PhysicsLetters A 173 (1993) 172-178 North-Holland PHYSICS LETTERS A Localized modes in a chain with nonlinear on-site potential Yuri S. K i v s h a r 1 Institut fiir Theoretische Physik I, Heinrich-Heine- UniversitiitDiisseldorf, W-4000 Dfisseldorf 1, Germany Received 7 October 1992;revised manuscript received 30 November 1992;acceptedfor publication 30 November 1992 Communicatedby L.J. Sham Localizedmodesare analysedfor a chain with nonlinear on-site potential usingan approximationbased on the discrete nonlinear Schr0dingerequation. It is pointed out that such localized modes exist in the parameter domains where the systemdisplays modulational instability. Otherwise, nonlinear modes may appear in the form of dark-profile localized structures, and two types of such structures are found. The decaytime of stronglylocalizednonlinear modesis also estimated. 1. Introduction As is well known, spatially localized modes can exist in a linear lattice if they are supported by impurities [ 1 ]. The localized mode has a maximum at the impurity site and it decreases exponentially as a function of the distance from the impurity. Similar localized modes may be also found for strongly anharmonic (but perfect) lattices in the form of the socalled intrinsic localized modes [ 2 ], in the latter case the energy localization, which involves only a few particles of the chain, is possible due to nonlinearity itself. Different properties of the intrinsic localized modes have been discussed in a number of papers (see, e.g. refs. [3-13] ) for one- and three-dimensional cases. The original model for the intrinsic localized mode [ 2 ] is a chain with anharmonic interatomic interaction, the so-called Fermi-Pasta-Ulam ( F P U ) model. It describes a one-dimensional lattice in which each atom interacts only with its nearest neighbors via a symmetric nonlinear potential. The localized pattern is u , ( t ) =A(..., 0, -- ½, 1, - ½, 0 .... ) cos tot, where k2 and k4 are the nearest-neighbor harmonic and quartic anharmonic force constants, and A is the On leave from: Institute for Low Temperature Physics and Engineering, 310164Kharkov, Ukraine. ] 72 mode amplitude. The approximation is better for large values of (k4/k2)A 2. Some authors [ 4,7 ] have proposed another variant of a stationary self-localized mode, the so-called even-parity localized mode, which has been found to be extremely stable. Another type of intrinsic localized modes may be analysed for a model with nonlinearity introduced through an on-site potential. The case of the quartic on-site potential has been discussed in ref. [ 3 ], where highly localized modes with the frequencies below the frequency gap of the linear spectrum have been briefly discussed. However, the linear spectrum of a discrete chain always has an upper (cut-off) frequency, so that one may naturally expect to find localized modes with the frequencies above the cut-off frequency similar to the odd-parity modes in the FPU chain. The physically important problem related to these localized nonlinear modes is to prove that they are long-lived excitations which may contribute to many properties of nonlinear discrete systems. Another important problem is created by a comparison between nonlinear modes in discrete and continuous models. As has been recently mentioned, the intrinsic localized modes described by Sievers and Takeno may be easily understood as a highly localized (discrete) version of the well-known envelope solitons of the continuous nonlinear Schr6dinger (NLS) equation [8,9]. Such kind of localized modes appear for the case of the self-focusing nonlinearity in the NLS equation. Nevertheless, soliton solutions 0375-9601/93/$ 06.00 © 1993ElsevierSciencePublishers B.V. All fightsreserved. Volume 173,number 2 1 February 1993 PHYSICSLETTERSA are also possible for the other case, i.e. for defocusing nonlinearity, and they appear as dips in the stable constant-wave (cw) background [ 14] (that is why they are called "dark" solitons). It is clear that the corresponding localized structures may also be possible in discrete chains when spatially localized modes do not exist. It is the purpose of this paper to answer the questions above taking a simple (but rather general for various applications) model where nonlinearity is introduced