meals I ng7 .UBRARY MIC Sig-:15. State University This is to certify that the dissertation entitled STUDIES OF NONLINEAR PROBLEMS FOR MAXWELL’S EQUATIONS presented by YING LI has been accepted towards fulfillment of the requirements for the Ph.D degree in Mathematics l‘ \(“" é 6gp Major Professor’ 8 Signature 07/: 4 / 2p 0 I Date MSU is an affinnative-action, equal-opportunity employer ..--—--o-----.—---n-o-a-n-o-n-u---I-u--I--o---l-I--c-I-o_-|-o----u-u-n-u-n-I-o-u-n-u-u—u-n-n-I-n-u-----n-oon—n- l PLACE IN RETURN BOX to remove this checkout from your record. TO AVOID FINES return on or before date due. MAY BE RECALLED with earlier due date if requested. DAIEDUE DAIEDUE DAIEDUE 6/07 p:/CIRC/DateDue.indd-p.1 STUDIES OF NONLINEAR PROBLEMS FOR MAXWELL’S EQUATIONS By Ying Li A DISSERTATION Submitted to Michigan State University in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY Department of Mathematics 2007 ABSTRACT STUDIES OF NONLINEAR PROBLEMS FOR MAXWELL’S EQUATIONS By Ying Li Consider the electromagnetic field scattered by a nonlinear optical medium. Be- cause of inhomogeneity of the medium, the governing equations are Maxwell’s equa- tion with jump coefficients and a source term. By using the Sommerfeld radiation condition, the model scattering problem may be truncated into a bounded domain. In this paper, LP estimates for Maxwell’s equation are established. The solution of Maxwell’s equation is represented by spherical harmonics. LP estimate is for the Maxwell equations with jump coefficients. An application of our LP estimates gives rise to the wellposedness of a linearized model. In part two, an adaptive finite element method is developed for solving Maxwell’s equations in a nonlinear periodic structure. The medium or computational domain is truncated by a perfect matched layer (PML) technique. Error estimates are established. Numerical examples are provided, which illustrate the efficiency of the method. In part three, an inverse scattering problem is formulated for breast cancer de- tection. A recursive linearization algorithm is used to solve the inverse scattering problem. We employed the idea of finite element boundary integral method and added suitable boundary conditions on the surface of the breast and an artificial boundary which encloses the tumor. Finite element method is used for the inte- rior domain containing inhomogeneity. Nystr'o'm method is used for the integral equations and exterior domain. Numerical examples are presented. To my beloved grandma and grandpa. iii ACKNOWLEDGMENTS I would like to convey my gratitude to all those who gave me the possibility to complete this thesis. My deepest thanks go to my supervisor, Professor Gang Bao, who guided me into the field of research, and shepherded me through the bulk of the work. His scientific insight has had a remarkable influence on my entire career. I am very grateful for his enthusiastic support and helpful advice throughout the time it took to compile the work, and his unwavering belief in my ability to successfully complete the task. I am sincerely thankful to Professor Zhengfang Zhou, for his patience, motiva- tion, enthusiasm, and immense knowledge in PDE theories and other aspects in applied mathematics, and for his untiring help during my difficult moments. His detailed and constructive comments were vital to the development of this thesis. Special thanks go to Professor Haijun Wu from Nanjing University of China, for his patient help during the time he stayed in MSU, which led to my better understanding of the theory and algorithm used in this study. Many thanks are also due to Dr. Peijun Li from University of Michigan, who gave me invaluable help including answering my numerous questions. I would like to thank the members of my thesis committee, Professor Chichia Chiu, Professor Tien-Yen Li, Professor Di Liu, and Professor Promislow, for the time they spent on serving on my committee. I wish to express my special thanks to my friend, Xiaoyue Luo, for her friendship, emotional support and helpful discussions. I am forever indebted to my dearest grandparents, who brought me up and were always proud of me, and my Aunt, Huichun Liu, who gave me help whenever I needed. Finally, my heartfelt thanks go to my husband, Gang Tang, for his love, support and inspiring ideas during my PhD study, and my daughter, Mingming, for showering me with her unconditional love through all my moods. iv TABLE OF CONTENTS LIST OF FIGURES LIST OF TABLES Introduction 1 Lp estimate Of Maxwell’s equations in a bounded domain 1.1 Introduction ................................ 1.2 Spherical Harmonics ........................... 1.3 Boundary Estimate ............................ 1.4 Existence and Uniqueness ........................ 2 Numerical Solution of Nonlinear Diffraction Problems 2.1 Introduction ................................ 2.2 Modeling of the Nonlinear Grating Problem .............. 2.3 Variational Formulation ......................... 2.4 PML Formulation ............................. 2.5 Discrete Problem ............................. 2.6 Numerical Examples ........................... 3 Inverse Medium Scattering in Breast Cancer Detection 3.1 Introduction ................................ 3.2 Analysis of the Scattering Map ..................... 3.3 Inverse Medium Scattering ........................ 3.3.1 Born Approximation ....................... 3.3.2 Recursive Linearization ...................... 3.4 Implementation .............................. 3.5 Numerical Experiments .......................... BIBLIOGRAPHY vi vii 13 20 23 23 25 29 32 4O 47 50 50 56 63 64 66 70 72 81 1.1 2.1 2.2 2.3 2.4 2.5 3.1 3.2 3.3 3.4 3.5 3.6 3.7 3.8 3.9 3.10 3.11 3.12 3.13 3.14 3.15 LIST OF FIGURES Geometry of the scattering problem ................... 8 Geometry of the grating problem .................... 27 Geometry of the PML problem ..................... 33 ZnS overcoated binary silver gratings .................. 47 Groove depth and enhancement ..................... 48 Second harmonic enhancement ...................... 49 Geometry of the inverse scattering problem ............... 55 Dielectric properties at frequencies described by Debye model [42] . . 56 Geometry of the inverse scattering problem ............... 63 Real part of smooth scatterer function ................. 73 Imaginary part of smooth scatterer function .............. 74 Born Approximation of the real part of smooth scatterer function . . 74 Born Approximation of the imaginary part of smooth scatterer function 75 Final construction of the real part of smooth scatterer function . . . . 75 Final construction Of the imaginary part of smooth scatterer function 76 Real part of piecewise scatterer function ................ 76 Imaginary part of piecewise scatterer function ............. 77 Born Approximation of the real part of piecewise scatterer function . 77 Born Approximation of the imaginary part of piecewise scatterer func- tion .................................... 78 Final construction of the real part of piecewise scatterer function . . . 79 Final construction of the imaginary part of piecewise scatterer function 79 vi LIST OF TABLES 3.1 Typical dielectric properties of various tissues in the breast [27] . . . 