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Hyperplane Constrained Continuation Methods for Coupled Nonlinear Schr¨ odinger Equations Weichung Wang Department of Mathematics National Taiwan University Workshop on Bose-Einstein Condensation: Modeling, Analysis, Computation and Applications Institute of Mathematical Sciences, National University of Singapore November 15, 2007 W. Wang (NTU) HCCM for NLSE Workshop on BEC 1 / 77
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Page 1: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Hyperplane Constrained Continuation Methods

for Coupled Nonlinear Schrodinger Equations

Weichung Wang

Department of Mathematics

National Taiwan University

Workshop on Bose-Einstein Condensation: Modeling, Analysis, Computation and Applications

Institute of Mathematical Sciences, National University of Singapore

November 15, 2007

W. Wang (NTU) HCCM for NLSE Workshop on BEC 1 / 77

Page 2: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Cooperators

Yuen-Cheng Kuo

Department of Applied Mathematics, National University of Kaohsiung

Wen-Wei Lin

Department of Mathematics, National Tsing-Hua University

Shih-Feng Shieh

Department of Mathematics, National Taiwan Normal University

W. Wang (NTU) HCCM for NLSE Workshop on BEC 2 / 77

Page 3: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 3 / 77

Page 4: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Outline

System of m-coupled nonlinear Schrodinger equations

Nonlinear optics for Kerr-like photorefractive media

Main numerical issue: ε-solutions

A hyperplane-constrained continuation method

Theoretical analysis and numerical experiments

Nonlinear Schrodinger equation

Single component rotating Bose-Einstein condensate

Main numerical issue: transformation invariant solutions

Another hyperplane-constrained continuation method

Bistability of solution curves

W. Wang (NTU) HCCM for NLSE Workshop on BEC 4 / 77

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The m-coupled Nonlinear Schrodinger equations

The time-independent m-coupled NLSE:

∆φj − λjφj + µj|φj|2φj +∑

i6=j βij |φi|2φj = 0,

φj > 0 in Rn, j = 1, . . . , m,

φj(x)→ 0, as |x| → ∞,

(1)

where λj , µj > 0, n ≤ 3, and βij = βji for i 6= j are coupling

constants.

2-component example:

∆φ1 − λ1φ1 + µ1|φ1|2φ1 + β21|φ2|2φ1 = 0

∆φ2 − λ2φ2 + µ2|φ2|2φ2 + β12|φ1|2φ2 = 0

W. Wang (NTU) HCCM for NLSE Workshop on BEC 5 / 77

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Physical Model

∆φj − λjφj + µj|φj|2φj +

i6=j

βij|φi|2φj = 0

Nonlinear optics (Kerr-like photorefractive media)

φj: the j-th component of the beam

λj: chemical potential

µj: self-focusing in the j-th component of the beam

βij: interaction between the beams

βij > 0, the interaction between φi and φj is attractive

βij < 0, the interaction between φi and φj is repulsive

W. Wang (NTU) HCCM for NLSE Workshop on BEC 6 / 77

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Ground State Solution for m = 1

The weak solution of the decoupled NLSE can be obtained by solving

infφ ≥ 0

φ ∈ H1(Rn)

∫Rn |∇φ|2 + λ

∫Rn φ2

(∫Rn φ4

)1/2(2)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 7 / 77

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Ground State Solution for m = 1

or equivalently

infφ∈N1

E(φ) (3a)

where the energy functional on the Nehari manifold are

E(φ) =1

2

Rn

|∇φ|2 +λ

2

Rn

φ2 −µ

4

Rn

φ4 (3b)

and

N1 =

φ ∈ H1(Rn)| φ ≥ 0, φ ≡/ 0,

Rn

|∇φ|2 + λ

Rn

φ2 = µ

Rn

φ4

, (3c)

respectively.