through a cubic and quartic on-site potential. The paper is organized as follows. In section 2 we present our model which describes a chain of particles subjected to a cubic and quartic nonlinear onsite potential. As is shown, this model may be reduced to the discrete NLS equation in the case when coupling between the particles in the chain is small. Section 3 is devoted to the spatially localized nonlinear modes of the chain. Small-amplitude modulations of a nonlinear wave in the discrete chain are investigated to show that spatially localized modes exist in the parameter domains where the system displays modulational instability. The lifetime of strongly localized nonlinear modes is also estimated analytically. In section 4 we obtain dark-profile localized structures which may be considered as a highly discrete version of the well-known dark solitons. We present two types of such nonlinear structures, the so-called "cut-off" and "noncut-off" kinks. Section 5 concludes the paper. of the potential. Linear oscillations of the chain of frequency co and wavenumber q are described by the dispersion relation co2=coo2+ 4 D sin2(½qa) , (2) a being the lattice spacing. As shown by eq. (2), the linear spectrum has a gap coo and it is limited by the cut-off frequency comax=(co2+4D) 1/2 due to discreteness. Analysing slow temporal variations of the wave envelope, we try to keep the discreteness of the primary model completely. In fact, this is possible only under the condition o) 2 >> D, i.e. when the coupling force between the particles is weak. Looking for a solution in the form un =0n + ~n exp(-icoot) + ¥~*exp (ico0t) + ~n exp( - 2icoot) + ~*~exp(2icoot) +..., (3) we will assume the following relations (similar to the continuum case, see, e.g. ref. [15 ] ), #n ~ ¢2, ~ ~ ¢2, ~ ~ ¢, and also the following relations between the model parameters, D ~ 2, 0)2 ,., 1, ~, fl,-, 1, d/dt~¢ 2. It is clear that this choice of parameters corresponds to large values of to 2 (we may simply deride all the terms by the frequency gap value). Substituting eq. (3) into eq. ( 1 ) and keeping only the lowest order terms in ¢, we obtain the equation for ¥., 2icoo~/~ + D ( ~ + 1 +~n-1 - 2~/n) - 2a(~n ~ + ~*~n) - 3ill ~n 12~n = 0 , (4) and two algebraic relations for 0. and ~n, 2. Model and the discrete NLS equation 2ct ~ . ~ - co-~ i~/~ We consider the dynamics of a one-dimensional chain made of atoms with unit mass, harmonically coupled with their neighbors, and subjected to a nonlinear cubic and quartic on-site potential. Denoting by u,(t) the displacement of atom n, its equation of motion is 12 where D is the coupling constant, coo the frequency of small amplitude on-site vibrations in the substrate potential, a and p are the anharmonicity parameters 2 (5) The results (4) and (5) are generalizations of the well-known results for the continuum case [ 15]. Thus, the final discrete NLS equation is igtn +K(gtn+~ + ¥ n _ 1 - 2 ~ n ) +AI ~. 12~. = 0 , (6) where fi-D(un+~ +un_~ - 2 u . ) +co~u~+au~ + flu~ =0, (1) a , ~.~ 3co-~oo~,.. K=D/2~, 2= ~ l (10a2/3COo2-3/~). (7) Equation (6) is used below to analyse different types of localized modes in the chain. We would like to point out again that the assumption of slow variation 173 Volume 173,number 2 1 February 1993 PHYSICS LETTERS A of the envelopes in time, as well as the neglecting of higher-order harmonics to derive (6), assume that the gap frequency 090 is large with respect to the other frequencies in the system, i.e. o902>> 4D, and to 2 >> OtUo, flu02, Uo being the wave amplitude. The first condition is valid in a weakly dispersive system where mo is close to ogma~,while the second one means that the nonlinearity is not large. These are the usual conditions to get the NLS equation, but in the lattice, the condition o92 >> 4D means also that discreteness effects are considered strong pointing out the interest in the discrete modes localized on a few particles. 3. Spatially localized nonlinear modes [ t 2 - 2 K s i n ( Q a ) sin(qa) ]2 = 4 K sin2(½Qa) cos (qa) × [4Ksin2(½Qa) cos (qa)-22q/2 ] for the wavenumber Q and frequency 12 of the linear modulation waves. In the long wavelength limit, when Qa << 1 and qa << 1, eq. (10) reduces to the usual expression obtained for the continuous NLS equation [ 16 ]. Equation (10) determines the condition for the stability of a plane wave with wavenumber q in the lattice. Contrary to what would be found in the continuum limit, the stability depends on q. An instability region appears only if 2 cos(qa) > 0 . 