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4/24/2021
1
Computational Science:
Introduction to Finite‐Difference Time‐Domain
The Perfectly Matched Layer
Lecture Outline
• Review of Lecture 12
• Background Information
• The Uniaxial Perfectly Matched Layer (UPML)
• Calculating the PML parameters
• Convolutional PML (CPML)
• Incorporating a UPML into Maxwell’s equations
• Final Notes About PMLs
Slide 2
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Slide 3
Review
Effect of “Windowing” on FDTD Spectrum
Slide 4
• Long simulation time•Wide window• Narrow window spectrum• Less “blurring”• High frequency resolution
•Moderate simulation time•Moderate window•Moderate window spectrum•More “blurring”• Reduced frequency resolution
• Short simulation time• Narrow window•Wide window spectrum•Much “blurring”• Poor frequency resolution
W H
h t
w t
H W
W
H
h t
w t
H W
W
H
h t
w t
H W
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Ensuring Sufficient Iterations to Resolve f
Slide 5
Given the time step t, the Nyquist sampling theorem quantifies the highest frequency that can be resolved.
max
1
2f
t
Given the FDTD simulation runs for STEPS number of iterations, the frequency resolution is
max2 1
STEPS STEPS
ff
t
Therefore, to resolve the frequency response down to a resolution of f, the number of iterations required is
1STEPS
t f
Note: In practice, you should setmax
1 10t
t
t NN f
Notes:1. This is related to the uncertainty principle.2. You can calculate kernels for very finely spaced frequency
points, but the actual frequency resolution is still limited by the windowing effect. Your data will be “blurred.”
Dielectric Smoothing
Slide 6
Physical Device
Conventional Representation on Grid
Representation on Gridwith Dielectric Smoothing
x
y
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Anisotropic Dielectric Smoothing
Slide 7
Given the simulation problem defined by
11
smooth N̂
D E
Convergence rate can be improved by smoothing the dielectric function according to
2
2
2
ˆx x y x z
y x y y z
z x z y z
n n n n n
N n n n n n
n n n n n
Dielectric Smoothing of a Sphere
Slide 8
Given a sphere with dielectric constant r=5.0 in air and in a grid with Nx=Ny=Nz=25 cells, the dielectric tensor after averaging is
xy cross section
xz cross section
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2× Grid Technique
Slide 9
The 2× grid is only used for building devices on a Yee grid.It is not used anywhere else!
Concept of the 2× Grid
Slide 10
i
j
i
j
The Conventional 1× Grid
y
x
Due to the staggered nature of the Yee grid,
we are effectively getting twice the
resolution.
i
j
It now makes sense to talk
about a grid that is at twice the resolution, the
“2× grid.”
Ez
Hy
HxThe 2× grid concept is useful because we can create devices (or PMLs) on the 2× grid without having to think about where the different field components are located. In a second step, we can easily pull off the values from the 2× grid where they exist for a particular field component.
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Parsing the Materials From 2× to 1× Grid
Slide 11
Ez
Hy
Hx
ERzz
URxx
URyy
Slide 12
Background
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7
Tensors
Slide 13
Tensors are a generalization of a scaling factor where the direction of a vector can be altered in addition to its magnitude.
V
aV
V a V
Scalar Relation
Tensor Relation
xx xy xz
yx yy yz
zx zy zz
x
y
z
a a a
a a a a
a a a
V
V V
V
Reflectance from a Surface with Loss
Slide 14
Complex Refractive Index
on n j
o ordinary refractive index oscillation
extinction coefficient decay
n
Reflectance from a lossy surface
n n j
2 2o
2 2o
1
1
nR
n
air
** Loss contributes to reflections
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8
Reflection, Transmission and Refraction at an Interface:Isotropic Case
Slide 15
TE Polarization
2 1 1 2 2 1TE TE
2 1 1 2 2 1 1 2
cos cos 2 cos
cos cos cos cosr t
TM Polarization
2 2 1 1 2 1TM TM
1 1 2 2 1 1 2 2
cos cos 2 cos
cos cos cos cosr t
Angles
inc ref 1
1 1 2 2sin sinn n
Snell’s Law
refractive index in region impedance in region i in i i
1 1,n
2 2,n
Maxwell’s Equations in Anisotropic Media
Slide 16
Maxwell’s curl equations in anisotropic media are:
0 r 0 r H j E E j H
These can also be written in a matrix form that makes the tensor aspect of and more obvious.
