This document discusses unconditionally stable finite-difference time-domain (FDTD) methods for solving Maxwell's equations numerically. It outlines FDTD algorithms such as Yee's method from 1966 which discretize the equations on a staggered grid. It also discusses the von Neumann stability analysis and compares implicit Crank-Nicolson and alternating-direction implicit methods to conventional explicit FDTD methods. The document notes the advantages of unconditionally stable methods but also mentions potential disadvantages.
The all-electron GW method based on WIEN2k: Implementation and applications.ABDERRAHMANE REGGAD
The all-electron GW method based on WIEN2k:
Implementation and applications.
Ricardo I. G´omez-Abal
Fritz-Haber-Institut of the Max-Planck-Society
Faradayweg 4-6, D-14195, Berlin, Germany
15th. WIEN2k-Workshop
March, 29th. 2008
The all-electron GW method based on WIEN2k: Implementation and applications.ABDERRAHMANE REGGAD
The all-electron GW method based on WIEN2k:
Implementation and applications.
Ricardo I. G´omez-Abal
Fritz-Haber-Institut of the Max-Planck-Society
Faradayweg 4-6, D-14195, Berlin, Germany
15th. WIEN2k-Workshop
March, 29th. 2008
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2. Outlines…………..
1.Some computational methods for
maxwell,s equations.
2.First fdtd algorithm YEE 1966
discritizations.
3.Some problems and condition in
conventional fdtd.
4.Unconditionally stable fdtd use to
solve heat equation
21 march 2012 2
3. Outlines….
5.Imclicit Cranknicolson ADI
Methods
6-Von neumann stability
7.Advantages
8.Disadvantages
9.Conclusion
10.References
21 march 2012 3
4. Maxwell equations:
µ : magnetic permeability
∂H 1
= − ∇ × E, ε : electric permittivity
∂t µ
∂E 1 H = ( H x (t , x, y, z ), H y (t , x, y, z ), H z (t , x, y, z ))
= ∇ × H,
∂t ε magnetic field
∇( εE ) = 0,
E = ( E x (t , x, y, z ), E y (t , x, y, z ), Ez (t , x, y, z ))
∇ ( µH ) = 0
electric field
5. Computational Electromagnetics
Finite-difference Transmission line
time-domain matrix (TLM)
(FDTD)
Finite element
method (FEM) Method of Moments
(MoM)
Finite-difference Fast multipole
frequency-domain method (FMM)
(FDFD)
6. Computational Electromagnetics
Finite-difference Transmission line
time-domain matrix (TLM)
(FDTD)
Finite element
method (FEM) Method of Moments
(MoM)
Finite-difference Fast multipole
frequency-domain method (FMM)
(FDFD)
Frequency
7. FDTD Overview – Updating Equations
Three scalar equations can be obtained from one vector curl equation.
∂Ex ∂H z ∂H y
εx = −
∂t ∂y ∂z
∂E ∂E y ∂H x ∂H z
ε = ∇× H εy = −
∂t ∂t ∂z ∂x
∂Ez ∂H y ∂H x
εz = −
∂H x ∂E y ∂Ez ∂t ∂x ∂y
µx = −
∂t ∂z ∂y
∂H y ∂Ez ∂Ex ∂H
µy = − µ = −∇ × E
∂t ∂x ∂z ∂t
∂H z ∂Ex ∂E y
µz = −
∂t ∂y ∂x 7/60
10. Finite Difference Time Domain
Method
• Divide the interval x into sub-intervals,
each of width h
• Divide the interval t into sub-intervals,
each of width k t
• A grid of points is used for
the finite difference solution
• Ti,j represents T(xi, tj)
• Replace the derivates by x
finite-difference formulas
10
11. The Yee Discretization (1966)
(i, j+1)
(i+1, j+1, k+1)
Hz
Ey
(i, j, k+1) Hz
Hx
Ez Hy (i, j) (i+1, j)
(i+1, j+1, k)