3.1. Modulational instability As is well known, nonlinear physical systems may exhibit an instability that leads to a self-induced modulation of the steady state as a result of an interplay between nonlinear and dispersive effects. This phenomenon, referred to as modulational instability, has been studied in continuum models (see, e.g., refs. [ 16-19] ) and, only recently, in a discrete model [ 20 ]. As has been pointed out, modulational instability is responsible for energy localization and formation of localized pulses. For the NLS equation (6), derived in the single frequency approximation, modulational instability in the lattice can be easily analyzed. Equation (6) has an exact cw solution ~u.( t ) = ~¢oexp (iO.), O.=qan-ogt, (8) where the frequency to obeys the nonlinear dispersion relation (11) For positive 2 and a given q, e.g. q< n/2a, a plane wave will be unstable to modulations in all this region provided ~/~ > 2K/2. 3.2. Structure of localized modes One of the main effects of modulational instability is the creation of localized pulses (see, e.g., ref. [21 ] ). For the model under consideration it means that for 2> 0 the small q region is unstable, and, therefore, nonlinearity can induce the formation of localized modes in the gap of the linear spectrum (o92< o92). Such a localized mode can be obtained directly from the discrete NLS equation (6) following the method of ref. [4]. We seek highly localized odd-parity solutions to the NLS equation (6) in the form ~/n(t)=Aexp(iOt)fn, where we take f o = l , f_n=f~ assuming [f~ I <<f~ for [n I > 1. Two equations at n = 0 and n = 1 then yield ~/n(t)=Aexp(it2t)(...,O,~l, 1, r/, 0, ...), og= 4K sin 2( ½qa ) - 2gt2 . (9) The linear stability of the wave (8), (9) can be investigated by looking for a solution of the form ~/n(t) = (~Uo+bn) exp(i0~ + i z ~ ) , where b , = b , ( t ) and X,=X,(t) are assumed to be small in comparison with the parameters of the cartier wave. In the linear approximation two coupled equations for these functions yield the dispersion relation 174 (10) (12) where the values inside parentheses are the amplitudes at successive sites, and ~r~= -- ~ 4 2, r/=g/~a2<< 1 . (13) The mode (12), (13) is indeed highly localized provided K < < , ~ 4 2 (see fig. la). For 2>0, such nonlinear modes cannot exist for O92>o92m~,, because, according to eq. (10), a cw solution at these frequencies is stable. In the case when 2 = - 1 2 l < 0, the result of the Volume 173, number 2 (a) ,!, (b) iT 3.3. Lifetime of localized modes i Fig. 1. Diagrammatic representation of the spatially localized nonlinear modes in the chain with nonlinear on-site potential: (a) low-frequency mode, (b) high-frequency mode. modulational instability analysis is just reverse: The small q region is stable whereas modulational instability occurs for q> n/2a (see eq. ( 11 ) ). As a result, the localized modes (12) do not exist, but instead, the possible spatially localized structure is (see fig. lb) ~n(t)=Aexp(ig2t)( .... 0, 1 February 1993 PHYSICS LE'VrERS A -r/, 1, -r/, 0,...), (14) where ~I=K/I21A 2 is assumed to be small, and t 2 = 4 K + I21A 2 lies above the cut-off frequency. It is interesting to compare the results obtained for model (6) with those of the exactly integrable discrete Ablowitz-Ladik equation [22] (cf. eq. ( 6 ) ) , i~,, + K(¥~+ ~+ ~,,_ ~- 2~,) +21 ~', 12(q/,+~ + ~ _ ~ ) = 0 . (15) Models (6) and (15) have the same linear properties and lead to the same NLS equation in the continuum limit provided 2 ' = ½2, however their nonlinear properties are very different. For model (15), the dispersion relation for modulations is [ t 2 - 2 (K+R~u2) sin(Qa) sin(qa)]2 = 16 (K+2~/2) sin2(½Qa) cos2(qa) x [ (K+2g/2) sin2 (½Qa) - 2 ~ 2 ] instead of eq. (10). Therefore, for this model, the modulational instability does not depend on q, as for the continuum NLS equation. For Q<Q* determined by sin2(½Q*a)=2¥2/(K+2~/2), all the carrier waves are unstable, while for Q > Q* they are stable. As a consequence, for a fixed positive value of 2, the Ablowitz-Ladik model (15) can