If φ satisfies (3) then φ is called a ground state solution.W. Wang (NTU) HCCM for NLSE Workshop on BEC 8 / 77

Page 9: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Ground State Solution for m ≥ 2

Consider the minimization problem

infφ∈Nm

E(φ), (4a)

where

E(φ) =m∑

j=1

(1

2

Rn

|∇φj |2 +

λj

2

Rn

φ2j −

µj

4

Rn

φ4j

)−

1

4

m∑

i6=j

βij

Rn

φ2i φ2

j , (4b)

and

Nm =φ = (φ1, φ2, . . . , φm) ∈ (H1(Rn))m| φj ≥ 0, φj ≡/ 0,

Rn

|∇φj |2 + λj

Rn

φ2j = µj

Rn

φ4j +

i6=j

βij

Rn

φ2i φ2

j , j = 1, . . . , m

(4c)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 9 / 77

Page 10: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Ground State Solution for m ≥ 2

Definition of the ground state solution:

If φ = (φ1, . . . , φm) satisfies the following properties

1 φj > 0 for all j and φ satisfies NLSE.

2 E(φ) ≤ E(ψ) for any other solution ψ of NLSE.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 10 / 77

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Discrete m-coupled Nonlinear Schrodinger Eqs

We consider the m-coupled DNLSE:

Auj − λjuj + µju

©2j uj +

∑mi6=j βiju

©2i uj = 0,

uj > 0 for j = 1, . . . , m,(5)

where λj > 0, µj > 0 and βij = βji, are coupling constants.

A ∈ RN×N corresponding to the operator ∆, uj ∈ R

N is

defined by the a approximation of φj(x) for j = 1, . . . ,m.

For u = (u1, . . . , uN )⊤, v = (v1, . . . , vN )⊤ ∈ RN ,

u v = (u1v1, . . . , uNvN )⊤ is the Hadamard product of u & v.

u©r = u · · · u denotes the r-time Hadamard product of u.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 11 / 77

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The Discrete Minimization Problem for m = 1

One-component DNLSEAu− λu+ µu©2 u = 0,

u > 0,(6)

where λ, µ > 0 and A is diagonal dominant with positive

off-diagonal entries.

The minimization problem:

infu≥0

E(u), (7a)

where

E(u) =−u⊤Au+ λu⊤u

(u©2 ⊤u©2 )1/2. (7b)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 12 / 77

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The Discrete Minimization Problem for m ≥ 2

The corresponding discrete minimization problem:

infx∈Nm

E(x). (8a)

where

E(x) =m∑

j=1

(−

1

2u⊤

j Auj +λj

2u⊤

j uj −µj

4u©2 ⊤j u

©2j

)−

1

4

m∑

i6=j,i=1

βiju©2 ⊤i u

©2j , (8b)

and

Nm =(u⊤

1 , . . . , u⊤m)⊤ ∈ R

Nm| uj ≥ 0, x ≡/ 0 and

−u⊤j Auj + λju⊤

j uj = µju©2 ⊤j u

©2j +

m∑

i6=j,i=1

βiju©2 ⊤i u

©2j , j = 1, . . . , m

.

(8c)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 13 / 77

Page 14: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 14 / 77

Page 15: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Iterative Method for One-Component DNLSE I

Recall that the one-component DNLSE is

Au− λu+ µu©2 u = 0,

u > 0,(9)

Some notations and facts

Let

A = λI −A. (10)

Since λ > 0, then A is an irreducible M-matrix and A−1

is

positive definite matrix with positive entries.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 15 / 77

Page 16: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Iterative Method for One-Component DNLSE II

Define the set

M =u ∈ R

N | ‖u‖4 = 1,u ≥ 0

, (11)

where ‖u‖4 = (u©2 ⊤u©2 )1/4.

If u ∈M then A−1u = (λI −A)−1u > 0.

Define a mapping f :M→M by

f(u) =A

−1u©3

‖A−1u©3 ‖4

. (12)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 16 / 77

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The Fixed Point Iterations

Algorithm 2.1 Fixed Point Iteration.

(i) Given A ∈ RN×N and u0 > 0 with ‖u0‖4 = 1, let i = 0;

(ii) Solve the linear system

Aui+1 = u©3i .

Compute ui+1 = ui+1/‖ui+1‖4.