Ex
Ey
(i, j, k) (i+1, j, k)
Ex
Staggered grid in space:
— every field component is stored on a different grid
12. The Yee Discretization (1966)
∂
(i, j+1)
H 1
= ∇ E ⇒L
− ×
∂t µ Ey
Hz
∂Hz 1 ∂Ey ∂Ex
=− −
∂t 1
i+ , j+
1 µ ∂x ∂y (i, j) (i+1, j)
2 2 Ex
1 1 1 1
E (i +1 j + )−Ey (i, j + ) Ex (i + , j +1)−Ex (i + , j)
1 y
,
≈− 2 2 − 2 2
µ ∆x ∆y
+ O(∆x2) + O(∆y2)
all derivatives become center differences…
13. FDTD Overview – Updating Equations
∂Ex ∂H z ∂H y
εx = −
∂t ∂y ∂z
Exn +1 (i, j , k ) − Exn (i, j , k )
ε x (i, j , k ) =
∆t
n + 0.5
H zn + 0.5 (i, j , k ) − H zn + 0.5 (i, j − 1, k ) H y (i, j , k ) − H y + 0.5 (i, j , k − 1)
n
−
∆y ∆z
14. FDTD Overview – Updating Equations
∂H x ∂E y ∂Ez
µx = −
∂t ∂z ∂y
H xn + 0.5 (i, j , k ) − H xn −0.5 (i, j , k )
µ x (i, j , k ) =
∆t
E y (i, j , k + 1) − E y + 0.5 (i, j , k ) Ezn (i, j + 1, k ) − Ezn (i, j , k )
n n
−
∆z ∆y
15. FDTD Overview – Updating Equations
Express the future components in terms of the past components
E y (i, j , k + 1) − E y + 0.5 (i, j , k )
n n
∆t ∆z
H xn + 0.5 (i, j , k ) = H xn −0.5 (i, j , k ) +
µ x (i, j , k ) Ez (i, j + 1, k ) − Ez (i, j , k )
n n
−
∆y
H zn + 0.5 (i, j , k ) − H zn + 0.5 (i, j − 1, k )
∆t ∆y
Exn +1 (i, j , k ) = Exn (i, j , k ) −
ε x (i, j , k ) H y + 0.5 (i, j , k ) − H y + 0.5 (i, j , k − 1)
n n
−
∆z
16. Fundamentals of the FDTD method
Slides from 5-15 may be skipped because it was taught in the class
Accuracy and stability
Accuracy ∆ ≤ λ / 10
1 ∆
Stability ∆ t ≤ ∆ t max = ∆ t ≤ ∆ t max =
1 1 1 c 3
c 2
+ 2+ 2
∆x ∆y ∆z
1
2D: ∆ t ≤
1 1
c + 2
∆x 2 ∆y
1D: ∆ t ≤
∆
Physically, this condition means that the time
c step should be smaller than the time for the
wave to propagate from one cell to the
neighbor one
17. III. Fundamentals of the FDTD method
Dispersion relation
2
2 2 2 2 ω
In free space (ideal) k = kx + ky + kz =
c
In FDTD computation
(numerical)
~ 2
1 ~
k y ∆y
2
1 ~ 2 2
1 k x ∆x k z ∆z 1 ω ∆t
sin + sin + sin = sin
∆x 2 ∆y 2 ∆z 2 c∆ t 2
( ) ~ y ∆y 1
2
ω ~ x ∆x 1 ~ z ∆z
2 2
2 1 k + sin
k + sin k
v pnum = ~ = ~ Arc sin c∆ t u u = sin
∆x 2 ∆y 2 ∆z 2
k k∆ t
The numerical medium is dispersive : the propagation of the wave varies with
frequency and angle
19. Limitations of FDTD method
1-Grid spacing should be ~λ/10.
2-According to Courant’s stability condition,
time step Δt becomes small when FDTDgrid
spacing becomes small.
3-In 3-D simulation, simulation time scales
like N^4, and required memory size scales
like N^3.
4-Application is restricted to relatively small
size.
20. Space Domain Discretization
• Heat Conduction Equation
∂T ( x, y, t ) ∂ 2T ( x, y, t ) ∂ 2T ( x, y, t ) g ( x, y, t ) κ
=α +α + α=
∂t ∂x 2
∂y 2
ρc p ρcc
• Central-Finite-Difference Approximation
∂ 2T Ti +1, j − 2Ti ,nj + Ti −1, j
n n
n
= + O(∆x) 2
∂2x
i, j
( ∆x ) 2
Ti +1, j − 2Ti ,nj + Ti −1, j
n n
δ x2T n
≈ =
( ∆x ) 2 ( ∆x ) 2
21 march 2012 20
21. Finite-Difference Formulation of the
Heat Conduction on a Chip
(0,J)
Ti,nj+ 1
…
∆y
(0,j)
Tin1,j
-
Ti,nj Tin 1,j
+ • Space Domain
Ti,nj− 1 • Time Domain
…
∆x
X
(0,0) … (i,0) … (I,0)
21 march 2012 21
22. Time domain discretization
• Heat Conduction Equation
n +1
T −T δ x2T ? δ y T ?