51 vii Introduction This research focuses on mathematical and computational studies of second har- monic generation in electromagnetism and optics. Second harmonic generation arises from the nonlinearity of optical materials. When a plane wave with frequency w is incident on a nonlinear structure, the nonlinearity of the structure gives rise to the scattered waves at both frequency w and 2w. This important phenomenon is known as Second Harmonic Generation (SHG) in nonlinear optics. A significant application of SHG is to obtain coherent beams of light in parts of the spectrum at which lasers cannot be made and to construct optoelectronic devices based on nonlinear effects in waveguides and Optical fibers. In chapter one, we established the uniqueness and existence of the solution of Maxwell’s equations in a bounded domain containing a nonlinear medium. Consider the electromagnetic field scattered by the nonlinear medium. Because of inhomo- geneity of the medium, the governing equations are Maxwell’s equation with jump coefficients and a source term. By using the Sommerfeld radiation condition, the model scattering problem may be truncated into a bounded domain. The solution of Maxwell’s equation is represented by spherical harmonics. LP estimate for the equations are established, which gives rise to the wellposedness of a linearized model. In practice, the SHG optical effects are often too weak to be observed. Therefore, modeling and enhancement of SHG are of great interest to potential real applica- tions. It is pointed out that the SHG can be greatly enhanced in periodic structures. In chapter two, questions on the existence and uniqueness have been studied. W’e have developed an adaptive finite element method for solving the model scattering problem. The medium or computational domain is truncated by a perfect matched layer (PML) technique. Error estimates are established. Numerical examples are provided, which illustrate the efficiency of the method. Numerical solution of the nonlinear model problem in three dimensions is completely Open, which will be one of my future projects. In chapter three, we consider the inverse scattering problem arising from breast cancer detection. The problem is to determine the dielectric property of the tissues from the measurements of electromagnetic field on the surface, given the incident field. In addition to the ill-posedness and nonlinearity of the inverse scattering problem, one major difficulty lies in the multiple scales of the problem. The tumor is comparably small in the computational domain, which makes the computation challenging. Another difficulty is due to the dispersive nature of the human body. Maxwell’s equations in dispersive media must be studied. A continuation method is developed for this problem. The algorithm needs multi-frequency Dirichlet and Neumann data on the surface. The initial guess comes from Born approximation. The dielectric constant is updated by using higher and higher wavenumber k. CHAPTER 1 LP estimate Of Maxwell’s equations in a bounded domain 1.1 Introduction Second harmonic generation (SHG) is a well known nonlinear optical effect. It was first demonstrated by P. A. Franken, A. E. Hill, C. W. Peters, and G. Weinreich [33] in 1961. The demonstration was made possible by the invention of laser in 1960, which created the required high intensity monochromatic light. In the experiment, they focused a ruby laser with a wavelength of 694 nm into a quartz sample. They sent the output light through a spectrometer, recording the spectrum on photo- graphic paper, which indicated the production of light at 347 nm. The physical mechanism behind SHG can be understood as follows. Due to the nonlinearity, the incident (pump) wave generates a nonlinear polarization which oscillates with twice the fundamental frequency. According to Maxwell’s equations, this nonlinear po- larization radiates an electromagnetic field with this doubled frequency. The latter also interacts with the fundamental wave, so that the pump wave can be attenuated (pump depletion) when the second harmonic intensity develops. Energy is trans- ferred from the pump wave to the second harmonic wave. It is a very important nonlinear optical effect because theoretically coherent beams of light can be obtained in parts of the spectrum at which lasers cannot be made and optoelectronic devices based on nonlinear effects in waveguides and Optical fibres can be constructed. The reader is referred to [52] for detailed descriptions of nonlinear optics. A PDE model was introduced in [48], [49] and [50] to describe nonlinear SHG in periodic structures. In Bao, Minut and Zhou [18], the regularity is studied for the solutions of Maxwell’s equations with source term in a domain with jump dielectric coefficients. These Lp estimates are further employed to solve the linearized SHG problem in a periodic structure. In this paper, we study the regularity of Maxwell’s equations for the scattering by a bounded domain of a nonlinear medium. Although the interior estimate is the same as in [18], the boundary estimate requires a new technique. A striking difference is due to the decay rate of the fields away from the medium. In the periodic case [18], the fields decay exponentially, which makes the L()0 norm estimate easier. For the scattering from a bounded medium, because of the slow decay of the fields away from the medium, we must use fine properties of the Hankel functions and spherical harmonics. For simplicity we assume the medium is nonmagnetic (p. E [1.0) and no external current or charge is present in the field. The following Maxwell’s equations hold: as - __: E at vx , 013 .. ‘37—”va where E is the electric field, H is the magnetic field, B is the magnetic induction, and D is the electric induction. The constitutive equations are: [3' Hoff, U1 ll CUE-F f3, where #0 is the constant magnetic permeability, 60 is the dielectric permittivity in vacuum. P is the polarization. The time harmonic solutions of Maxwell equations, also called plane waves, are complex-valued fields: that satisfy the system of time-harmonic Maxwell equations: —o V XE = —z'w,uf_f, where w stands for the frequency of the electromagnetic waves. In the linear case, the polarization is induced linearly by the electric field: where XU) is called the linear susceptibility tensor. Thus, if a beam of angular fre- quency w is passing through the medium, a polarization oscillating at w is produced which in turn serves as a source for the further propagation of the original wave at w. If the light intensity is high (as lasers), the nonlinear effect will play a role and the polarization will depend nonlinearly on the electric field [52]: 13 = X(1)E + x(2)E2 + X(3>E3 + where Xm is the i-th order susceptibility tensor. Throughout, we restrict our at- tention to the 2nd order susceptibility by ignoring the higher order terms. Hence "_ (1) (2) . P“ 2 X-j Ej+ Z X-jkEjEk’ 3.213233 jak:1a2a3 where 132' is the i-th component of E It is clear that the second term in the polarization may generate fields of frequency 2w. Let Em) = Eéjw)(x)e—-ijwt + 56(jw)(x)ezjwt_ We can write the total field as E‘ = EM + [35(2‘”). Then, by omitting eiiwt terms, EjEk = (E83?)($)e—zwt +E(()j)($ ) ezwt+E$w)($ )e—i2wt+E(()2W)(x ) ei2wt). (Eé:)($)e—iwt+E(()k)(x ) eth+E(()i (”(13% )e —i2wt+E(giw)(x )6 iZwt) w —zw w 2w to) w 2w _E(()j)E(()k) 2t EE P3681.) t+EélEék) 2t (“1 ) (zwle —zwt+ (2w) (w ) —iwt (2w) (w )z'wt +E0j EOke +E0j EOke +E0j EOke . It follows that Pl‘ 2X2)“; (fie—taut +E(()j)e iwt+E83w)e _z'2wt+E(()2w)e i2wt) (2) (WE (301:) —i2wt (w ) (2W) eiwt (w ) (w) ei2wt +JZX Xl]k( (E0 6 +on EOke +on EOke {(91 ) (2w) —twt (2w)—(w) —iwt (20’) (w ) iwt +5703} EOk e +E0j EOk e +E0j EOk e ) by ignoring the 3w and higher order terms. Evidently, the combination of two fields of frequency w generates the second harmonic field. The time-harmonic Maxwell’s equations become (by dropping subscript O to simplify the notation) V XEW) = —'iw,u.0ff:w), v xI-I(w)= zchEW )+ iwjzk(2 x_ jl)c(E Elia”) + E§2w)E(w)), “(2&1) V XE H(2u1) = —'i2tu;10 , ~ 9 . -' . . 2 w w v wa) = 22..)(0EW) +22kaxlng§ )EIE ). J, The nonlinear polarization may be treated as a source term in lV'laxwell’s equations. Rewrite the equations as V XE = —iwrtfi, v xH=iweE+§, (1.1.1) where g’ is the source term. The rest of this paper is organized as follows. In the next section, spherical harmonics are introduced to represent the magnetic field. The boundary condition is derived on the artificial boundary S R' Section 3 is devoted to establishing the LP estimate on S R' The wellposedness of the model problem is proved in Section 4 and Section 5. 