(iii) If converges, then u∗ ← ui+1, stop; else i← i + 1, go to (ii).

W. Wang (NTU) HCCM for NLSE Workshop on BEC 17 / 77

Page 18: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Convergence Analysis of the Fixed Point Iterations

Existence of fixed point and the resulting solution of the

one-component DNLSE

Globally convergent subsequence

Globally convergent sequence derived from a mild assumption

W. Wang (NTU) HCCM for NLSE Workshop on BEC 18 / 77

Page 19: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Fixed Point and the One-Comp DNLSE Solution

Theorem

The function f :M→M given in (12) has a fixed point u∗ in

M.

Furthermore, the point

u(µ) =1

µ1/2‖A

−1u∗©3 ‖−1/2

4 u∗ ∈ N1, (13)

is the solution of Au− λu+ µu©2 u = 0.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 19 / 77

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Globally Convergent Subsequence I

Theorem

(i) If u ∈M and v = f (u), then E(v) ≤ E(u), where E(·) is

defined as E(u) = −u⊤Au+λu⊤u

(u©2 ⊤u©2 )1/2 . The equality holds if and only if u

is a fixed point of f :M→M, i.e., f(u) = u.

(ii) For a sequence ui∞i=0 generated by the Fixed Point Algorithm,

there exists a subsequence uni∞i=0 such that

limi→∞

uni= u∗. (14)

Furthermore, u∗ is a fixed point of the function f (u) = A−1

u©3

‖A−1

u©3 ‖4.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 20 / 77

Page 21: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Globally Convergent Subsequence II

Corollary

If the minimization problem (7) has a unique global minimizer

u∗ ∈M, then there exist a neighborhood Ru∗ of u∗ such that the

fixed point iteration converges to u∗ for any initial vector u0 ∈ Ru∗ .

infu≥0

E(u), (15a)

where

E(u) =−u⊤Au+ λu⊤u

(u©2 ⊤u©2 )1/2. (15b)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 21 / 77

Page 22: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Globally Convergent Sequence

Theorem

If u∗ given in (14) is strictly local minimum of (7), then the

sequence ui converges to u∗ ∈M.

RemarkNumerical experience shows that for any arbitrary initial positive

vector u0 with ‖u0‖4 = 1, the fixed point iteration converges to the

global minimizer of (7).

W. Wang (NTU) HCCM for NLSE Workshop on BEC 22 / 77

Page 23: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 23 / 77

Page 24: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Continuation Method for the DNLSE

Recall that the m-coupled DNLSE isAuj − λjuj + µju

©2j uj +

∑mi6=j βiju

©2i uj = 0,

uj > 0 for j = 1, . . . , m,

where λj > 0, µj > 0 and βij = βji, i 6= j.

Let βij = βδij (β: continuation parameter) and rewrite as

G(x, β) = (G1, . . . ,Gm)(x, β) = 0, (16)

where x = (u⊤1 , . . . ,u⊤

m)⊤ ∈ RNm, G : RNm × R→ RNm and

Gj(x, β) = Auj − λjuj + µju©2j uj + β

m∑

i6=j

δiju©2i uj , j = 1, . . . , m.

(17)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 24 / 77

Page 25: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Standard Continuation Method for the DNLSE

The solution curve C of (16):

C =y(s) = (x(s)⊤, β(s))⊤| G(y(s)) = 0, s ∈ R

. (18)

Assume s is a parametrization via arc length is available on C.

By differentiating with s we have

DG(y(s))y(s) ≡ [Gx,Gβ]y(s) = 0,

where y(s) = (x(s)⊤, β(s))⊤ is a tangent vector to C at y(s).

yi

yi

Cyi+1

yi+1,1

x

β

W. Wang (NTU) HCCM for NLSE Workshop on BEC 25 / 77

Page 26: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Solution Set of DNLSE for n = 1

We consider 2-coupled NLSE with n = 1

φ

′′

1 − λ1φ1 + µ1φ31 + β12φ2

2φ1 = 0,

φ′′

2 − λ2φ2 + µ2φ32 + β12φ2

1φ2 = 0.