0
0
0
0
0
0
0
0
z y x xx xy xz x
y yx yy yz yz x
z zx zy zz zy x
z y x xx xy xz
y yx yy yzz x
z zx zy zzy x
H E
H j E
H E
E
E j
E
x
y
z
H
H
H
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Types of Anisotropic Media
Slide 17
There are three basic types of anisotropic media:
iso
iso
iso
o
o
e
a
b
c
0 0
0 0 isotropic
0 0
0 0
0 0 uniaxial
0 0
0 0
0 0 biaxial
0 0
Note: terms only arise in the off‐diagonal positions when the tensor is rotated relative to the coordinate system.
(𝜀 & 𝜀 ) Vs. (𝜀 & 𝜎)
Slide 18
There are two ways to incorporate loss into Maxwell’s equations.
At very low frequencies and/or for time‐domain analysis, the (𝜀 & 𝜎) system is usually preferred.
0 r 0 rH J j D E j E j E
At high frequencies and in the frequency‐domain, (𝜀 & 𝜀 ) is usually preferred.
0 rH j D j E
The parameters are related through
r r0j
This will be used for FDTD
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10
Maxwell’s Equations in Doubly‐Diagonally Anisotropic Media
Slide 19
Maxwell’s equations for diagonally anisotropic media can be written as
0 0
0 00 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
z y z yx xx x x xx x
y yy y y yy yz x z x
z zz z z zz zy x y x
H E E H
H j E E j H
H E E H
0
0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
Ez y x x x x
Ey y y yz x
Ez z z zy x
Hz y x x x
Hy y yz x
Hz z zy x
H j E
H j j E
H j E
E j
E j j
E j
x
y
z
H
H
H
This can be generalized even further by incorporating loss.
Scattering at a Doubly‐Anisotropic Interface
Slide 20
Reflection from a diagonally anisotropic material is
1 2TE
1 2
1 2TM
1 2
cos cos
cos cos
cos cos
cos cos
a br
a b
a br
a b
Refraction into a diagonally anisotropic materials is described by
1 2sin sinbc r r
0 0
0 0
0 0
a
b
c
Sacks, Zachary S., et al. "A perfectly matched anisotropic absorber for use as an absorbing boundary condition." IEEE Trans. Antennas and Propagation, Vol. 43, No. 12, pp. 1460-1463, 1995.
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Notes on a Single Interface
• It is a change in impedance that causes reflections• Snell’s Law quantifies the angle of transmission•Angle of transmission and reflection does not depend on polarization• The Fresnel equations quantify the amount of reflection and transmission•Amount of reflection and transmission depends on the polarization
Slide 21
Slide 22
The Uniaxial Perfectly Matched Layer (UPML)
S. Zachary, D. Kingsland, R. Lee, J. Lee, “A Perfectly Matched Anisotropic Absorber for Use as an Absorbing Boundary Condition,” IEEE Trans. on Ant. and Prop., vol. 43,
no. 12, pp 1460–1463, 1995.
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12
Boundary Condition Problem
Slide 23
If we model a wave hitting some device or object, it will scatter the applied wave into potentially many directions. We do NOT want these scattered waves to reflect from the boundaries of the grid. We also don’t want them to reenter from the other side of the grid (periodic boundaries).
?
?How can reflections from the boundary be eliminated?
x
y
No PAB in Two Dimensions
Slide 24
If we simulate a wave hitting some device or object, it will scatter the applied wave into potentially many directions. Waves at different angles travel at different speeds through a boundary. Therefore, the PAB condition can only be satisfied for one direction, not all directions.
fastest
slowest
x
y
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Simulation Without a PML
Slide 25
Simulation With a PML
Slide 26
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How Reflections are Prevented in the Lab
Slide 27
In the lab, anechoic foam is used to absorb outgoing waves.
Absorbing Boundary Conditions
Slide 28
Introduce loss at the boundaries of the grid!
0
0
x
y
Absorbing Boundary
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Oops!!
Slide 29
But if loss is introduced, reflections are also introduced from the lossy regions!!