n 2
1
=α + 2
+ g
∆t (∆x) (∆y ) ρc p
2
δ x2T n = Ti −1, j − 2Ti ,nj + Ti +1, j
n n
2 n
δ y T = Ti , j −1 − 2Ti , j + Ti , j +1
n n n
– Simple Explicit Method
– Simple Implicit Method
– Crank-Nicolson Method
21 march 2012 22
23. Can we check if a numerical
scheme is stable without
computation?
Von Neumann stability John von Neumann
• analysis
Analyze if (or for which conditions) a 1903-1957
numerical scheme is stable or unstable.
• Makes a local analysis, coefficients of PDE are
assumed to vary slowly (our example:
constant).
• How will unavoidable errors (say rounding
errors)
evolve in time? 23
24. Von Neumann stability
analysis
Ansatz:
Wave number k and amplification factor:
A numerical scheme is unstable if:
24
25. Simple Explicit Method
n +1
T −T δ x2T n δ y T n
n 2
1
=α + 2
+ g
∆t (∆x) (∆y ) ρc p
2
δ x2T n = Ti −1, j − 2Ti ,nj + Ti +1, j
n n
2 n
δ y T = Ti , j −1 − 2Ti , j + Ti , j +1
n n n
Accuracy: [ ( ∆t ) , ( ∆x ) , ( ∆y ) ]
2 2
•
• Stability Constraint: 1 1 1
γ = α∆t + ≤
2
( ∆x ) 2 ( ∆y ) 2
• No matrix inversion but time steps are limited
by space discretization
21 march 2012 25
26. Simple Implicit Method
n +1
T −T δ x2T n +1 δ y T n +1
n 2
1
=α + 2
+ g
∆t (∆x)
2
(∆y ) ρc p
δ x2T n +1 = Ti −1,1j − 2Ti ,nj+1 + Ti +1,1j
n+ n+
2 n +1
δ y T = Ti , j −1 − 2Ti , j + Ti , j +1
n +1 n +1 n +1
Accuracy: [ ( ∆t ) , ( ∆x ) , ( ∆y ) ]
2 2
Unconditionally Stable
No limits on time step but involves with large
scale matrix inversion
21 march 2012 26
27. Crank-Nicolson Method
n +1
T −T δ x2T n +1 + δ x2T n δ y T n +1 + δ y T n
n 2 2
1
=α + + g
∆t 2(∆x) 2(∆y ) ρc p
2 2
δ x2T n = Ti −1, j − 2Ti ,nj + Ti +1, j
n n
δ x2T n +1 = Ti −1,1j − 2Ti ,nj+1 + Ti +1,1j
n+ n+
2 n 2 n +1
δ y T = Ti , j −1 − 2Ti , j + Ti , j +1 δ y T = Ti , j −1 − 2Ti , j + Ti , j +1
n n n n +1 n +1 n +1
Accuracy: [ ( ∆t ) , ( ∆x ) , ( ∆y ) ]
2 2 2
Unconditionally stable
No limits on time step but involves
with large scale matrix inversion
21 march 2012 27
29. Alternating Direction Implicit Method
Solves higher dimension
problem by successive Lower
dimension methods
Accuracy: [ ( ∆t ) , ( ∆x ) , ( ∆y ) ]
2 2 2
Unconditionally stable
No limits on time step and no
large scale matrix inversion
21 march 2012 29
31. Peaceman-Rachford
Algorithm
rx 2 ry 2 n +1 rx 2 ry 2 n ∆t
(1 − δ x )(1 − δ y )T = (1 + δ x )(1 + δ y )T + g
2 2 2 2 ρc p
• Step I
rx 2 n + 1 ry 2 n ∆t
(1 − δ x )T 2
= (1 + δ y )T + g
2 2 2 ρc p
• Step II
ry rx 2 n + 1 ∆t
(1 − δ y )T = (1 + δ x )T
2 n +1 2
+ g
2 2 2 ρc p
21 march 2012 31
32. Douglas-Gunn Algorithm
rxδ ryδ y2 ∆t
(T ) (T )
2
T n +1 − T n = x n +1
+T n + n +1
+T n + g
2 2 ρc p
• Step I
n+
1
rxδ x2 n + 1 ∆t
T 2
−T =
n
(T 2
+ T ) + ryδ y T +
n 2 n
g
2 ρc p
• Step II
rxδ x2 n + 1 ryδ y n +1 ∆t
2
n +1
T −T =n
2
(T 2
+T ) +
n
2
T +T +n
ρc p
g ( )
21 march 2012 32
33. Illustration for ADI
Step I Step II
X-direction implicit Y-direction implicit
n n
Ti ,nj++11
n+ 1 n+ 1 n+ 1
T 2
i −1, j Ti, j
2
T 2
i +1, j
Ti ,nj+1
…
…
Ti ,nj+−11
2 2
j=1 j=1
i=1 2 … m 1 2 … m
21 march 2012 33
34. Analysis of ADI Method
X-direction implicit Tridiagonal Matrix
n * *
* * *
* * *
n+ 1 n+ 1 n+ 1
T 2
i −1, j T
i, j
2
T 2
i +1, j * * *