By differentiating with x we have

[L1 2β12φ1φ2

2β12φ1φ2 L2

] [φ

1

φ′

2

]= 0, (19)

where L1 = d2

dx2 − λ1 + 3µ1φ21 + β12φ

22 and

L2 = d2

dx2 − λ2 + 3µ2φ22 + β12φ

21. From (19) we see that the

matrix[

L1 2β12φ1φ2

2β12φ1φ2 L2

]is singular. It easily seen that the

solution set of (1) is one dimensional.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 26 / 77

Page 27: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

1-D

W. Wang (NTU) HCCM for NLSE Workshop on BEC 27 / 77

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Numerical Difficulty

yi

yi

C

yi+1

yi+1,1

x

β

W. Wang (NTU) HCCM for NLSE Workshop on BEC 28 / 77

Page 29: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Numerical Difficulty

yi

ax

yi

C

yi+1

yi+1,1

x

β

W. Wang (NTU) HCCM for NLSE Workshop on BEC 29 / 77

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Solution Set of DNLSE for n = 2

We consider the m-coupled DNLSE with domain

[−d, d]× [−d, d]. The numerical null space of Gx(x(s), β(s)) is

spanned by

K0 = spanax,ay, (20)

where ax = Dxx(s), ay = Dyx(s) and

Dx = diagDx, . . . , Dx,Dy = diagDy, . . . , Dy ∈ RNm×Nm,

Dx, Dy ∈ RN×N are discretization matrices of the differential

operators ∂∂x

, ∂∂y

, resp..

Let xr be translation by x-axis or y-axis from x with

‖G(xr, β)‖ < ε. Then these solutions are called “ε-solutions”.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 30 / 77

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A Comparison

NLSE

Unbounded domain

Solutions are translation invariant

DNLSE

Computational bounded domain

No translation invariant solutions

The ε-solutions (with small residual) exist

W. Wang (NTU) HCCM for NLSE Workshop on BEC 31 / 77

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Numerical Challenges Due to the ε-solutions

1. Cannot compute a unique prediction direction

2. Newton’s correction becomes inaccurate and inefficient

(the Jacobian matrix Gx is nearly singular)

3. Detections of bifurcation points are difficult

4. Cannot follow the desired solution curve efficiently

(Computed solutions may be random or trapped in the

multi-dimensional ε-solution set)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 32 / 77

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Main Idea

yi

yi

C

yi+1

yi+1,1

x

β

W. Wang (NTU) HCCM for NLSE Workshop on BEC 33 / 77

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Main Idea

ax

C

yi+1

yi+1,1

x

β

W. Wang (NTU) HCCM for NLSE Workshop on BEC 34 / 77

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Solution Curve

G(x, β) = 0,

a⊤xx = 0,

a⊤y x = 0,

x⊤i x+ βiβ = 0.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 35 / 77

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Prediction

Let yi = (x⊤i , pi)

⊤ ∈ RM+1 be an approx. point for C. Supposeyi+1,1 = yi + hiyi is used to predict a new yi+1,1, where yi is thetangent vector by solving

Gx Gβ

a⊤x 0

a⊤y 0

c⊤i ci

yi =

0

0

0

1

, (21)

with some constant vector [c⊤i , ci]⊤ ∈ RM+1.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 36 / 77

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Correction

G(y) = 0

(a⊤x , 0)y = a⊤

x xi+1,1

(a⊤y , 0)y = a⊤

y xi+1,1

y⊤i y = y⊤

i yi+1,1

Newton’s method is chosen as a corrector,

Gx(yi+1,l) Gβ(yi+1,l)

a⊤x 0

a⊤y 0

x⊤i βi

δl =

−G(yi+1,l)

ρx,l

ρy,l

ρl

, l = 1, 2, . . . , (22)

with ρl = y⊤i (yi+1,l − yi+1,1), ρx,l = a⊤

x (xi+1,l − xi+1,1) and

ρy,l = a⊤y (xi+1,l − xi+1,1), is solved by yi+1,l+1 = yi+1,l + δl. If

yi+1,l converges until l = l∞, we accept yi+1 = yi+1,l∞ as an

approx to C.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 37 / 77

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Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 38 / 77

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Some 3-component NLSE Results I

Let

Σ =

1 |βδ12| |βδ13|

|βδ12| 1 |βδ23|

|βδ13| |βδ23| 1

and βij = δijβ, Lin and Wei (2005) show that

Case 1 (all interactions are repulsive). If δ12 < 0, δ13 < 0 and

δ23 < 0, then the ground state solution does not exist.