1 .2 Spherical Harmonics Consider a bounded nonlinear medium enclosed by a boundary surface S. Assume that the dielectric coefficient is 61 inside S; 50 outside of S. It is assumed to be vacuum outside the medium. N ow let S R be the sphere of radius R such that S R encloses the whole nonlinear medium. Outside the medium, the electromagnetic fields satisfy (1.1.1) with g = 0. For simplicity, the arrows are omitted throughout this section. Taking curl of the second equation and eliminating the electric field E gives: v x (v x H) = —w2ueH. By employing the vector identity: VX 00 r We will now use spherical harmonics to represent the solution of this equation. Spherical harmonics are the angular portion of an orthogonal set of solutions to Laplace’s equation represented in a system of spherical coordinates. The readers are referred to [45] and [1] for detailed discussions of spherical harmonics. In spherical coordinates, equation (1.2.1) becomes 18(7‘2%—H 2 7287‘ )+ TizASUH+kH= 0, where 1 a2 1 a 8 Aso _ 5,395,? + EM "1600) is the Laplace-Beltrami operator on the unit sphere SU. The Hermitian product in L2(SU) is given by 27r / uvdo— — / [flaw t(,6 (1)) sin 6d6d¢. SU Let H1(SU) be the Hilbert space H1 = {u 6 flag), vsUu e (L2(SU)>2} with its Hermitian product u,v =— uvdo+ V av odo. ( )H1(SU) 4 S S( S S ) The Laplace—Beltrami operator is self-adjoint in the space L2(S). It admits a family of eigenfunctions which constitutes an orthogonal basis for the space L2(S). This basis is also orthogonal for the scalar product in H1(S). These eigenfunctions are called spherical harmonics. Denote by 371 the space of homogeneous polynomials of degree I that are har- monic, with restrictions to the unit sphere. We list the following theorem from [45] without proof: Theorem 1.2.1. Let Ylm, —l g m S 1, denote an orthonormal basis of 371 for the hermitian product of L2(S). The functions Ylm, forl Z O and —l S m g l, consti- tute an orthogonal basis in L2(S), which is also orthogonal in H1(S). Moreover, yl coincides with the subspace spanned by the eigenfunctions of the Laplace-Beltrami operator associated with the eigenvalue —l(l + 1), z e ASYlm +l(l+1)Ylm = 0, and the eigenvalue —l(l + 1) has multiplicity 2l + 1. The spherical harmonics of order l are the 21 + 1 functions of the form: 1 l +— ( l _ m)! 1 imgb m cos 27r2 (l+m)l '128 Pl ( (0)) where an(cos(6’)) are associated Legendre functions. They have the following properties: —m mll‘m! m “”1 2H) (l+ml!Pl’ WW, ¢> = sums—me, a where the superscript * denotes complex conjugation. The spherical harmonics form a complete set of orthonormal functions and thus form a vector space analogous to unit basis vectors. On the unit sphere, any square integrable function can thus be expanded as a linear combination of these: =2 2 flnfi’W» l=0m=—l The expansion coefficients can be obtained by: 27r 7r 17” = (2f(9.¢mm*(9.¢)do= f0 ems/0 d6sin6f(6.¢mm*(6.¢>. We now expand the magnetic field by spherical harmonics. Let Z Hosts): 2191(7) Z lilelm (0,95). 120 mz—l 10 Suppose that on the boundary SR: we»: zzu l— — Om— — — for some constants ugn. Substituting this solution into the Helmholtz equation, we have d2Hl 2d_H, 2 1(1+ 1) k — H 2 dr2 7‘ (17‘ ( r2 ) l 0, i.e., the spherical Bessel equation. It can be transformed by rescaling to 1(1+1) d2H 2dH ___l+__l+(1_ Tml =0, (1.2.2) (172 r dr A useful Lemma from [45] about the spherical Bessel equation is stated here without proof. Lemma 1.2.1. The spherical Bessel equation (1.2.2) admits two families of solu- tions, known as spherical Hankel functions, which satisfy the recursion formulas d 1 1+1 (1,111: ;:Hz H1+1=——H1+Hl— 2z+1 Hz+1+Hz—1= ,. Hz- The spherical Hankel functions are given by the expressions 1 1d ei h§ )m = <—r>‘<;;,;>’<7>, 2 1d 6‘” h) )(r>=<—r>’(;;,;>’< 7, ); more specifically by ir h1)(7)=(—i)le——T (”15+ U31: +-- -l+()lfil(‘1‘ )1) l (m + l)! m!(l — m)!2m' ( l ,,§2)( ):h<1>( ) flirt = 11 The function satisfies the recursion formula (zl _ 1 — (z — 1))(zl +z+ 1) = —r2. Moreover, 1 1 1 1+ oar—2 + + 05m = r2|h§ )(r)|2, (1.2.3) l am = flinfliii In addition Writing the solution as: Hl(r) = 711h§1)(kr) + ’yl‘ghl(2)(kr). By looking at the explicit forms of spherical Hankel functions: hl(1)(r):(_z tr)“:— ([30+ifl1:+ +(lllfill(‘1‘)la) hi we obtain: (:)_H_ —ik.=H Z Z [[k7l1h1( —h(1)(kr)—ihl(1)(kr)), l=0m=— + k7'2h;"‘(%hl(2) (kr) — ili§2)(kr))]Ylm(6, e). 12 From Theorem 1.2.1, we know that %hl(1)(k7") — z"1(1)(kv) N 1'3()((—z illmelkggrg eikr — i(—z')lei:cr) = fi6(-(- )1 :71“; 219%?th _ MPH”) N fié((i)lflik€_i:;:2‘ e—z'kr _ i(i)le—:kr) = Btu-flit + 13—71? — 11%). But by the Sommerfeld’s radiation condition, we need Mfg—H — ikH) —+ 0 as r ——> 00, r which concludes that 712 = O. Plugging in the boundary condition, the solution becomes H(r,9,¢) = 20 m2— umYl’” (6 95) (1.2.4) 1: = —lhl(1)(kR) On S R1 we have 00 l giFISR =2 Zifi (kR) )ul MY; (9 as). (1.2.5) =0m:— It follows that the problem may be truncated into a bounded domain with the boundary S R and a boundary condition (1.2.5) on S R' 1.3 Boundary Estimate Our goal is to establish global estimates for the solutions of the scattering problem. We first present a local estimate from [18] which provides the LP estimate inside the dielectric and on the interface. Throughout the paper, C stands for a positive generic constant whose value may vary step by step but should always be clear from the context. Let 1< p < 00, let B be an open ball in R3 and let 97 E Lp(B). Let E E Lp(B) and H E W17p(B) be a solution of (1.1.1). 13 Let S be a C2 surface embedded in R3 such that S divides B into two connected components B+ and B‘. Assume the electric permittivity c is defined by 6+ in B+, 6" in 8‘. Theorem 1.3.1. (Local estimate) For any 3’ with B' C B, IIEIILP(BI) + llHHW1,p(BI) S C(llfillLP(B) + llglllfvug) +“EHW_1’p(B))’ where C is a constant depending only on p, B’ and B. Therefore, in order to establish global estimates, it suffices now to obtain LP estimates for the solutions of Maxwell’s equations on SR. Our main result in this paper is: Theorem 1.3.2. Let Q = {:cIR — (5 < |:L‘| g R}, 1 < p < oo. Assume that H e whim), E e we) in e satisfy: V XE = —iwufi, V XI? = iweE. Then I? < C H n IIW1,p(Q,)_ n 1me) for any/9’: {IBIR—6 0, there is a positive function f (r) on [R, R + 6] such that the maximum of f (r)|H | on Qe is on 096, i.e., we have the maximum principle for f (r)H on the domain 98. Re- 16 member that this f (r) is needed since H itself can not have the maximum principle. After this modified maximum principle is established, we only need to show that H < C H . ” ”LOO(SR+6) _ ll ”LOO(SR) To construct the function f (r), set V = f (r)H . We have Av: (1(§(2§»+-} —A§V 2 _-:T—I2{f(r )+2-a£f(r )+f"(r )H+g%—I:-f(r )+§Hf’(r)+;12-A5Hf(7‘) =a4¥HRa+00%greraflewr+;Hfle> 8V , =—k2V+2ff+TV+-12:Vf7 V’f__f—2__ VfI+ +fTNV+2Vf7l ff)? +—f’—’+§£]V+2;2flv In order to use maximum principle of elliptic differential equations, we need to find = —k2V+2f’ =I—k2—u a function f such that f/2 f f” 2 fl< )2_____ k2——+2( f Tf_0 fl Let —f— — y. Then the equation becomes 2 Now set y = k tan(k(r—R)), (5 < 217%. Then y’ = k2(1+tan2(k(r—R))) = k2+y2, 2. and y 2 O on [R, R + (5]. Consequently, k2 + y2 — y' — 7y 3 0 on [R, R + 6]. It is easy to verify that l f : cosk(r — R) is a solution for y = k tan(k(r — R)). Therefore 1 g f S x/2 on [R, R + (5] for any 6 S ZR. W'hen r e [R, R + (5], the function [V] achieves its maximum value on the boundary. 17 Next, we will show that H < C H . I] ”LOO(SR + 6) _ H “LOO(SR) From the arguments for p = 2, we know that CllHlle s CIIHII 190(33)- “H “L2(R 0 as n —> 00. Write Hn in spherical har- monics: Hn(R =2 2— lmh Define THn(R,0,¢) = l— — Om— — [20771: —(l———1)(k)hnlYlm(6 Q). There exists g(r,6’,q§) E LOO(Qe) and = = ‘lhl )(kR) N g(r,6, (1‘)) 2219;1(6, ¢>X1k= where X1}: is the characteristic function on 1k, MAT U 116: U1] [Tkfl‘k +1] : [R, R + (5], and [[gk(6,¢)[]Loo(QA) S 2, where k— -1 k— — ' 9k = {(r, 6, ¢)[r E 1A.