…
* * m × m
2xnxm = 2nm =2N
2
2 steps n matrices tridaigonal matrix
j=1
i=1 2 … m Time complexity: O(N)
21 march 2012 34
35. ADVANTAGE over conditionally stable
Reduce simulation time
Good accuracy
Size of geometrical feature may be
typical of wavelengh
Good geometrical flexibility to allow with
corner or high curvature than fdtd.
36. Include examples of unconditionally stable fdtd and prove the advantages
Advantages of the FDTD method over other methods
• It is conceptually simple.
• The algorithm does not require the formulation of integral equation, and relatively complex
scatters can be treated without inversion of large matrices.
• It is simple to implement for complicated, inhomogeneous conducting or dielectric structures
because constitutive parameters can be assigned to each lattice point.
• Its computer memory requirement is not prohibitive for many complex structures of interest.
• The algorithm make use of the memory in a simple sequential order.
• It is much easier to obtain frequency domain data from time domain results than the converse.
Thus, it is more convenient to obtain frequency domain results via time domain when many
frequencies are involved.
37. Disadvantages
• Its implementation necessitates modeling object as well as its surroundings. Thus, the
required program execution time may be excessive.
• Its accuracy is at least one order of magnitude worse than that of the method of
moments, for example.
• Since the computational meshes are rectangular in shape, they do not conform the
scatterers with curved surfaces, as is the case of the cylindrical or spherical boundary.
Its computer memory requirement is not prohibitive for many complex structures of
interest.
• As in all finite difference algorithms, the field quantities are only known at grid nodes.
38. Applications of FDTD method
AElectromagnetic scattering & antenna
design
d EMC/EMI design
ESimulation of wave propagation problem
SSolving partial defferential equation
SWaveguide analysis
Stripline & microstrip line analysis…..
etc …
39. References………
1-Electromagnetic simulation using FDTD method
“Dennis M. Sillevan” IEEE press series on rf &
mivcrowave technology “Roger D.Pollard & Richard
Bootan”series
2.Understanding the FDTD method “John
B.Schneider” may 8 ,2011.
3. 3 D -ADI -Mehod-unconditionaly stable time
domain algorithom for solving maxwell equations
“IEEE Transaction on microwave theory &
techniques vol-48,No,10 october 2010. “Takefumi
IEEE.
40. 4.High order split step unconditionally stable
FDTD method &numerical analysis. “IEEE
Transactions on antinna & propagation,vol 59
no.9,sept2011” Yong-Dan Kong, & Qing xin chu
;senior member,IEEE
5.Genaral Finite DifferenceSchemes for Heat
equations “Indian J. Pure Apple.math
10(2);209-222,Febuary 1979.”by P.S Jain &D.N
Holla department of methemetics.
IITB 400076,
Editor's Notes
Analitytial solution of partial differential equations are complex so we use some methods that give the aproximate are exact solutions. In elecromagnetics maxwells equtions can solve by these methods few method are use to solve defferential & few use to solve integeral equtions….
