\)-space

\[\mathbf{k}_e \times \mathbf{E} = \omega \mu\mathbf{ H},\quad \mathbf{k}_h \times \mathbf{H}=-\omega \epsilon\mathbf{ E}\]
\[\mathbf{k}_e = \hat{x}\frac{k_x}{e_x}+\hat{y}\frac{k_y}{e_y}+\hat{z}\frac{k_z}{e_z},\quad \mathbf{k}_h = \hat{x}\frac{k_x}{h_x}+\hat{y}\frac{k_y}{h_y}+\hat{z}\frac{k_z}{h_z}\]

Combining the equation above, we have

\[-\omega^2\mu\epsilon \mathbf{H} = \mathbf{k}_e\times \mathbf{k}_h \times \mathbf{H}=\mathbf{k}_h(\mathbf{k}_e\cdot\mathbf{H}) - (\mathbf{k}_e\cdot\mathbf{k}_h)\mathbf{H}\]

As the magnetic divergence equation leads to \(\mathbf{k}_e\cdot\mathbf{H}=0\) for homogeneous medium, we finally get the dispersion relation

\[\omega^2\mu\epsilon = \mathbf{k}_e\cdot \mathbf{k}_h = k^2 = \sum_i\frac{1}{e_i h_i} k_i^2\]

When perfectly matched (Condition 1 - Wave Impedance Match), i.e., \(e_i=h_i\equiv s_i\), the wave impedance is therefore

\[\eta = \frac{|\mathbf{E}|}{|\mathbf{H}|} = \frac{|\mathbf{k}_h|}{\omega\epsilon} = \sqrt{\frac{\mu}{\epsilon}}\]

However, this condition doesn’t necessarily mean no reflection at any angles. Further conditions should be satisfied. Now consider an \(xy\)-interface separating two PML layers denoted as \(i,t\), both of which holds a dispersion relation

\[\omega^2\mu\epsilon=\frac{k_{ix}^2}{s_{ix}^2}+\frac{k_{iy}^2}{s_{iy}^2}+\frac{k_{iz}^2}{s_{iz}^2}=\frac{k_{tx}^2}{s_{tx}^2}+\frac{k_{ty}^2}{s_{ty}^2}+\frac{k_{tz}^2}{s_{tz}^2}\]

The phase matching requires the tangential wave vectors should be continuous, i.e. \(k_{ix} = k_{tx},\, k_{iy}=k_{ty}\). In addition, the tangential fields should be continuous as well, i.e.,

\[\text{TE mode: }\qquad\qquad(\mathrm{E}_i)_{xy} = (\mathrm{E}_t)_{xy},\quad (\mathrm{H}_i)_{xy} = (\mathrm{H}_t)_{xy} \; \Leftrightarrow\; (\mathbf{k}_{e,i}\times \mathbf{E}_i)_{xy} = (\mathbf{k}_{e,t}\times \mathbf{E}_t)_{xy} \;\Rightarrow\; \frac{s_{iz}\mu_i}{k_{iz}} = \frac{s_{tz}\mu_t}{k_{tz}}\]
\[\text{TM mode: }\qquad\qquad(\mathrm{H}_i)_{xy} = (\mathrm{H}_t)_{xy},\quad (\mathrm{E}_i)_{xy} = (\mathrm{E}_t)_{xy} \; \Leftrightarrow\; -(\mathbf{k}_{h,i}\times \mathbf{H}_i)_{xy} = -(\mathbf{k}_{h,t}\times \mathbf{H}_t)_{xy} \;\Rightarrow\; \frac{s_{iz}\epsilon_i}{k_{iz}} = \frac{s_{tz}\epsilon_t}{k_{tz}}\]

Assuming both sides have the same vacuum \(\epsilon_i = \epsilon_t = \epsilon_0,\,\mu_i=\mu_t=\mu_0\), we conclude the previous conditions as the Condition 2 - Arbitrary Angle Match

\[\begin{cases} k_{ix} = k_{tx},\, k_{iy}=k_{ty},\,\frac{k_{iz}}{s_{iz}} = \frac{k_{tz}}{s_{tz}},\ \frac{k_{ix}^2}{s_{ix}^2}+\frac{k_{iy}^2}{s_{iy}^2}+\frac{k_{iz}^2}{s_{iz}^2}=\frac{k_{tx}^2}{s_{tx}^2}+\frac{k_{ty}^2}{s_{ty}^2}+\frac{k_{tz}^2}{s_{tz}^2} \end{cases} \quad \Rightarrow \quad s_{ix}=s_{tx},\,s_{iy}=s_{ty},\, s_{iz},\,s_{tz}\]

This indicates that a PML should be stretched along the normal direction, while the other two directions remain unchanged. Around edges and corners where the normal directions are ill-defined, several strategies can be applied

  • Prioritized Bypass: Simply assign the edges/corners to one PML class with respect to priority e.g. x-PML > y-PML > z-PML
  • Multi-direction Stretching: For example, at the edge of x-PML \((s_x,1,1,s_x,1,1)\) and y-PML \((1,s_y,1,1,s_y,1)\), we can use \((s_x,s_y,1,s_x,s_y,1)\) which supports modes decaying along both \(x\) and \(y\) direction.

Moreover, the coordinate stretching is equivalent to a transformation of \(\epsilon, \mu\) according to the transformation optics.

For the coordinate scaling, i.e. \(\mathbf{\Lambda}=\mathrm{diag}(s_x,s_y,s_z)\), used in UPMLs, we can therefore obtain equivalent expressions in conventional Euclidean space with

\[\mathbf{\epsilon} = \det(\mathbf{\Lambda})\mathbf{\Lambda}^{-1} \epsilon_0 \mathbf{\Lambda}^{-T} = \epsilon_0 \,\mathrm{diag}(\frac{s_ys_z}{s_x}, \frac{s_xs_z}{s_y}, \frac{s_xs_y}{s_z}),\quad \mathbf{\mu} = \mu_0 \,\mathrm{diag}(\frac{s_ys_z}{s_x}, \frac{s_xs_z}{s_y}, \frac{s_xs_y}{s_z})\]