}, such that 18 llHnll = llTHn(R,9,)ll L1(Qe) = | / THn(R,0,¢)9(T19,¢)dl/l fie L1(Qe) N =l 2: / THn(R,6,¢)gk(6,¢)xldeI N =I 2 f9 THngk(6.¢)d1/I=I = 11: Write gk(6, (1)) in expansion of spherical harmonics: 277 7r 00 1 f0 TH(R,0,¢) Z Z77 17,2}1/ m,(6 ¢)r2 sin0d0d¢dr| m: k=1rk l=0 —I N r 27r 7r k+1 =| 23/ / H(R,6,¢) ———)—nZ]Ylm (6, (1’))?“2 sinddddodrl From Case 2, we know that ||Tgk(6,¢ (15)||Loo(Q e) g t Cl] 2 Z nEI/lm( (6, ¢)||Loo(S R.) Therefore l— — Om—— - —l R I < H T I- < C H . _ C” ”L1 (2:1 [I QkHLOOm ell 1.]— I] ”L1(SR) By the density of COO(SR) in L1(SR), we proved the conclusion for p = 1. Again from the Reisz Convexity Theorem, we get “H“LPme) S CllHllLP(SR) forlgpg2. El 19 1.4 Existence and Uniqueness In this section, we establish the existence and uniqueness of solutions for the lin- earized SHG problem. By linearization, we mean the following equations: .7 x50») = _.-..,.Og, H V xH(w) = iweOE(w) and V XE<2W> = —i2quI-f(2w), - . ~ . 2 V XH(2W) = z2weOE(2w) + 22w 2k X(j;)cE('w)E}(cw)- J, This approximation assumes that the electric field of the incident and diffracted waves at the initial frequency to inside the nonlinear medium acts as a source for field generation at 2w. In addition, the SHG is assumed to be so weak that its influence on the field at the initial frequency is negligible. From the regularity result proved in this paper, we obtain the following well- posedness result. Theorem 1.4.1. Let SR 2 {:1:| |:c| = R}, BR 2 {:I:| |:1:| < R} and Q C BR. Suppose Xe]: E LOO(Q), x2226 = 0 in BR \ Q, supp(m) C Br \ Q for some 1" < R, and m E LOO(Q). Let 60 in BR\Q, f: 61 in Q. Then the linearized SHG model problem V xE = -iweE(w) + 773., 20 V XEQw) = —2°2w11H(2w), v xHQW): i2weE(2w) + 121.229 x- k )Ejl‘” ”Eff” in 83, j. k 8H ~ 0n _=|SR TRH on SR has a unique solution (H(w),fj(2w)) 6 W111? and (E(w),§(2w)) 6 LP for any 1 0, denote QT = {.17| ICL‘1 — 1(1)] < r, Ircg — 1:9] < r, [$3 — (cgl < r}. One may choose R such that Q R C 9. Using a transformation, Q R is mapped into a set containing a neighborhood Q R0 of the origin. Without loss of generality, the preimage of Q R0 is assumed to contain Q R /2. For simplicity, we shall omit the primes and set (in the new coordinate system) 21 Q1210 = QRO flag > 0},Q;,0 = QRo flag, < 0}. Consider a more general model problem in QRO ox, Wax]- ox, J” Jar]- +du+f =0. (1.4.1) Suppose that u E 07(QR0) flH1(QR0). Suppose also that the coefficients aij, 7 J) part of the operator is elliptic in Q R 0, i.e., there is a constant CO such that bj E 07(62350) and cj, d, f E C(QEO) have ajump at $3 = 0 b- and the principle Ease-5,12 cola? The 01,01 regularity of H near the boundary S can be obtained by the following theorem. See [8] for a proof. Theorem 1.4.3. Under the above assumptions, the solution of (1.4.1) satisfies u e Cl»a(QIi,O/4) forsomeO<01 <1. 22 CHAPTER 2 Numerical Solution of Nonlinear Diffraction Problems 2. 1 Introduction Consider a plane wave with frequency w which is incident on a nonlinear periodic structure (grating). The nonlinearity of the structure gives rise to the diffracted waves at both frequency w and 2a). This important phenomenon is known as Sec- ond Harmonic Generation (SHG) in nonlinear optics. A significant application of SHG is to obtain coherent beams of light in parts of the spectrum at which lasers cannot be made and to construct optoelectronic devices based on nonlinear effects in waveguides and Optical fibers. We refer to [52] for a detailed description of nonlinear optics. In practice, however, the SHG optical effects are often too weak to be observed. Therefore, modeling and enhancement of SHG are of great interest to potential real applications. Recently, a PDE model was introduced in [48], [49] and [50] to describe nonlinear SHG in diffractive gratings. It is also pointed out in [49] and [50] that the SHG can be greatly enhanced in periodic structures. Questions on the existence 23 and uniqueness have been studied in [8]. We also refer to [12] for more recent results on the optimal design of nonlinear gratings. To solve the model scattering problem, the first difficulty is to truncate the domain into a bounded computational domain. In [7] and [11] the authors used finite element method based on variational formulation in the bounded domain containing the medium, with periodic condition in (1:1 direction and transparent boundary condition on the top and bottom boundaries. The derived transparent boundary condition is represented by a quasi-differential operator and is nonlocal. In practical computations, the infinite series in the definition of the quasi-differential operator have to be truncated. Here we apply the perfectly matched layer (PML) technique to truncate the unbounded domain. PML was first introduced by Berenger in [21]. It provides a reflectionless interface between the region of interest and the PML layers at all incident angles. The layers themselves are lossy, so that after a few layers the wave is significantly attenuated. The main advantage of a perfectly matched layer as a. boundary condition is that it provides a reflectionless interface for the outgoing wave at all incident angles. Another advantage is that it preserves the sparse nature of the FEM matrix, so that the matrix system can be solved easily. We refer to [54] for a review on PML methods. In practical applications involving the PML method, there is a judicial compromise between a thin layer, which requires a rapid variation of the artificial material property, and a thick layer, which requires more grid points and hence more computer time and more storage (See [25]). In this paper, we use an a posteriori error estimate to determine the PML parameters. Moreover, the derived a posteriori error estimate shows exponential decay in terms of the distance to the computational domain. This property leads to coarse mesh size away from the computational domain and thus makes the total computational cost insensitive to the thickness of the PML absorbing layer. Moreover, since the grating surface is usually piecewise smooth, and across the 24 surface the dielectric coefficient is discontinuous, the solution of the scattering prob- lem will have singularities which slow down the finite element convergence when using uniform mesh refinements. The a posteriori estimate adaptively determines the finite element mesh size which overcomes this difficulty. We refer the readers to [10],]11], and [47] for a general review of the modeling and computation of the grating problem. An introduction of PML and adaptive finite element method applied to linear grating problems may be found in [22]. 2.2 Modeling of the Nonlinear Grating Problem Assume the medium is nonmagnetic (u S no) and no external current or charge is present in the field. For convenience, the magnetic permeability is assumed to be unity everywhere. The following time harmonic Maxwell’s equations (time depen- dence e-iwt) hold: VxE'zzi‘J-H V-H=0, (2.2.1) C V x H = ——D V - D = 0, (2.2.2) C where E is the electric field, H is the magnetic field, E is the electric induction, and c is speed of the light. The constitutive equation is: _.