Mom & Fmm used to solve integral equations and other are use for deffential equations.
FDTD &TML use for time domain and other are use in frequancy domain.
From the expresion we obtained forward backward & central derivative that is use to replace the derivative…by aproximate .
Central defference have high accuracy
When angle is 0 and 90 the dispersion error is maximum and 45 dispersion error is minimum inconditionally stable FDTD WHEN time step increases numerical dispersion error increase but solution is stable.
Let’s see this heat conduction equation. It is a second-order parabolic partial differential equation. For space domain discretization, we use central-finite-deference approximation to represent the second order partial derivative term in order to have a second order accuracy. Next, we replace partial derivative terms by the difference term.
For a given chip, there are two steps to establish the finite-difference method. First step is to discretize the continuous space domain. The second step is to discretize the time domain. During the following discussions of discretization, we will concern the accuracy and stability issues.
So, the concerns are coming from what time step will be used to update this term? N or n+1? There are three choices of time updating: simple explicit method, simple implicit method, and Crank-Nicolson method.
Von numann analysis we derive the expression for stability factor and found in case of explicit stablity factor may be greater than 1 and implicit & cranknicolsion steping stability factor is always less than 1 for for any value of time and space step so implicit and cranknicolsion methods are always stable And explicit steping conditionally stable by CFL condition.
For the simple explicit method, we apply the explicit update on the right-hand side of the equation. This method has second order accuracy on space and first order accuracy on time. However, this method need to satisfy the stability constraint in order to avoid fluctuation.
For the simple implicit method, we apply the implicit update on the right-hand side of the equation. This method has second second-order accuracy on space and first order accuracy on time. But this method is unconditionally stable.
For the Crank-Nicolson method, we take the average of simple explicit and implicit on the right hand side of the equation. This method not only has second order accuracy on space but also on time. Fortunately, this method also sustains unconditional stability.
For a two-dimensional mesh with total number of nodes N = mn, it requires a matrix with size NxN. To solve the equations Ax = b by LU decomposition or Cholesky decomposition, the runtime and memory requirement are superlinear with sparse matrix techniques. Therefore, we will face the difficulty of computational intense.
The ADI (Alternating Direction Implicit) method is a process to reduce the two-dimensional or three-dimensional problems to a succession of two or three one-dimensional problems. This algorithm separates the time step from n to n+1 into two sub time steps: from n to n +1/2 and from n+1/2 to n+1 .During Step I, it applies the implicit update in the x-direction and the explicit update in the y-direction. During Step II, it applies the explicit update in the x-direction and the implicit update in the y-direction. We have two different approaches to ADI method: Peaceman-Rachford and Douglas-Gunn Algorithm.
The ADI (Alternating Direction Implicit) method is a process to reduce the two-dimensional or three-dimensional problems to a succession of two or three one-dimensional problems. This algorithm separates the time step from n to n+1 into two sub time steps: from n to n +1/2 and from n+1/2 to n+1 .During Step I, it applies the implicit update in the x-direction and the explicit update in the y-direction. During Step II, it applies the explicit update in the x-direction and the implicit update in the y-direction. We have two different approaches to ADI method: Peaceman-Rachford and Douglas-Gunn Algorithm.
Peaceman-Rachford Algorithm. After rearranging the heat conduction equation, we have the form like this. For step I, we take the implicit term of x and explicit term of y, as shown in the figure with green color. For step II, we take the implicit term of y and explicit term of x, as shown in the figure with yellow color. This algorithm has second-order accuracy both in space and time domain.
For Douglas-Gunn algorithm, the other scheme was used. The heat conduction can be rearranged like this. For step I, we apply the implicit update with x, and keep y direction with explicit update. During step II, we apply the explicit update in x direction, but this term is from step I. Also we apply the implicit update with y. This algorithm has a second accuracy in both space and time domains.
This is the illustration of ADI method. In step I, for every j , there are m equations for the corresponding ( i,j ) points. Since each point ( i,j ) is related to two points ( i-1,j ) and ( i+1,j ) , the coefficient matrix for each row is in tridiagonal form which can be solved with time complex O (m) . There is a similar procedure for step II.
This is the analysis of ADI method. For every j, we has a tridiagonal matrix like this. So totally we need 2 steps, each step need to solve n matrices, and each matrix needs time m. So the total time complex is O(N).