Case 2 (all interactions are attractive). If δ12 > 0, δ13 > 0, δ23 > 0

and Σ is positive definite, then the ground state solution

exists.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 39 / 77

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Some 3-component NLSE Results II

Case 3 (two repulsive and one attractive interactions). If δ12 < 0,

δ13 < 0, δ23 > 0 and Σ is positive definite, then the

ground state solution does not exist.

Case 4 (two attractive and one repulsive interactions). If δ12 > 0,

δ13 > 0, δ23 < 0, β ≪ 1 and the ground state solution

exists, then it must be non-radially symmetric.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 40 / 77

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The 3-component DNLSE Setting I

We assume m = 3, λ1 = λ2 = λ3 = µ1 = µ2 = µ3 = 1.

The 3-coupled DNLSE G(x, β, δ) = 0 in (11), where

δ = (δ12, δ13, δ23), can be rewritten by

Au1 − u1 + u©31 + βδ12u

©22 u1 + βδ13u

©23 u1 = 0, (1a)

Au2 − u2 + u©32 + βδ12u

©21 u2 + βδ23u

©23 u2 = 0, (1b)

Au3 − u3 + u©33 + βδ13u

©21 u3 + βδ23u

©22 u3 = 0. (1c)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 41 / 77

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The 3-component DNLSE Setting

Case 1 and 2 are straightforward.

Case 3 and 4 can be combined by letting

δ12 = δ13 = −1, δ23 = 1 and β ∈ R

.

1 23

The resulting DNLSE G(x, β) = 0 in (1) can be rewritten as

Au1 − u1 + u©31 − βu©2

2 u1 − βu©23 u1 = 0, (2a)

Au2 − u2 + u©32 − βu©2

1 u2 + βu©23 u2 = 0, (2b)

Au3 − u3 + u©33 − βu©2

1 u3 + βu©22 u3 = 0, (2c)

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Primal Stalk Solution I

Theorem

The primal stalk of 3-coupled DNLSE (2) can be described by

u1 =

√1+3β

1+β−2β2u∗,

u2 = u3 =√

1+β1+β−2β2u∗,

−1

3≤ β < 1 (3)

where u∗ is a solution of Au− u+ u©3 = 0.

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Primal Stalk Solution II

RemarkIf β → 1− then

u2 = u3 =

√1 + β

1 + 3βu1 →∞.

If β → −13

+then

u1 → 0, u2 = u3 →

√3

2u∗.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 44 / 77

Page 45: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Bifurcation Analysis

The solution curve C of (2):

C = y(s) = (x⊤(s), β(s))⊤|G(y(s)) = 0 is given in (2) (4)

Theorem

The primal stalk of C in (4) given by (3), undergoes at least N − p

bifurcation points at 0 < β = β∗q < 1, q = 1, . . . , N − p, where p is

the number of nonnegative eigenvalues of A− I + 3[[u©2∗ ]].

W. Wang (NTU) HCCM for NLSE Workshop on BEC 45 / 77

Page 46: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Remark

In [2] show that the number of nonnegative eigenvalues of

∆φ − φ + 3ω2

∗φ = λφ,

φ ∈ H2(Rn),

is n + 1, where ω∗ is the unique solution of

∆φ − φ + φ3 = 0,

φ > 0 in Rn,

ω(x) → 0 as |x| → ∞.