—-. [j = 6E + 47rX(2)(:1:,w) : EE, where e is the dielectric permittivity, w is angular frequency, and X0) is the second 2) order nonlinear susceptibility tensor of third rank, i.e., X( : RE is a vector whose 3 jth component is Z xfi] EkEl, j = 1, 2, 3. The medium is said to be linear if k,l=1 13 = 65 or X02) vanishes. In principle, essentially all optical media are nonlinear, i.e., D is a nonlinear function of E. 25 In this paper, we only consider the 1-D grating problem by assuming that all fields are constant in the $3 direction. The medium is determined by the dielectric coefficient e(:r,w) = 6(1‘1,:1:2,w). Assume that the dielectric coefficient is periodic in 51:1 direction with period L: e(:r1+ nL,a:2,w) = €(:1:1,:1:2,w), Vzrl,:1:2 E R, n integer. Assume that the nonlinear medium is contained in the region Q = {($1,132): 0 < 51:1< L and b2 < x2 < b1} for some positive constants b1 and b2. Assume that e is constant away from a region Q, i.e., there exist constants 61 and 62, such that: 6(331,;1:2,w) = 61(w) in 91 ={(:1:1,:1:2):a:2 2 b1}, 6($1»$2aw)= E2(a)) in 92 = {($61,952) = 5132 S b2}, and e is piecewise constant in Q with jumps at certain interfaces. Assume further that (21, {22 are linear media. The assumption on the piecewise linear medium is technical which is needed to assure proper regularity of the solution. The main theoretical results (Theorem 2.4.1, Theorem 2.5.2) remain valid in the case of an inhomogeneous medium with sufficient smooth 6 and interfaces by the regularity result in [8] The electric field of the incident and diffracted waves at the fundamental fre- quency c121 inside the nonlinear medium acts as a source for the field generation at the second harmonic frequency 21121, and it is assumed that the SHG is so weak that its influence on the field at the fundamental frequency is negligible. This is the well known undepleted pump approximation in the literature. See [49] and [50]. Under 26 5C2 A 91 b1 F1 a b2 {‘2 Q2 5’31 Figure 2.1. Geometry of the grating problem this assumption, the electric induction [3 may be written as: final) = 5(I,w1)E($,w1), fi($,w2) = c(:c,w2)E(:1:,w2) + 47rx(2)(:1:,w2) : E(:1:,w1)E(:r,w1), where 1122 = 21111. In the linear case, TE polarization means the electric field is transversal to (3:1, 332) plane. TM polarization means the magnetic field is transversal to ($1, 2:2) plane. In the nonlinear case, however, the polarization is determined by group sym- metry properties of X(2)- Here we assume that the electromagnetic fields are TM polarized at the frequency “’1 and TE polarized at the frequency L122. This polariza- tion assumption is known to support a large class of nonlinear optical materials, for example, crystals with cubic symmetry structures. See [12] for detailed information. Therefore H($,w1) = H(rr,w1)1“73, 1 E(:1:,w2) = E(:r,w2):r:'3. 27 Define for convenience Lu’j . kj(:1:) = 7 e(:1:,wj), 111 Q, = — 61(wj), j,l = 1,2. From equation (2.2.2), we deduce that 8H(:1:, 1111) _ 8H(:1:,w1) 8172 i (9171 ( ,0) = —iw716(x,w1)-(E1(x,w1), E2(:1:,w1), E3(ac,w1)). So 8H(:1:,w1) _ iwl W - C €($,w1lE1(l‘7w1), 8H(a:,w1) _ ital ——————a$1 — c c(:1:,w1)E2(2:,w1). Also from equation (2.2.1), ital 8E3 6E2 6E1 8E3 8E2 8E1 i a _ ) = (03 O, H): 82:2 823 (9233 (91:1 8:131 8:132 c where for simplicity, we omitted the variables. Hence ltd—1H—aEz_6E1 c _ 81:1 022' It follows that , 2 2 2 2 1 0 6H 8H c a H 8 H V- —VH=V- —————,—-——,O =— + , (k? ) (w%e(3$1 6371 )) w¥e( 6113? (92:3 ) 0 BBQ 8E1 c2 02H 82H H:T_(—_— =_T—2_+——2)' zwl 6x1 @5132 “116 8331 0:132 Therefore we get the equation at frequency col: 1 "1 By a similar derivation, the equation at frequency L122 can be obtained: 47w. 2 (A + k3)E : ——;2—2— Z ng](;r,w2)(E(27,w1))J-(E(13,w1))l I j7l:132,3 = Z pj,la.x,Hax,H. 3,1 = 1,2 28 - l 167r (2) (—1)]+ ___—M -- (emu)? 33’ Throughout, we assume that klj > 0, 9?ij > 0, S‘s/£2]- 2 O, 3161(2) > 0, where pjl = (311:1(1‘) Z 0. 2.3 Variational Formulation 2041.131 Let u I = e — i5 151:2 be the incoming incident plane wave upon the grating surface from the top, where 011 = kllsin 6, HI = kllcosl9, and —g < 0 < Z;- is the angle of the incident. We are interested in the “quasiperiodic” solutions, i.e., solutions (H, E), such that u = He_ialxl and v = Ee—i0‘2xl (012 = 1:21 sin 0) are periodic in 2:1 with period L. n) 2 n For each integer n, let 01( = %. Since 21 and v are periodic in 11:1, they have the following Fourier expansions: n u(,:131 11:2) 2: u(n ia( )xl, nEZ Tl v()$17$2 =2 ,1an )fl, nEZ L . L . where u(n)(:rg) = %‘/0 ue_7’a(n)x1d$1 and u(n)(:1:2) = %/0 116—201(71)“de- Hence we have the expansion for H and E: H ___ ueialxl = Z u(n 01(705171 + ialxl n E Z E : 116202171 2 Z 7J,(n)eior(n):r.1 +ic125131. n E Z Define Fj = {($1,222): 0 < 2:1 < L,:1:2 = bj},j=1,2. We wish to reduce the problem to the bounded domain 0. The radiation condition for the diffraction problem insists that (H, E) is composed of bounded outgoing plane waves in {21 and $22, plus the incident wave u I in {21. 29 Since H satisfies the Helmholtz equation AH + [£ng = 0 in {21, we have 2 . n 2 [111+ oil)2 + 5—,,(n)(,2,,6.(a< ) + “1)“ = o, n E Z $2 2 k21— —(a (n) + (11)2 + $11(n)(22) = O for (152 2 ()1. (2.3.1) I2 For any integer n, and j,l- —— 1, 2, define fill] that satisfies (fl? [)2- — [€31- (01 (n)+ a )2 and u(finl) > 0. One can easily verify that ,611— — El. Solution of (2.3.1) can J then be written as - n ~ - n with complex constants U f”) and 0]”) . The radiation condition implies H 101) = 0 in 91 and gives: (71) H=u1+ Z 11]" +all$1+lfl11$21$691 nEZ Similarly, we can deduce the following equations: 2: U2(n)e (n)+ (11).??1 — zfl12$2 :L‘ E Q2, n E Z :2: Vln( (71).]. 012).??1-1- 2321232 :1: E 91, n E Z n E Z - n For any quasiperiodic function at frequency 1.121, f = E: f (n)ei(a( ) + (311)31: 1 n E Z or at frequency 1122, f = 2 f (n)eZ(Q( ) + (.12).’1:1, define respectively the Dirichlet n E Z to Neumann operator, which is introduced in [11], Tut: Z islnlfmleimmuf’j)“, 0 f(kwwmczz-i/jkl—51T13991wdx j2=1 =/ Wow-[13w— 22: / flay-«122.6. Q Q j=1 Fj Bu Note that —a—1 —T11u1 = —2i1‘31u[; the weak formulation of the nonlinear 1-D grat- 1/ ing problem then reads as follows: Given incoming plane wave u I = 62013: 1 _ zfil 332, find H E X1(Q) and E E X2(Q) such that: B H,1/) = —/ u 'wdr, VLOEX (Q, 1( ) F1k21 I 1 ) 8__H_ 8H— j,l= 12p 31 Assume in the following that the variational problem has a unique solution. Then the general theory in [6] implies that there exists constants 71 > O, 72 > 0, such that: l8j(80,1/))l sup ———-— ”I” VCpEXj(Q). o¢weHHm VHVm 2.4 PML Formulation Now we introduce the PML layers. We surround our computational domain 0 with two PML layers of thickness 61 and 62 in 01 and 92, respectively. The specially designed model medium in the PML layers should be chosen such that either the wave never reaches the outside boundary or the reflected wave is so small that it essentially does not affect the solution in Q. Let 3(x2) = 81(1‘2) + i32(a:2) be the model medium property which satisfies 81,82 6 C(R), 31 2 0, 32 _>_ 0, and s(:z:2) = 1 for b2 3 2:2 S ()1. Introduce the PML regions: 95A“; ={(:z:1,:132)2 0 < 11:1 < L and b1< 332 < b14451}, 92”“ = {($1,352) 0 < x1< L and b2 —62 < £2 < b2}, PfML ={(:1:1,:c2): O < 2:1< L and $2 = b1+61}, Pgfl’ll’ ={($1,1‘2)Z O<:1:1< L and 11:2 =b2—62} and the PML differential operators: £—~34 lsei34+ a 1 1 ai+ari 1 (91:1 kflli) .2 0:171 8:192 1%(33) s(:1:2)(9:z:2 '2 ’ a a a 1 a 2 = — k. .. . . 011(5(12)011)+ 01:2 3(1‘2) 0:1‘2) + 2(T)S(T2) £2 Let D = {(171,172) :0 < 11:1 < L,b2 — 62 < 172 < b1+ 61}. The PML model can be formulated as follows: 32 $2“ b1 + 61 QPML FiDML 1 b1 P1 9 b2 Q£3.le F2 b2 — 62 Pf M L E£1 Figure 2.2. Geometry of the PML problem C H = —g 1 1 in D, 32E = —92 where £111.] in QfA'IL, 91 = 0 elsewhere, 92 Z — Z pj lamj H 8171 H elsewhere with boundary conditions: A H(O, 1172) = e_m1LH(L,:I:2) for ()2 — 52 < 1:2 < b1+ 51, A E(0,$2) = 8—i02LE(L,fB2) for ()2 — 52 < 1:2 < b1+ (51, 33 H2211 on FfML, H = 0 on rgML, E: 0 on prL, 5:0 0.. rgML. Let G be any open set in D, introduce the subspace of H1(G): Xj(G) = {w E H1(G) : we, 2 "we—0.7.221 is periodic in 1:1 with period L} and the sesquilinear form AjG: X j(G) x X j(G) +—+ C as follows: 1 (flaac’MJr 1 16¢aa/3_ S 2 8:131 82:1 k%($) 8(232) 83:2 8:132 8d) 615 1 do 62; _ __ __ .2 f Agawm — /G(S($2lax1 an + W) 8352 BIZ k2s(x2>¢w)dx. Alcoa) = j ( seam/w. G k%(:z:) Define X§(D) = {w E Xj(D), w = 0 on FfML UI‘gML}. Then the weak formu- lation of the PML model reads as follows: Find H 6 X1 (D) and 1.3} 6 X20 (D), such that qul on FfML, H=Oon FgML, and A1 009,1» = [D 911;de w e x‘fw), (2.4.1) «@me = [D 921/de W e X§(D). (2.4.2) 1 Let A711]. 