0
0
2 2
2 2
1
1
nR
n
x
y
Match the Impedance
Slide 30
Loss must be incorporated to absorb outgoing waves, but the impedance must also remain matched to the problem space to prevent reflections.
r r rj
introduce loss here
adjust this to maintain constant impedance
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More Trouble?
Slide 31
By examining the Fresnel equations, it is observed that reflections can only be eliminated from an interface at one frequency, one angle of incidence, and one polarization.
2 1 1 2 2TE 2 1
2 1 1 2 1
cos cos cos0
cos cos cosr
2 2 1 1 1TM 2 1
1 1 2 2 2
cos cos cos0
cos cos cosr
Anisotropy to the Rescue!!
Slide 32
It turns out reflections can be eliminated at all angles and for all polarizations if the absorbing material is made to be doubly‐diagonally anisotropic.
and
and
x
y
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Problem Setup for the UPML
Slide 33
1 21
0%
100%
0 0, Free Space
,
z
Designing Anisotropy for Zero Reflection (1 of 3)
Slide 34
The impedance of the PML must be perfectly matched to the impedance of the grid.
everywhere
One easy way to ensure impedance is perfectly matched is:
r r
0 0
0 0
0 0
a
b
c
For now, the elements along the diagonal are set to a, b, c.
Next, rules for these will be determined.
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Designing Anisotropy for Zero Reflection (2 of 3)
Slide 35
The reflection coefficients reduce to
1 2TE
1 2
1 2TM
1 2
cos cos
cos cos
cos cos
cos cos
a b a br
a b a b
a b a br
a b a b
If 𝑏𝑐 1 is chosen, then the refraction equation reduces to
1 2 2 1 2sin sin sin bc
The amount of reflection is no longer a function of angle!!
No refraction!
Designing Anisotropy for Zero Reflection (3 of 3)
Slide 36
TE
TM
0
0
a br
a b
a br
a b
Further, if 𝑎 𝑏 is chosen, the reflection equations reduce to
Recall the necessary conditions: 1 and bc a b
Reflection will always be zero regardless of frequency, angle of incidence, or polarization!!
1b
c
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The PML Parameters (1 of 3)
Slide 37
1a b
c
So far, the tensors for the UPML are
r r
0 0
0 0
0 0
a
b
c
Thus, the PML in terms can be written in terms of just one parameter sz.
1
0 0
0 0
0 0
z
z z
z
s
S s
s
This is for a wave travelling in the +z direction incident on a z‐axis boundary.
This form of tensor is why we call this a uniaxial PML.
The PML Parameters (2 of 4)
Slide 38
Recall the complex permittivity 𝜀̃ is related to the conductivity 𝜎 and real‐valued permittivity 𝜀 through
r r0
j j
The PML parameters act like the complex relative permittivity 𝜀̃ so we already know how to adjust it to control loss.
r0
zsj
r PML fictitious relative permittivity
PML fictitious conductivity
For simplicity, set 𝜀 1.
0
1zsj
Many PML implementations use 𝜀 1 in order to better handle evanescent fields.
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20
The PML Parameters (3 of 4)
Slide 39
A UPML is potentially needed along all the borders.
1
1
1
0 0 0 0 0 0
0 0 0 0 0 0
0 0 0 0 0 0
x y z
x x y y z z
x y z
s s s
S s S s S s
s s s
These can be combined into a single tensor quantity.
0 0
0 0
0 0
y z
x
x zx y z
y
x y
z
s s
s
s sS S S S
s
s s
s
The PML Parameters (4 of 4)
Slide 40
The 3D PML can be visualized this way…
0 0
0 0
0 0
y z
x
x z
y
x y
z
s s
s
s sS
s
s s
s
1zs
1zs
1xs
1xs 1ys
1ys
x y
z
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21
Two‐Dimensional UPML
Slide 41
For 2D simulations in the x-y plane, sz = 1 and the UPML tensor reduces to
0 0
0 0
0 0
y
x
x
y
x y
s
s
sS
s
s s
x
y
1ys
1ys
1x ys s
Slide 42
Incorporating a UPML into Maxwell’s Equations
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22
Incorporating a UPML into Maxwell’s Equations
Slide 43
0 rE j H
H E j D
0 rD E
Before incorporating a PML, Maxwell’s equations in the frequency‐domain are
The PML 𝑆 can be incorporated independent of the actual materials on the grid as follows:
0 rE j H
H E j D
S
S
0 rD E
Normalize Maxwell’s Equations with UPML
Slide 44
Normalize the electric field quantities according to
Maxwell’s equations with the UPML and normalized fields are
r
0
00
E j S Hc
jH E S D
c
rD E
0
0 0
1E E E
0
0 0
1D D c D
Keeping 𝑆 separate from 𝜇and 𝜀 allows the UPML to be handled independently from the materials and devices being simulated.