In square domain (n = 2), it seem that the number of nonnegative

eigenvalues of A− I + 3[[u©2∗ ]] is 3. In numerical test, the number of

nonnegative eigenvalues of A− I + 3[[u©2∗ ]] (the eigenvalue bigger

than −10−3) is 3.

[2]C.-S. Lin and W.-M. Ni, On the diffusion coefficient of a semilinear Neumann problem, In

Lecture Notes in Mathematics, 1340(1988) 160-174.W. Wang (NTU) HCCM for NLSE Workshop on BEC 46 / 77

Page 47: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 47 / 77

Page 48: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Implementation

Fortran 95 codes

Hyperplane-constrained continuation method

Interfaces with the packages

Eigenvalue solver (ARPACK)

Linear system solver (GMRES by CERFACS)

Linux based workstation

Automatic bifurcation points detection

Automatic path following with user defined path following policy

Restarting from intermediate solutions

Batch runs

W. Wang (NTU) HCCM for NLSE Workshop on BEC 48 / 77

Page 49: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Implementation

User defined PDEs

User defined program parameters

User defined initial solution

On-going work

Structure aware and efficient eigenvalue solver

Structure aware and efficient linear system solver

Parallel version (distributed memory or multi-cores)

Object version

W. Wang (NTU) HCCM for NLSE Workshop on BEC 49 / 77

Page 50: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Simulation 1

Example

m = 3; Ω = [−5, 5]× [−5, 5]; λj = µj = 1,

The mesh size h of the grid domain Ωh is 0.2

(2 repulsive and 1 attractive) δ12 = δ13 = −1, δ23 = 1.

The solution curve

C+ =(x⊤, β)⊤| G(x, β) = 0 for β ∈ R+

. (1)

1 23

W. Wang (NTU) HCCM for NLSE Workshop on BEC 50 / 77

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0.2370.253

0.3850.387 1

R3N

β

0 0.2 0.4 0.6 0.8 115

20

25

30

35

40

E(x

)

β

Figure 1. Bifurcation curves and energy curves of DNLSE.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 51 / 77

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Simulation 2

Example

m = 3; Ω = [−5, 5]× [−5, 5]; λj = µj = 1,

The mesh size h of the grid domain Ωh is 0.2

(2 attractive and 1 repulsive) δ12 = δ13 = 1, δ23 = −1.

The solution curve

C− =(x⊤, β)⊤| G(x, β) = 0 for β ∈ R−

. (1)

1 23

W. Wang (NTU) HCCM for NLSE Workshop on BEC 52 / 77

Page 53: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

0.333

R3N

β

0 0.1 0.2 0.3 0.415.5

16

16.5

17

17.5

E(x

)

β

Figure 2. Bifurcation curves and energy curves of DNLSE.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 53 / 77

Page 54: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Observations

The theoretical applicable range of β is −13≤ β < 1.

Computed β’s keep approaching, but never reaching 1.

A turning point is found at β = −0.3333.

In Simulation 1, computed energy keeps raising as β increases to

1. This is consistent to the result that if β → 1− then

u2 = u3 =

√1 + β

1 + 3βu1 →∞.

Computed solution profiles in Simulation 2 is in line with the

result that if β → −13

+then

u1 → 0, u2 = u3 →

√3

2u∗.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 54 / 77

Page 55: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Simulation 3

Example

m = 3; Ω = [−5, 5]× [−5, 5]; λj = µj = 1,

The mesh size h of the grid domain Ωh is 0.2

To search for the non-radially solution whose energy is less than

the radially symmetric solutions for small β, where

δ12 = δ13 = 1, δ23 = −1 (Simulation 2).