2 “5% —(a(n) +01)2|2 and U1j={n:k¥j > (a(n)+al)2},j = 1,2. And let [Xi] = min{A7fj Z n E Ulj}, A17: min{ATllj I n ¢ Ulj}' Introduce the following notations: b1 + (51 b2 01 Z/b .3(T)d7', 02 = /b 6 3(T)dT. 1 2 _ ‘2 34 — + 2AM 2A11 A411 : max( I — ’ R + ’ €201A11_1 6201 A11 _1 2A" 2A+ max( 12 , 12 if 362(011) = 0, 201 a- 20RA+ 2|k12| 'f 36 (w )> 0 R 1 2 1 v 3202 |C3k12| _1 R I where a]. and a]. are the real and imaginary parts of a -, respectively. Define C = \/1+(b1— b2)_1. It is proved in [22] that the problem (2.4.1) has a unique solution H, if (M11 + A112)C'2 s 71, and the following estimate holds: |31(H - HAM uwu 1,16,, +( lllH—Hlllm == SUP 0¢¢6Hkm M126 2 kn )IIHIIL2(F2)- Next we prove the existence and uniqueness of (2.4.2) and derive an error estimate between E and E. We first find an equivalent form of (2.4.2) in do- main 9. Similar to the previous argument, we write [:3 in the expansion E‘ = - 72 Z 0(")(12)e2(0( )+a2)$1 and deduce that n E Z n [T2 n $2 2 S(7’)d7’ . —ifl / 3(T)dT E = W 21 b wink 21 > M”) +a2>r1 n E Z in QffllL’ b b 2332/ 28(T)dT . #11332] 28(T)d7’ ( ) E : (V2006 1‘2 + {/2006 ”1:2 ) 81(0 n + a2):r1 n E Z 1.. 951%. 35 Then the constants V101), V101) , V201) and V201) can be uniquely determined by the boundary conditions E = 0 on FfML and FéDML: 1 :15 11:2 21331 5(T)dT . . —ifigl 8(T)d7‘ 175% f + fink. / 0, “201) + 12/2“) = 13(")(b2), b b2 zfln 3(T)dT . —i/3n S(’T)d7' Vénle 22[132 + Vén)e 22 [$2 _ 0 Thus we have: ( ) E = (32(x2)0(n)(b )ei(a(n) + 0‘2)“ in QgML, where b1 + 51 ()1 + 51 —ifl31/ 8(T)d7' #331] S(T)dT “n 532 n £132 —2 22/1) 6 S(T)dT 2322/!) 6 S(T)d7' 2 — 2 — e 2 _ 2 , - n For any quasiperiodic function f = Z f(n)ez(a( ) + 0(2):”, define . . . . .- (n) . ,. . n E Z Then 81? . . ‘5; —T2P1AILE= O OI] F1, 053 . 36 Introduce the sesquilinear form 35%le X2(Q) x X2(Q) H C as follows: 2 85’ ML(¢,212)= A)(V¢Vd3—k3($)¢i5)dr- Z) Aug/"Loam. .7 j = 1 We get the following variational problem: Find 19 E X262), such that: PM L 6H 6H2) _ B2 19 — 2.4.3 ( ,w— 1231,22,]an 0,le < ) j) — The following lemma establishes the relation of this variational problem to the PML model problem (2.4.2). The proof is straight-forward from the above constructions. Lemma 2.4.1. Any solution E of (2.4.2) is a solution of (2.4.3). Conversely, any solution 29 of (2.4.3) can be uniquely extended to the whole domain D to be a solution of (2.4.2). 1 Let A21]- : |k2j - — ((101) +ag)2|§ and U2]: 2 {n : kgj > (04") +012)2}, j = 1,2, then E2? = A2j for n E U2]: and fi2j— — iA2J- for n E U2j. Let A2]. = min{Agj,n E Ugj}, A2j— — min{A2j,n E Ugj}. From Lemma 2.2 and Section 5 of [22], we have the following lemma which plays an important role in the subsequent analysis. Lemma 2.4.2. For any qb, Lb E X262), the following estimate holds: A 7 I [F .(sza5 - T21} ”man s hay-Haw ,qung ,). (244) J J J where 25 2M [”21 = max( 82 IA?1 7 RAEI a 0121-1301 21-1 2A“ 2N max( 2 [Ag2 , 2 RA? ) if (3552022) = O, A122: €02 22—1802 22—1 2lk22| . O. , 0 R .. Zf\562(a12) > . €202 Ignaz! _ 1 37 Lemma 2.4.3. For any 4/) E X2(Q), llwll 2 L (rj) (2.4.5) 0 be the constant in the inf-sup condition, and (4121 + M22)C'2 < '72. Then the problem (2.4.3) attains a unique solution E. Moreover, the following estimate holds: |32(E - E. 4)! “4421(0) + C‘M22IIEH mE—mmg: mp 044eHHm S (3M21HEII (2.4.6) L2(P1) L203) + our? — HIIH1m) [IIHIIH1 + 5(2) + HHHH1+ 4(2)||l for some constant C which depends on the data of the original grating problem and 1 .5). some constant 6 E (0 Proof. It follows from Lemma 2.4.2 and Lemma 2.4.3 that IBPML(4 4)I>IB2(44) )I— Z/( T24— TRAIL4>4441 j=1 2 (32(444 — (M21 + M2462 “t“ H1(o)"'*"’”H1(Q)' From the assumption (21121 + A122)C'2 g 72, it is obvious that the bilinear form 1323]” L satisfies the inf—sup condition, and hence the problem (2.4.3) has a unique solution. It remains to prove the estimate (2.4.6). 38 Clearly, 62(4) — E, 4) = 3514142, 4) — 8203‘. 4) + 82(5, 4) — 85“”(13, 4) 2 fr (T21 —TPML)E44141+ [1‘2 (T22—T21‘32A4L)H4441 1 3H aH 6H 8H _ 4 z 44/ ___—.444 j,l—1 2 3 Q 871758—331 ij 8ch By Holder’s inequality, 0H 3H 6H 8H I Z pjl/Q( 5—4 0—4, “Jamal j,l=1,2 (6H8(H— 1H) 0(H—H)8H_ j,l=1,2 aHaH— H (H— H)aH_ 3 Z ijzlll 81:] ( >441 .4|+|/‘9((9 ___—WI] - r2 ],l=1,2 ‘ 3H 2—2 1 E Z ijlllllH—H” 1M(/(——)4d4)4 j,l=1,2 H (a) 9‘9“] ~ 8H _ l + ”H — Hll 141(9)‘ [9(5x—l)24244)4] < Z l-IIIH—Hu [ (51124,, ]2—,,( 942%); j,l=1,2 aH _ _ + ”9(a)“ )21‘9414] 2” (fa 42444) 2"} 1 1 for some 1 0. Define also — I + R 2Aile A1121 2A1L1e_A1101 A! =max( , ), 13 —2A“ a] —2A+ R 1—4 11 1 1.. 1101 42 IOIH l - 612 2(1 + 261(A;1+ kj1)) 2 1 0'1 = Cmax( J , , J —2A—. 0{ —2A,+. of? 1—e 31 1—e 11 l 1 - 2k; 62 2(1+2<52(A2 + k'2))2 Cmax( J22A2‘ 1’ 222+ I]? ) 1f 4620123) = O, Cj2: 1—8 j20 1‘8 j202 1 62lmaX(14|k_7°2|)(1 + 252(l‘3kj2I + |kj2|))l2 R for j = 1,2. The following is the a posterior estimate of the magnetic field at frequency to which is proved in [22]: Theorem 2.5.1. There exists a constant C > 0, depending only on the minimum angle of the mesh 111),, such that the following a posterior error estimate is valid: (311111 61412 |H—H| g( ”H —u H +(— H H (25.11 H hllm £321 ) h 1 L2(F1) [:22 )H )1 L204,» ) @4413 + I u —u 2.5.12 ( ki1 )H h 1 IHL2(PIIDML) ( ) 1 + C(1+ 011+ C12)( Z "i222- T 6 Mb. We next establish the corresponding estimate for the electric field at frequency 2421, which is the main error estimate of this paper. Theorem 2.5.2. The following estimate holds: HIE-13’ Ill 3((3M )IIE‘ ll +(C‘M W?! 2513) h 29 21 14142041) 22 hlL2(P2) ( l +C(1+C11+C12)( Z 713T)? 6611111 A - + H + H. H —- ( (221 )(H HHH‘W) II 14IIH1+5(Q))II h, u1||L2(I.1) 0041,, +( ( || +HH H )IIH 43 661413 + , H + H I u —u ( 1221 )(ll I|H1+2(Q) ll 4|IH1+4(Q))141 [(52,442) ~ - l +CC(1+021+022)())H1 14.; +1th 11.4 )( Z 42442. H (9) H (9) TeM 'h In order to prove this result, we first establish some lemmas. For any 7,0 E X 2(9), we extend it to be in X2(D) denoted by (b as follows: ' ’ 444:2 424014) 0‘2 2 i(a(n)+a2):c1 in QPML 3.21 2 .7 1 3 ' Lemma 2.5.1. ([22]) Let uj be unit outer normal to Dill/IL. Then for any (I), (,1) E X262), the following identity holds: PML ,7 _ 6472 F] P] J In what follows, for the sake of simplicity, whenever no confusion of the notation is incurred, we shall not distinguish 1b from w in 9;) M L . Lemma 2.5.2. ( error representation formula) For any (1) E X261), let 21) be extended to the whole domain D as above, and 1,49}, E V20 (D), 32(E — 13,144) = /D 9242(4) - 4),)42 - 1120(5)“? - film) +A‘ (T21 —T£‘ML)EthId$1 1 + A. (T22 — T2I22'IL)EHW$1 2 6H,, 6H,, 8H 6H - + p- f — ————)4d.4. 2.5.15 jlgl 2 fl 9(5xj 8201 at]- 8:121 ( ) Proof. From the definition, 82(E _ 1231,44?) = 32(E — E,v,’r) + 82(E‘ _ Eh???” 44 2 fr (T21 — TszliAIL)EA"I,l-Jd;r1 +/I‘ (T22 — TQISPPIL)E1Z‘dI1 1 2 BHBH BHBH — . + Z: pjl/Q( B—xj 67—23 Basj 6:1: —)z,l'd1: jl=1,2 l l +BPML(E— Eh,to)— Z/rj (ng— {J’MLxE— Ehwdxl j=1 .—_ f1“ (Tm—T21?! L)Ehi/2dat1 +/F (TQQ—TQISML)E,,¢7dx1 1 2 0H 8H 6H 8H PML +. Z p]l_/§‘2(8:L'j 8:131 —j6:z: —Bz—l-)w wda: +28 (E_ Eh '2) Also BPML(E— Em»): Ang— Eh,rb)— i/jr TPML(E— Ehwdxl ]— — 1 2 . 82b _ $1ng — Eh, 11)) + 2 (E — Myers] . F V and from £21/2 —— 0 and Green formula A (E E ) /(E—E)a—de 29PML h? Pj h Buj 1 Hence which completes the proof. El Lemma 2.5.3. ([22]) For any 1b E X2(§2), let {b be extended to D as before. Then the following estimate holds: —1RQJ'V <0. ,, ":12 2516 H5 6 ¢||L2(QPML)_ 23||LIIIH1(Q), J 3° (-- ) .7 We are now ready to prove Theorem 2.5.2. 45 Proof. Proof of Theorem 2.5.2 From the definition, 82093 -— Eh, w) = [Um—w — was: — ~420(Eh,2/1 — 1%) + / (T21 — TilMLlPh’chl I‘1 + fr (T22 — T2IEML)Eh1/3d$1 2 thaE, 8H 8H - + p' f(— ‘ -—-—-)t/de j, €12 fl 9 6333' ‘9‘”! 