have simultaneously two types of nonlinear modes localized either above or below the linear spectrum band [ 20 ]. The nonlinear modes (12), (14) are strongly localized excitations, so that most of the energy is concentrated on a central particle. Let us consider lowfrequency modes (12) for definiteness. According to the results presented above, for such a mode the amplitude of the particle at site n = 0 is large, but its frequency is small, o9~ o9o-AA 2 << 09o. Other particles, i.e. those for n ~ 0, are at rest or they oscillate with small amplitudes corresponding to the gap frequency o90. It means that the excitation of the neighboring particles by the particle at site n = 0 is nonresonant and the energy transfer from it to other particles of the chain is small. Nevertheless, for the full equation ( 1 ) the localized modes ( 12 ) or (14) are not exact stationary solutions, and a part of the energy is emitted during each period of the mode oscillations. To estimate the energy lost per one oscillation period, we note that for the particles with the numbers n = + 1 in the case of a strongly localized mode the following equation is valid, iil +o92ul ~DUO, (16) where the right-hand side plays the role of an external force, F ( t ) = Duo (t). The energy AE transmitted by this force to an oscillator per period may be calculated as T 2 AE= ½1!F(t) exp(iogot)[ that yields the estimate A E ~ (TDA)2~D2/2. Because the total energy of an anharmonic lowfrequency oscillation at site n = 0 may be estimated as E~o9~/22, finally we arrive at the estimate AE/E~ (D/o9o2)2<< 1 . (17) The result (17) means that the localized nonlinear mode (12) excited in the chain (1) decays exponentially slowly into radiation, i.e. it is indeed a longlived excitation of the anharmonic lattice. 4. Dark-profile localized structures As is well known, eq. (6) in the continuum limit has two different kinds of soliton solutions, bright 175 Volume 173, n u m b e r 2 PHYSICS LETTERS A 1 February 1993 and dark ones. The bright solitons are similar to the spatially localized modes discussed above, whereas up to now localized structures which are similar to dark solitons have not been discussed yet. It is the purpose of this section to present two types of these structures in the lattice. First, we note that for positive 2, the cw solution is stable only for q> ½n, so that dark-profile structures are possible, for example, near the cut-off frequency tOm= 4K. Substituting (a) ~/, = ( - 1 ) " ~ ( x , t) exp (itomt) into eq. (6), where the slowly varying envelope ~ i s found to be a solution of the continuous NLS equation, it is easy to obtain the dark soliton solution in the continuum approximation, ~u, = ( - 1 )".4 tanh(Ax) exp( - i / 2 t ) , (18) w h e r e / 2 = 4 K - 2 A 2, and x = nav/K is considered as continuous variable. Looking now for the similar structures in the discrete NLS equation (6), we find that they are possible, for example, in the form ~/, =A e x p ( - i / 2 t ) × ( .... 1, - 1, l, - ~ 1 , 0 , ~,, - 1, 1,...), (19) where/2 = 4 K - 2A 2, and ~1 = 1 - - A t , A 1=K/,;L42<< 1 . (20) The structure (19) is a solution of the NLS equation with better accuracy for smaller A~, and it is a kinklike excitation with the width localized on a few particles in the lattice (see fig. 2a). Because the frequency/2 coincides with the cut-off frequency of the nonlinear spectrum, we call these solutions "cut-off" kinks. Another type of dark-profile nonlinear localized structures which may be also described analytically in continuum as well as discrete models, is realized in the case when the mode frequency is just at the middle of the spectrum band, i.e. the wavenumber is equal to n/2a. In this case we may separate the particles in the chain into two groups, odd and even ones, and describe their dynamics separately, introducing new variables, i.e. ¥ , = v . , for n=2k, and ~ . = w., for n = 2 k + 1. The main idea of such an approach is to use the continuum approximation for 176 Fig. 2. Dark-profde localized structures: "cut-off" (a) and "noncut-off'' (b) kinks. two envelopes, v, and w, (see ref. [23] ). Looking now for solutions in the vicinity of the point q = n/2a, we may use the following ansatz, V2k = ( -- 1 )kV( 2k, t) exp( - i t o l t ) , to2k+l=(--1)kw(2k+l,t)exp(--itolt), (21) where