Only radially symmetric solutions are found in Simulation 2.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 55 / 77

Page 56: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Procedure

Step 1. We trace the solution curve

C1 =(x⊤, β)⊤| G(x, β) = 0 with δ12 = δ13 = δ23 = 1, for 0 ≤ β ≤ 0.2

. (2)

Step 2. Fix β = 0.2, then trace the solution curve

C2 =(x⊤, δ23)⊤|G(x, δ23)=0 with β=0.2, δ12 =δ13 = 1, for − 1≤δ23 ≤ 1

. (3)

Step 3. Fix δ23 = −1, then trace the solution curve

C3 =

(x⊤, β)⊤| G(x, β) = 0 with δ12 = δ13 = 1 and δ23 = −1, for β ∈ R

. (4)

W. Wang (NTU) HCCM for NLSE Workshop on BEC 56 / 77

Page 57: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

0 1-1 -0.314

δ23

R3N

-1 -0.5 0 0.5 1

14.5

15

15.5

16

16.5

17

δ23

E(x

)

Figure 3. Bifurcation curves and energy curves of DNLSE.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 57 / 77

Page 58: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

0.969β

R3N

0 0.2 0.4 0.6 0.8 111

12

14

16

18

β

E(x

)

Figure 4. Bifurcation curves and energy curves of DNLSE.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 58 / 77

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0 0.2 0.4 0.6 0.8 111

13

15

17

β

E(x

)

Figure 5. Energy curves of DNLSE.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 59 / 77

Page 60: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Motivation and Observations

Solutions on C1 are all ground state solutions.

Interactions are all attractive(δ12 = δ13 = δ23 = 1). Solutions

tends to gather together.

No bifurcation found.

Initial solution for β = 0 is ground state.

C2 is a “bridge” connecting C1 (three attractive) and C3 (two

attractive one repulsive).

One bifurcation occurs in C2. Primal stalk solutions lead to the

results in Simulation 2. The bifurcation branch leads to lower

energy solutions.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 60 / 77

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Motivation and Observations

We let β decreases to zero in C3 to find the target solutions.

Another type non-radially symmetric solution is found for β

increase to 1 in C3.

The non-radially symmetric solutions are expected to be ground

state, as we start from ground state (β = 0) and follow the

lower energy path whenever bifurcation occurs.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 61 / 77

Page 62: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 62 / 77

Page 63: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

One Component Rotating BEC Model

−1

2∇2φ(x) + V (x)φ(x) + α|φ|2φ(x) + ωι∂θφ(x) = λφ(x), (5)

for x ∈ Ω ⊆ R2 with∫

Ω

|φ(x)|2dx = 1, (6)

Ω is a smooth bounded domain

V (x) ≥ 0 is the magnetic trapping potentials

∂θ = x∂y − y∂x is the z-component of the angular momentum

ω is the angular velocity of the rotating laser beam

λ is the chemical potential

W. Wang (NTU) HCCM for NLSE Workshop on BEC 63 / 77

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Induced Nonlinear Algebraic Eigenvalue Problem

Au+ αuH u©2 + ωιSu = λu, (7)

u⊤u = 1. (8)

A: standard central finite difference discretization of

−12∇2 + V (x)

S: discretization matrix corresponding to ∂θ

u©2 = u u, and denotes the Hadamard product

Dirichlet boundary condition

W. Wang (NTU) HCCM for NLSE Workshop on BEC 64 / 77

Page 65: Hyperplane Constrained Continuation Methods for Coupled ... · 2 Iterative method for one-component DNLSE 3 Stable continuation method for DNLSE 4 Analysis of 3-component DNLSE 5

Corresponding Energy Functional

Energy functional

E(φ) =

Ω

(1

2|∇φ|2 +

1

2Vj|φ|

2 +α

4|φ|4 +

ωι

2φ∗∂θφ

), (9)

where φ∗ denotes the complex conjugate of φ

Finite dimensional case

E(u) =

(1

2uHAu+

α

4u©2 Hu©2

)+

ωι

2uH

Su. (10)

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NAEP rewritten

The new form

Au1 + α([[u©21 ]] + [[u©2

2 ]])u1 − ωSu2 = λu1, (11)

Au2 + α([[u©21 ]] + [[u©2

2 ]])u2 + ωSu1 = λu2, (12)

with

u⊤1 u1 + u⊤

2 u2 = 1, (13)

where u = u1 + ιu2 ∈ CN and u1,u2 ∈ RN

W. Wang (NTU) HCCM for NLSE Workshop on BEC 66 / 77

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The Parameter Dependent Polynomial System

Let ω = ω0 + ν0p (ω0, ν0 are given and p is the continuation

parameter), u = (u⊤1 ,u⊤

2 )⊤ ∈ R2N , and z = (u⊤, λ)⊤ ∈ R2N+1.