3333' 0951 =III+IV+V+VI+VII. By integration by parts and using (2.5.3)-(2.5.10), III+IV= Z (AR2T(2/J-1/)h)d$+ Z éLJ2€(Ib—I/Jh)da§). Tth eCBT Using the interpolation estimate in [51] and Lemma 2.5.3, we get II” + IVI S 0 Z U2T||p§1V¢IIL2 T E Mh l 5 00+ 021+ 022x 2 n3T>2H¢nH1m> T E Mh (T) It follows from Lemma 2.4.2 and Lemma 2.4.3 that v VI< CM E C'M E " . I + |_( 21“ hl|L2(I‘1)+ 22” hHL2(I‘2))”P”H1(Q) By an argument similar to that used in the proof of Theorem 2.4.1, we conclude that 31%,, 31%,, 8H 6H _ IVIII =| Z p-l f < — —)¢d:r| 3.712172 J Q 6173' 31:1 322]“ 8271 s C(IIHII H1 + a 0 [co —-> 00 k0 -—> 0 vacuum. In the following, we assume that the material 18 nonmagnetic, i.e., :“0 = 1. The scatterer is illuminated by a one-parameter family of plane waves ui = eiko ' 5. (3.1.3) Evidently, such incident waves satisfy the homogeneous equation Aui + k311i 2 0. The total electric field 11 consists of the incident field iii and the scattered field as: u = ui + as. It follows from the equations (3.1.1) and (3.1.3) that the scattered field satisfies Ans + k2(:1:)(1+ (1)118 = (—k2(:1:)(1 + q) + 13m (3.1.4) In free space, the scattered field is required to satisfy the following Sommerfeld radiation condition 011 r l-lanO\/:(—é—7: —ik0u 8) =0, r=|:1:|, uniformly along all directions—— .In practice, it is convenient to reduce the problem to a bounded domain. For the sake of simplicity, we employ the first order absorbing 53 boundary condition [36] on the surface of the breast: flu: — ikous = 0. (31-5) Given the incident field iii, the direct problem is to determine the scattered field as for the known scatterer q(k0,:z:). Using the Lax-Milgram lemma and the Hedholm alternative, the direct problem is shown in [16] to have a unique solution for all k0 > 0. An energy estimate for the scattered field is given in this paper, which provides a criterion for the weak scattering. Furthermore, properties on the continuity and the Fréchet differentiability of the nonlinear scattering map are ex- amined. For the regularity analysis of the scattering map in an open domain, the reader is referred to [9], [39] and [26]. The inverse medium scattering problem is to determine the scatterer q(k0,;1:) from the measurements on the surface of the breast, aslpb, given the incident field ui. Two major difficulties for solving the inverse problem by optimization methods are the ill-posedness and the presence of many local minima. In this paper we developed a continuation method based on the approach introduced in [16]. The algorithm requires multi-frequency scattering data. Using an initial guess from the Born approximation, each update is obtained via recursive linearization on the wavenumber k0 by solving one forward problem and one adjoint problem of the Helmholtz equations. In addition to the ill-posedness and nonlinearity of the inverse scattering prob- lem, one major difficulty lies in the multiple scales of the problem. The tumor is comparably small in the computational domain, which makes the computation chal- lenging. The strategy is to map the boundary data to the artificial boundary of a fairly small domain that encloses the tumor. The idea of mapping follows from [55]. The problem may be then reduced to a smaller domain which can be solved by finite element method. Suitable boundary conditions and jump conditions must then be added on the boundary of the smaller domain and the surface of the breast. Nystro'm Figure 3.1. Geometry of the inverse scattering problem method is used on the integral equation in the annulus region between the surface and the smaller domain. Another difficulty is due to the dispersive nature of the human body. We employed the simplified Debye model: .0803) etkow) = estx) _. 1.0 «26’ which is the approximation when the frequency is below the range of the Debye model. The Debye model (3.1.2) is suitable for dielectrics exhibiting resonance effects at the frequency 1011 ~ 1012Hz. The frequency used in our experiments range from 109 ~ 1010Hz. With this model, the reconstruction of q can be done separately for the real and imaginary part. The plan of this paper is as follows. The analysis of the variational problem for direct scattering is presented in Section 3.2. The Fréchet differentiability of the scattering map is also given. In Section 3.3, an initial guess of the reconstruction from the Born approximation is derived in the case of weak scattering. Section 3.4 is devoted to numerical study of a regularized iterative linearization algorithm. Numerical examples are presented in Section 3.5. 55 Figure 3.2. Dielectric properties at frequencies described by Debye model [42] " 3.2 Analysis of the Scattering Map In this section, the direct scattering problem is studied to provide some criterion for the weak scattering, which plays an important role in the inversion method. The F réchet differentiability of the scattering map for the problem (3.1.4), (3.1.5) is examined. To state our boundary value problem, we introduce the bilinear form a : H1(Qb) >< H1(Qb) .3 cc 3(3, 21) = (W, W) — 12((1 + (1115.11) 41113.11), and the linear functional on H1(Qb) , __ ”2 ,2 i 1 b0?) — ((1. (1+ (1) - 1.0)11 .112)- Here, we have used the standard inner products (MT/93PM and <¢,1>>=/Fb¢-Eds. where the overline denotes the complex conjugate. 56 Then, we have the weak form of the boundary value problem (3.1.4) and (3.1.5): find us E H1(Qb) such that u(u3,g) = 1(5), vs 6 H1(nb). (3.2.1) Throughout the paper, the constant C stands for a positive generic constant whose value may change step by step, but should always be clear from the contexts. For a given scatterer q and an incident field ui, we define the map S (q,ui) by us = S(q,ui), where us is the solution of the problem (3.1.4) and (3.1.5) or the variational problem (3.2.1). It is easily seen that the map S (q, uz) is linear with respect to ui but is nonlinear with respect to q. Hence, we may denote S (q, uz) by S (q)uz Concerning the map S (q), a continuity result for the map S (q) is presented in Lemma 3.2.3. Lemma 3.2.1. Given the scatterer q E LOO(Qb), the direct scattering prob- lem (3.1.4) and (3.1.5) has at most one solution. Please see [16] for the proof. Lemma 3.2.2. If the wavenumber k0 is suficiently small, the variational prob- lem (3.2.1) admits a unique weak solution in H1(Qb) and S (q) is a bounded linear map from L2(Qb) to H1(Qb). Furthermore, there is a constant C dependent of 9b, such that k2—1172 k2 2' 1 2' ||S(q)u ”(116211) _ T + 130 + EBWQHLOOWbVHU ||L2mb>~ (3-2-2) Proof. Decompose the bilinear form a into a = a1 + k2a2, where Quasi) = (Vu8,V€) - ik0, agate = —<<1 + auto. 57 We conclude that al is coercive from ,s s us2 u Ialtu,u11_>.0111v ”21:11.1”0” 3211 1/21 $1 2 s 2 2 Cko(|qu3|l +1111 11 1 21111.1 III/2111.1 2 2 0101121511 . H 1(91)) where the last inequality may be obtained by applying standard elliptic esti- mates [34]. Next, we prove the compactness of a2. Define an operator .A : L2(Qb) —> H1015) by 6116411316) = agate, vg e 11119,), which gives (17.4113, vg) — 110(211132) = —((1 + q)u3,g), vg e H1(Qb). Using the Lax—Milgram Lemma, it follows that 113411511011” S||L2 (32-3) 1111111,< 1 - 11—0 1.2111151 where the constant C is independent of k0. Thus A is bounded from L2(Qb) to H1(Qb) and H1(Qb) is compactly imbedded into L2(Qb). Hence A : L2(Qb) -—> L2(Qb) is a compact Operator. Define a function 45 E L2(Qb) by requiring (15 E H1(Qb) and satisfying 01015.6): 11151. vs 6 H1191). It follows from the Lax—Milgrarn Lemma again that “P - k8| 11:12 1911 1 :01 1.0 + [011+ 1$11q11Loomw111u11Lg 1.21,) (32.41 H (12b) Using the operator A, we can see that the problem (3.2.1) is equivalent to find us E L2(Qb) such that (I + 12/0118 = a. (3.2.5) 58 When the wavenumber k0 is small enough, the operator T + k2A has a uniformly bounded inverse. We then have the estimate 3 