col = 2K is the frequency of the wavelength-four linear mode, assuming that the functions V(2k, t) and W ( 2 k + 1, t) are slowly varying in space. Substituting eqs. (21 ) into eq. (6), we finally get the system of two coupled equations, i O-z7 V, + 2aKO-z--W+2[ VI2V=0, ot (22 ) ox OW OV i-~-{ - 2aK-~x +21W[2W=O (23) where the variable x is treated as continuous. Analysing localized structures, we look for stationary solutions of eqs. (22), (23) in the form ( V, W)oc (f~,f2) exp(i/2/), (24) assuming, for simplicity, the functionsf~ and f2 to he real. Then, the stationary solutions of eqs. (22) and (23) are described by the system of two ordinary differential equations of the first order, dfl = _/2f2 + 2 f 23, dz (25) dA =/2f~ - 2 f 3 , (26) dz Volume 173, number 2 PHYSICS LETTERS A where z = x / 2 a K . Equations (25), (26) represent the dynamics of a Hamiltonian system with one degree of freedom and the conserved energy, E = - ½~tf~ + f D + ~ t f 4+ f D , and they may be easily integrated with the help of the auxiliary function g=f~/f2, for which the following equation is valid ( d g / d z ) 2 = t o 2 f f 2 2 ( l + g 2 ) 2 + 4 , ~ F , ( l + g 4) . (27) Different kinds of solutions of eq. (27) may be characterized by different values of the energy E [23]. On the phase plane (f~, f2) soliton solutions correspond to the separatrix curves connecting a pair of neighboring saddle points (0, fo), (0, -fo), (fo, 0), or ( -fo, 0), where f 2 = ~2/2. Calculating the value of E for these separatrix solutions, E = - ~ 2 / 4 ~ . , it is possible to integrate eq. (27) in elementary functions and to find the soliton solutions, g ( z ) = exp( _+x / ~ 2 z ) . f22 = (28) exp( -T-x/-2g2z) [2 cosh (x/~g2z) + x/~] 2;t cosh (2x/~2z) ' fl =gf2. 5. Conclusions In conclusion, nonlinear localized modes have been investigated analytically for the case of a chain where nonlinearity is introduced through an on-site potential. Under special conditions, the model has been shown to be described by a discrete nonlinear SchrSdinger equation. The existence of spatially localized modes in the discrete model is consistent with the results of the modulational instability analysis for the discrete NLS equation. In the case when modulational instability does not occur, the localized modes may appear in the form of dark-profile nonlinear structures, a discrete analog of dark solitons. The decay time of spatially localized modes in a chain with nonlinear on-site potential has been calculated to be exponentially small provided coupling between the particles in the chain is described by a small parameter. Therefore, in spite of the fact that the primary model is not exactly integrable, such localized modes are long-lived objects which can make important contribution to dynamical and statistical properties of nonlinear discrete chains. (29) The solutions (28), (29), but for negative £2, exist also for a defocusing nonlinearity when A< 0. The results (28), (29) together with (24) and (21 ) give the shapes of the localized structures in the discrete nonlinear lattice. The whole localized structure represents two kinks in the odd and even oscillating modes which are composed to have opposite polarities (see the envelopes in fig. 2b). Highly localized nonlinear structures in the lattice corresponding to the solutions (28), (29) may be also found and one of these structures has the following form ¥,, =A exp(-ig2t) X (..., l, O, - 1 , O, ~2, ~2, 0, - 1 , O, 1.... ) , 1 February 1993 (30) where £2=2K-AA 2 is the frequency at the middle of the nonlinear spectrum, and ~2=1-A2, A2= K/22A 2 << 1 (see the whole structure in fig. 2b). The approximation is better for small values of the parameter d2. Acknowledgement Discussions with M. Peyrard, K.H. Spatschek, and S. Takeno are gratefully acknowledged. The author thanks the Institut f'tir Theoretische Physik I for hospitality. This work has been supported by the Alexander yon Humboldt-Stiftung through a research fellowship. References [ 1 ] A.A. Maradudin, Theoretical and experimental aspects of the effects of point defects and disorder on the vibrations of crystals (Academic Press, New York, 1966). [ 2 ] A.J. Sievers and S. Takeno, Phys. Rev. Lett. 61 ( 1988 ) 970. [3] S. 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