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23
Matrix Form of Maxwell’s Equations
Slide 45
Maxwell’s equations can be written in matrix form as
x xx xy xz x
y yx yy yz y
z zx zy zz z
D E
D E
D E
1
1
0 1
0 0 01
0 0 0
0 0 0
0
0
0
z y x xx xy xz x y z x
y yx yy yz x y z yz x
z zx zy zz x y z zy x
z y x
yz x
y x
E s s s H
E j s s s Hc
E s s s H
H
H
H
1
10
0 1
0 0
0 0
0 0
xx xy xz x x y z x
yx yy yz y x y z y
z zx zy zz z x y z z
E s s s Dj
E s s s Dc
E s s s D
Assume Only Diagonal Tensors
Slide 46
To keep the FDTD algorithm simple, assume that [], [], and [] contain only diagonal terms.
x xx xy xz x
y yx yy yz y
z zx zy zz z
D E
D E
D E
1
1
0 1
0 0 01
0 0 0
0 0 0
0
0
0
z y x xx xy xz x y z x
y yx yy yz x y z yz x
z zx zy zz x y z zy x
z y x
yz x
y x
E s s s H
E j s s s Hc
E s s s H
H
H
H
1
10
0 1
0 0
0 0
0 0
xx xy xz x x y z x
yx yy yz y x y z y
z zx zy zz z x y z z
E s s s Dj
E s s s Dc
E s s s D
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Assume Only Diagonal Tensors
Slide 47
To keep the FDTD algorithm simple, assume that [], [], and [] contain only diagonal terms.
0 0
0 0
0 0
x xx x
y yy y
z zz z
D E
D E
D E
1
1
0 1
0 0 0 0 01
0 0 0 0 0
0 0 0 0 0
0
0
0
z y x xx x y z x
y yy x y z yz x
z zz x y z zy x
z y x
yz x
zy x
E s s s H
E j s s s Hc
E s s s H
H
H
H
1
10
0 1
0 0 0 0
0 0 0 0
0 0 0 0
xx x x y z x
yy y x y z y
zz z x y z z
E s s s Dj
E s s s Dc
E s s s D
Vector Expansion of Maxwell’s Equations
Slide 48
0
0
0
y y zz xxx
x
yyx z x zy
y
y x yx zzz
z
E s sEj H
y z c s
E E s sj H
z x c s
E s sEj H
x y c s
x xx x
y yy y
z zz z
D E
D E
D E
00
00
00
y y zzxx x x
x
x z x zyy y y
y
y x yxzz z z
z
H s sH jE D
y z c s
H H s sjE D
z x c s
H s sH jE D
x y c s
0
rE j s Hc
rD E
00
jH E s D
c
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25
Final Form of Maxwell’s Equations with UPML
Slide 49
1
0
0 0 0
1
0
0 0 0
0 0
1 1 1
1 1 1
1 1 1
y yzx zx
xx
y x zx zy
yy
yx
EEcj H
j j j y z
E Ecj H
j j j z x
jj j
1
0
0
y xzz
zz
E EcH
j x y
x xx x
y yy y
z zz z
D E
D E
D E
1
00 0 0 0
1
00 0 0 0
0 0
1 1 1
1 1 1
1 1
y yzx xxzx x
y yyx zx zy y
yx
HHj D c E
j j j y z
H Hj D c E
j j j z x
jj j
1
00 0
1 y xz zzz z
H HD c E
j x y
0
rE j s Hc
rD E
00
jH E s D
c
Slide 50
Convolutional Perfectly Matched Layer (CPML)
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26
The Uniaxial PML
Slide 51
0 rE k HS 0 rH k ES
Maxwell’s equations with uniaxial PML are:
0 0
0 0
0 0
y z
x
x z
y
x y
z
s s
s
s s
s
s s
S
s
Rearrange the Terms
Slide 52
0 r
1HS E k 0 r
1H k ES
The PML tensor can be brought to the left side of the equations and be associated with the curl operator.