G(z, p) = 0, (14)

where G ≡ (G1,G2, g) : R2N+1 × R→ R2N+1 is given by

G1(z, p) = Au1 + α([[u©21 ]] + [[u©2

2 ]])u1 − ωSu2 − λu1, (15a)

G2(z, p) = Au2 + α([[u©21 ]] + [[u©2

2 ]])u2 + ωSu1 − λu2, (15b)

g(z, p) =1

2(u⊤

1 u1 + u⊤2 u2 − 1). (15c)

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Transformation Invariant Solutions

Define u(θ) : [0, 2π]→ R2N by

u(θ) =

[cos θu1 + sin θu2

− sin θu1 + cos θu2

]. (16)

Solution set C is a two dimensional manifold on R2N+2

G(u(θ), λ, p) = 0 for all θ ∈ [0, 2π]

Same energy: E(u(0)) = E(u(θ))

Same shape: |u(0)|2 = |u(θ)|2

W. Wang (NTU) HCCM for NLSE Workshop on BEC 68 / 77

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Hyperplane-Constrained Continuation Method

Consider the quotient solution set

C/θ = y(s) = (z(s)⊤, p(s))⊤| G(y(s)) = 0, s ∈ R. (17)

Compute the tangent vector of u(θ) at θ = 0,

∂u

∂θ(0) = (u⊤

2 ,−u⊤1 )⊤. (18)

Prediction vector yi = (z⊤i , p⊤i )⊤ satisfies DG(y(s))y(s) = 0

and is orthogonal to(

∂u∂θ

(0)⊤, 0)⊤

In correction, add an additional hyperplane constraint, with

normal vector(

∂u∂θ

(0)⊤, 0)⊤

W. Wang (NTU) HCCM for NLSE Workshop on BEC 69 / 77

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Visualization of the Idea

Predict Vector

Tangent vector

Transformation invariant solution

The "pipeline−like" soultion set

Computed solution curve

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An Analysis of Bifurcation

Theorem

Suppose 0 < α <∞ and p = ω in (8). Then the solution curve of

ground states undergoes at least n (= N − dim N (S)) bifurcation

points at finite value ω = ω∗i , i = 1, . . . n. That is, the Jacobian

matrix Gz(z, ω) is singular on Cθ at ω∗i .

W. Wang (NTU) HCCM for NLSE Workshop on BEC 71 / 77

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An Experimental Result

Madison, Chevy, Wohlleben, and Dalibard, PRL (84)5,

pp. 806–809, 2000

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Preliminary Computational Results

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Initial Solutions

Let ω = 0

Solve the linear eigenvalue problem Au = λu for α = 0

Take the ith smallest eigenvalue and the corresponding

eigenfunction as initial of continuation method

Follow the solution curve by increasing α = 0 to α = 100.

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Outline

1 Introduction

2 Iterative method for one-component DNLSE

3 Stable continuation method for DNLSE

4 Analysis of 3-component DNLSE

5 Numerical Experiments

6 Rotating Bose-Einstein Condensates

7 Conclusions

W. Wang (NTU) HCCM for NLSE Workshop on BEC 75 / 77

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Conclusions

m-coupled DNLSE

Nonlinear optics for Kerr-like photorefractive media

A hyperplane-constrained continuation method for ε-solutions

Analysis and numerical experiments for 3-coupled DNLSE

Bifurcation diagrams and non-radially symmetric ground states

Single component DNLSE

Single component rotating Bose-Einstein condensate

A hyperplane-constrained continuation method for

transformation invariant solutions

Bistability of solution curves

W. Wang (NTU) HCCM for NLSE Workshop on BEC 76 / 77

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Thank you.

W. Wang (NTU) HCCM for NLSE Workshop on BEC 77 / 77


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