011111,; (32.61 llu ”12(le (9b), where the constant C is independent of k0. Rearranging (3.2.5), we have us = d) — kgAus, so as E H1(Qb) and, by the estimate (3.2.3) for the operator A, we have 112131 ”£12131 2 . k0 L (9b) < -11111H19 )+C ( b The proof is complete by combining the estimates (3.2.6) and (3.2.4) and observing H1 (91)) that as = S(q)uz. E] For a general wavenumber k0 > 0, from the equation (3.2.5), the existence follows from the Fredholm alternative and the uniqueness result. However, the constant C in the estimate (3.2.2) depends on the wavenumber. Remark 3.2.1. It follows from the explicit form of the incident field (3.1.3) and the estimate (3.2.2) that llusll Hlmb) 5 1011/2101 + 0211q11Lm(Qb)1, where Q is the compact support of the scatterer q and the constant C1, C2 depends on 130, 90' Lemma 3.2.3. Assume that q1,qQ E LOO(Qb). Then s 2'—s Vi <0 — 1' , 3.2.7 h th ' t tC d d kt ,Q , d . u1 ere e cons an epen s on 0 b an [[qQIILoo(Qb) Proof. Let vii = S(q1)ui and 11.23 = S(q2)ui. It follows that for j = 1, 2 All; + kt2(1+ qflui = (—k2(1 + (1]) + haul. 59 By setting to = u‘i — ug, we have Aw + k2(1+ q1)'w = —k2(q1 — q2)(ui + 113). The function 111 also satisfies the boundary condition (3.1.5). We repeat the procedure in the proof of Lemma 3.2.2 to obtain .. (C _ i S . 11w11H1(9b)_ 1111 quILoo(Qb)11u+u211L2mb) Using Lemma 3.2.2 again for u; yields us < C ui , which gives 115311116 — S1< is the adjoint operator of A. ‘10 is used as the starting point of the following recursive linearization algorithm. 3.3.2 Recursive Linearization As discussed in the previous section, when the wavenumber is small, the Born ap- proximation allows a reconstruction of those Fourier modes less than or equal to k0 + |ka for the function q(:1:). We now describe a procedure that recursively de- termines ko at k0 = kj for j = 1, 2, with the increasing wavenumbers. Suppose now that the scatterer q]; has been recovered at some wavenumber It, and that the wavenumber k is slightly larger than 12‘. We wish to determine qk, or equivalently, to determine the perturbation 6q = qk - (1)}. For the reconstructed scatterer qk, we solve at the wavenumber k the forward scattering problem Ait+kg(l+qi~c(k,a:))fl=0 in ob, A30 + 33110 = 0 in no, 112'1102118+'ui oan, 05 338 011i _ = _ _ p (9n PM 871 + (9n) on b’ 011-9 -- -3 For the scatterer qk, we have Au + kg(1+ qk(k,:1:))u = 0 in Qb, 66 AuO + kguo = 0 in 901 u=u0=u8+ul oan, au. 3113 3111' _ = _ __ p on €b( on + an) O“ b’ , S 95%— — 611063 = 0 on rb. (3.3.10) Subtracting (3.3.9) from (3.3.10) and omitting the second-order smallness in 6q and in 6a 2 u — a, we obtain A611 + 1%(1 + q]; (k, 2))611 = 4636115 in ob, A6110 + 336110 = 0 in no, 6u = 6110 = 6us on I‘b, @ — 6 661‘s on I‘ an ' b on b’ S as: — ikodus = 0 on Pb. (3.3.11) Z For the scatterer qk and the incident wave u , we define the map S (qk, uz) by S(qk,ui) = uO, 0 where u is the total field data corresponding to the incident wave ui. Let 'y be the trace operator to the boundary Pb. Define the scattering map 111611-1112) = 130113.111)- For simplicity, denote [M(qk, at) by M (qk). By the definition of the trace Operator, we have M(qk) = 1.01%. Let D111 (qk) be the Fréchet derivative of Aflqk) and denote the residual operator by 11(1),?) = 601% — 1301135 67 It follows from Theorem 3.2.13 that DA/I(ql~é)6q = R(q]~€). (3.3.12) In order to reduce the computation cost and instability, we consider the Landweber iteration of (3.3.12), which has the form 6q = 61911155131521, (3.3.131 where [3 is a relaxation parameter and DM*(q]~c) is the adjoint operator of DM (91;) In order to compute the correction 6g, we need some efficient way to compute DM*(q}~€)R(ql;), which is given by the following theorem. Theorem 3.3.1. Given residual H(qh)’ there exists a function gt) such that the adjoint Fréchet derivative DM*(q]~€) satisfies =1- : — 1 [DM ((1,2)Rj(qié)l($) — “(131452? (33-14) where a. is the solution of (3.3.9). Proof. Let a be the solution of (3.3.9). Consider the following problem A611 + 163(1 + qEUc, 22))611 = —k§6qa in 11b, (3.3.15) A6110 + 336110 = 0 in 90, (5v 2 6u0 = 6u3 on Pb, 86u _ 86115 n F 3n _ 6b 8n 0 b’ s 83:: — ikoéus = 0 on Pb. and the adjoint problem Aw + 1613(1 + (jicUc, 113))1b = 0 in Qb, 21110 + 331110 = 0 in 110, 1’10 _ 95n— + 610610 = ( 0 — 210)}:g. on rb. (3.3.16) 68 Since the existence and uniqueness of the weak solution for the ad joint problem may be established by following the same proof of Lemma 3.2.2, we omit the proof here. Multiplying the equation (3.3.15) with the complex conjugate of 1b and integrat- ing over 9b on both sides, we obtain _ 2 T 2 ~ _. Adar/1dr +/ k 1+ q~ (Suwda: 2/ —k (Squibdr. job 11,, b( k) 11,, b Integration by parts yields —(95u 31b 2/ ~— ——6 s=—k 5 . d . /b(wan ua—n)dS b Qb quw 33 It follows from (3.3.12) and the boundary conditions of (3.3.15) and the adjoint problem that f (110 — 30)k§eb6uds = kg / 61153112, Pb 11 DM q~ 6 Rq~ e ds=/ bquibdr. /Pb (pg (k1,, Q We know from the adjoint operator D111 * (th that (5 e D111 ~ R q~ ds=/ 6qfl.1,bd:c. [0be (qk11k1 9 Since it holds for any bq and since q has compact support in {2, we have 1 ~ _ DM*(q;.)R(031 n = _N (HTL )'(k07‘1"b) + ZHn (horrb) As for the adjoint problem, the continuity conditions are: Opp + G,((—“u — (1)113) = Gmxp — Ema—11 — mg) on r, Gmpr + Gm((u — 61133) = 061111) — Ce((_u — mg) on rb, where the data on the artificial boundary F can be obtained from the data on Pb by a least square method introduced in [55]. 3.5 Numerical Experiments In the following, to illustrate the performance of the algorithm, two numerical ex- amples are presented for reconstructing the scatterer of the Helmholtz equation in two dimensions. Assume the dielectric constants Etumor(k01 as) = 54 —i2'6,:)714 and EnormalUCO’I) = 16.29 — iw (see [27]). Example 1. Define 0 1112 (M — peep-00025? 11:1 < 0.0025 in 11, (1050133) = 6normal 0 elsewhere in Q. See Figure 3.4 and 3.5 for the surface plot of the real and imaginary part of scatterer function in the domain [1‘] < 0.003. Figure 3.8 and 3.9 are the final reconstructions using the wavenumber k0 = 7.1, which has relative error 6%. Figure 3.6 and 3.7 shows the result of the Born approximation. 72 Figure 3.4. Real part of smooth scatterer function x0.01 - x0.01 Example 2. [31] Assume the diameter of the breast is 10cm and a. 6—mm—diameter tumor is located in the center. Ctumor _ 1 $2 + 332 g 0.0032 in 91 q(k0, :r) = 6normal 1 0 elsewhere in 9. See Figure 3.10 and 3.11 for the surface plot of the real and imaginary part Of scatterer function in the domain 9 = {as : 35% + 33% 3 0.0062}. Figure 3.14 and 3.15 are the final reconstructions using the wavenumber k0 = 6.1, which has relative error 26.66%. Figure 3.12 and 3.13 shows the result of the Born approximation. It is easily seen that this scatterer is difficult to reconstruct because of the discontinuity. 73 Figure 3.5. Imaginary part of smooth scatterer function X001 '0-4 ‘04 Figure 3.6. Born Approximation of the real part of smooth scatterer function x0.01 ’04 ‘0-4 x0.01 74 Figure 3.7. Born Approximation of the imaginary part of smooth scatterer function ~04 —0.4 x0.01 x0.01 Figure 3.8. Final construction of the real part Of smooth scatterer function x0.01 -0.4 —o_4 x0.01 75 Figure 3.9. Final construction of the imaginary part of smooth scatterer function "‘14 -0.4 x0.01 110.01 Figure 3.10. Real part of piecewise scatterer function x001 '1 ‘0-3 x0.01 76 Figure 3.11. Imaginary part of piecewise scatterer function 3\ ‘1 -0.8 10.01 x001 Figure 3.12. Born Approximation of the real part of piecewise scatterer function x001 ’1 '03 x0.01 77 Figure 3.13. Born Approximation of the imaginary part of piecewise scatterer func- tion 3\ 2.5\ x0.01 '1 ‘03 x001 Figure 3.14. Final construction of the real part of piecewise scatterer function ‘1 -0.B x0.01 x001 Figure 3.15. 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