The curl operator is now
1 1
1 1 1
1 1
1 1
1 1
1 1
0
0
0 0
0 0
0 0 0
0
0
0
x x
y z z y
y y
x z z x
z z
x y y x
z y
z x
y
z y x
z y x
z y x
s ss s s s
s s
s s s s
s ss s s
x
z y
z x
sy x
s s s
S s s s
s s s
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“Stretched” Coordinates
Slide 53
The new curl operator is
1 1
1 1 1
1 1
0
0
0
x x
y z z y
y y
x z z x
z z
x y y x
s ss s s s
s s
s s s s
s ss s s
z y
z x
y xs
S
The factors sx, sy, and sz are effectively “stretching” the coordinates, but they are “stretching” into a complex space. Weird, huh?
Drop the Other Terms
Slide 54
Justification
0 x
y
s
s
s
1 x
z zs zss
1
y
y
x
s y
s
s
1 0 y
zzs z
s
s 1
z
x
x
s x
ss
1 z
y ys yss
1 1
1 1
1 11
0
0
00
z y
z x
y xx
s z s y
s z s x
s y s xs x
Drop the non‐stretching terms.
1 1z z
y
xs s s
s
z z Inside the z‐PML, sx = sy = 1. This is valid everywhere except at the extreme corners of the grid
where the PMLs overlap.
This also implies that the UPML and SC‐PML have nearly identical performance in terms of reflections, sensitivity to angle of incidence, polarization, etc.
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Maxwell’s Equations with a Stretched Coordinate PML (SC‐PML)
Slide 55
0 r
0 r
E k H
H k E
Maxwell’s equations before the PML is added are
0 r
0 r
s
s
E k H
H k E
r r xx xy xz xx xy xz
yx yy yz yx yy yz
zx zy zz zx zy zz
The SC‐PML is incorporated as follows.
1 1
1 1
1 1
0
0
0
z y
z x
y x
s z s y
s z x
s y s x
s s
Vector Expansion
Slide 56
0
0
0
0
0
1 1
1 1
1 1
1 1
1 1
1
yzxx x xy y xz z
y z
x zyx x yy y yz z
z x
y xzx x zy y zz z
x y
yzxx x xy y xz z
y z
x zyx x yy y yz z
z x
x
HHk E E E
s y s z
H Hk E E E
s z s x
H Hk E E E
s x s y
EEk H H H
s y s z
E Ek H H H
s z s x
s
0
1y xzx x zy y zz z
y
E Ek H H H
x s y
Fully Anisotropic Diagonally Anisotropic
0
0
0
0
0
0
1 1
1 1
1 1
1 1
1 1
1 1
yzxx x
y z
x zyy y
z x
y xzz z
x y
yzxx x
y z
x zyy y
z x
y xzz z
x y
HHk E
s y s z
H Hk E
s z s x
H Hk E
s x s y
EEk H
s y s z
E Ek H
s z s x
E Ek H
s x s y
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Convolutional PML (CPML)
Slide 57
A convolutional PML is a SC‐PML that is solved efficiently in the time‐domain.
0
0
0
0
0
0
1 1
1 1
1 1
1 1
1 1
1 1
yzxx x
y z
x zyy y
z x
y xzz z
x y
yzxx x
y z
x zyy y
z x
y xzz z
x y
HHk E
s y s z
H Hk E
s z s x
H Hk E
s x s y
EEk H
s y s z
E Ek H
s z s x
E Ek H
s x s y
We have a multiplication operation in the frequency‐domain.
This becomes convolution in the time‐domain.
Why a UPML for This Course?
• A CPML (or SC‐PML) is currently the state‐of‐the‐art in FDTD.• A UPML offers benefits to frequency‐domain models that are useful for beginners. • The models can be formulated and implemented without considering the PML. The PML is incorporated simply by adjusting the values of permittivity and permeability at the edges of the grid.
• Implementing a UPML in this course offers better continuity going into the following course, Computational Electromagnetics.
Slide 58
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Slide 59
Calculating the PML Parameters
The Perfectly Matched Layer (PML)
Slide 60
The perfectly matched layer (PML) is an absorbing boundary condition (ABC) where the impedance is perfectly matched to the problem space. Reflections entering the lossy regions are prevented because impedance is matched. Reflections from the grid boundary are prevented because the outgoing waves are absorbed.
PML
PML
PMLP
ML
ProblemSpace
0y
0x
0x y z
0y
0x
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Typical Grid Schemes
Slide 61
20cells
20cells
Periodic Boundary
Perio
dic B
oundary
PML
PML
20 cells20 cells
PML
PML
PML
PML
spacerregion
Periodic Devices Finite Devices
Justification for the Spacer Regions
Slide 62
The refractive index is high inside the PML so evanescent waves can become propagating waves, giving an unintended escape path for power.
PML
PML
PML
PML
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Calculating the PML Loss Terms
Slide 63
For best performance, the loss terms should increase gradually into the PMLs.
3
0
3
0
3
0
2
2
2
xx
yy
zz
xx
t L
yy
t L
zz
t L
0
0
0
1
1
1
xx
yy
zz
xs x
j
ys y
j
zs z
j
? length of the PML in the ? directionL
Visualizing the PML Loss Terms – 2D
Slide 64
For best performance, the loss terms should increase gradually into the PMLs.
x x y y x
y
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Note About x/Lx, y/Ly, and z/Lz
Slide 65
and and x y z
x y z
L L L
The following ratios provide a single quantity that goes from 0 to 1 as you move through a PML region.
, , position within PML
, , size of PMLx y z
x y z
L L L
The same ratio can be calculated using integer indices from the grid.
nx = 1, 2, ... , NXLO nx nx or
nx = 1, 2, ... , NXHI NXLO NXHI
ny = 1, 2, ... , NYLO ny ny or
ny = 1, 2, ... , NYHI NYLO NYHI
nz = 1, 2, ... , NZLO nz nz or
nz = 1NZLO NZHI
x
y
z
x
L
y
L
z
L
, 2, ... , NZHI
0 1x
x
L
0 1x
x
L
Visualizing the Calculation of x in 2D
Slide 66
1
NXLO
Nx
x(x) = 0
% ADD XLO PMLfor nx = 1 : NXLO
…ox(NXLO-nx+1,:) = ...
end
% ADD XHI PMLfor nx = 1 : NXHI
…ox(Nx-NXHI+nx,:) = ...
end
x(x
) =
m
ax(x
/Lx)
3 x (x) =
m
ax (x/Lx ) 3
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Visualizing the Calculation of y in 2D
Slide 67
1
NYLO
Ny
Ny – NYHI + 1
% ADD YLO PMLfor ny = 1 : NYLO
…oy(:,NYLO-ny+1) = ...
end
% ADD YHI PMLfor ny = 1 : NYHI
…oy(:,Ny-NYHI+ny) = …
end
y(y) = 0
y(y) = max(y/Ly)3
y(y) = max(y/Ly)3
Procedure for Calculating x and y on a 2D Grid
Slide 68
1. Initialize x and y to all zeros.
, , 0x yx y x y
2. Fill in x‐axis PML regions using two for loops.
3. Fill in y‐axis PML regions using two for loops.
NXLO NXHI
NYLO
NYHI
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Slide 69
Final Notes About PMLs
PMLs Are Not Perfect
Slide 70
PML absorbing boundary conditions are not perfect absorbers. They still reflect waves!
Reflection from PML
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The PML is Not a Boundary Condition
Slide 71
A numerical boundary condition is the rule you follow when a finite‐difference equation references a field from outside the grid.
The PML does not address this issue.
It is simply a way of incorporating loss while preventing reflections so as to absorb outgoing waves.
Sometimes it is called an absorbing boundary condition, but this is still a
misleading title because the PML is not a boundary condition.
UPML Vs. SC‐PML
Slide 72
Uniaxial PML Stretched‐Coordinate PML
Benefits
• Has a physical interpretation• Models can be formulated and
implemented without considering the PML in the frequency‐domain
Benefits
• Less computationally intensive in time‐domain
• More efficient implementation in the time‐domain
• Matrices are better conditioned.
Drawbacks
• Can be more computationally intensive to implement in time‐domain
• Resulting matrices are less well conditioned in the frequeny‐domain
Drawbacks
• Must be accounted for in the formulation and implementation of the numerical method.
• Not intuitive to understand