Abstract
We make use of two Laguerre collocation techniques as a way to illustrate, deepen or extend some analytic results of existence, uniqueness and asymptotic behavior concerning the solutions to second and third orders nonlinear boundary value problems on the half line. We point out some particular features of solutions, e.g. boundary layers, which have not been noticed by theoretical studies and accurately resolve some analytic singularities. With respect to some challenging BVPs from engineering, we show that not absolutely all the analytic results are validated numerically. The free parameter, i.e., the scaling factor, involved in the Laguerre weight function is adjusted in order to ensure the most efficient convergence of the Newton type algorithms.
Authors
Tiberiu Popoviciu Institute of Numerical Analysis
Keywords
Laguerre collocation, scaling, nonlinear equations, unbounded domain, analytic results, singularities, Kidder equation
References
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Paper coordinates
C.I. Gheorghiu, Laguerre collocation solutions vs. analytic results for singular semilinear BVPs on the half line, ROMAI J., 11 (2015), pp. 69-87
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[8] T. Benacchio, L. Bonaventura, Absorbing boundary conditions: a spectral collocation approach, Int. J. Numer. Meth. Fluids (2013), DOI: 10.1002/fld.3768
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[21] J. Hoepffner, Implementation of boundary conditions, (2010) http://www.lmm.jussieu.fr/ hoepffner/research/realizing.pdf Accessed 2 Feb 2015
[22] R. Iacono, J. P. Boyd, The Kidder Equation: uxx + 2xux/ √ 1 − αu = 0., Stud. Appl. Math., 135(2014), 63-85.
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Paper (preprint) in HTML form
LAGUERRE COLLOCATION SOLUTIONS VS. ANALYTIC RESULTS FOR SINGULAR SEMILINEAR BVPs ON THE HALF LINE Călin-Ioan Gheorghiu
Romanian Academy, "T. Popoviciu" Institute of Numerical Analysis, Cluj-Napoca, Romania ghcalin@ictp.acad.ro
Abstract
We make use of two Laguerre collocation techniques as a way to illustrate, deepen or extend some analytic results of existence, uniqueness and asymptotic behavior concerning the solutions to second and third orders nonlinear boundary value problems on the half line. We point out some particular features of solutions, e.g. boundary layers, which have not been noticed by theoretical studies and accurately resolve some analytic singularities. With respect to some challenging BVPs from engineering, we show that not absolutely all the analytic results are validated numerically. The free parameter, i.e., the scaling factor, involved in the Laguerre weight function is adjusted in order to ensure the most efficient convergence of the Newton type algorithms.
Keywords: Laguerre collocation, scaling, nonlinear equations, unbounded domain, analytic results, singularities, Kidder equation.
: 65L10, 65L11, 65L15, 65L60.
1. INTRODUCTION
There exists a vast literature on domain truncation type methods, the most used methods for problems defined on unbounded domains, but considerable less rigorous estimations of the domain truncation errors. Domain truncation was coupled with shooting, finite differences and Galerkin schemes. Galerkin or collocation methods based on the Laguerre functions, and the Chebyshev polynomials with various mappings, are the other two alternatives (see for instance the paper of Boyd et al. [11]).
Variants of shooting method along with domain truncation have been usually used to solve numerically two-point boundary value problems on unbounded domains, i.e., on the real line or on the half line. For high order problems, the method is based on the use of certain asymptotic initial conditions together with the compound matrix method. Some iterative and non iterative transformations, which reduce the problems to solutions of a sequence of Cauchy’s related ones, have also been considered (see for instance the paper of Fazio [14]). Along the last decades, using all these techniques, a lot of numerical as well as important analytic results have been established.
In some of our recent papers [15] and [16] we successfully used Laguerre collocation (LC for short) in order to avoid the well known drawback of domain truncation. In this paper we use additionally another variant of LC, namely the Laguerre Gauss
Radau collocation (LGRC for short) introduced by Shen et al. in [31] or Benacchio and Bonaventura [8]. This latter variant has the advantage of a discrete transform.
Thus, the main aim of this paper is to solve accurately higher order boundary value problems, including eigenvalues ones, by a collocation method based on Laguerre functions. The method is fairly efficient in imposing the boundary conditions in origin and at infinity, and easily implementable. The boundary conditions at infinity are directly satisfied by Laguerre functions and the conditions at zero are introduced by a removing technique of independent boundary conditions. With this technique the analytical singularities at the origin have been completely resolved.
The free parameter involved in the LC algorithms is adjusted in order to improve the convergence of the Newton type processes which solve the nonlinear algebraic systems generated by LC and LGRC discretizations. A favorable choice of parameter could speed up the process and enlarge the attraction basin of the solution.
Moreover, we additionally make use of solutions provided by LC as a way to validate and extend some analytical results of existence, uniqueness and asymptotic behavior concerning the solutions to second and third orders nonlinear boundary value problems on the half line. With respect to some challenging BVPs from physics and engineering we show that generally all the analytical results are accurately validated by this pseudospectral method. More important is the fact that we can get a better understanding of the singularities of problems. For instance we detect boundary layer behavior of solutions when the analytical result fails to notice this behavior. However, there are also some exceptions. For instance, in a boundary layer problem, (see Sect. 3.1) our existence results can not be overlapped on some analytic older ones.
All the designed MATLAB codes are fairly similar and simple and do not require large memory space. They work efficiently in CPU times of order of a few seconds or less.
The outline of this paper is as follows: in Section 2 we first briefly review the LC and LGRC algorithms. We have improved our previous numerical results concerning the gas diffusion into an semi-infinite porous medium in the subsection 2.1 (the so called Kidder problem). We confirm that the analytic singularity is a week one. Then we solve two benchmark problems. A closed solution problem which arise in a variety of fields viz. plasmas, colloids, semiconductors, etc. is analyzed in subsection 2.2. The dependence of the accuracy of solutions on the scaling factor is here noticed. An eigenvalue problem attached to Schrödinger equation, with various potentials, is considered in subsection 2.3 . Using the non normality of the left hand side matrix in the pencil (Henrici number and pseudospectrum) we heuristically justify the efficiency of the LC method. In the first subsection of Section 3 we solve a boundary layer problem encountered in physical oceanography. A singular plasma physics problem is analyzed in the subsection 3.2 and in subsection 3.3 we solve a classical ground state problem on the half line. Some remarks on the performances of LC algorithm are provided in the Section 4.
2. LAGUERRE COLLOCATION (LC)AND LAGUERRE GAUSS RADAU COLLOCATION (LGRC)
Just in a very few words we recall the main features of the LC method exposed for instance in our booklet [17], Ch. 4. We consider second and third order problems of the form
where is a linear th order ordinary differential operator, is an arbitrary (nonlinear) function of and its derivatives and is a real (physical) parameter. Actually, in our applications we will consider the cases and 3 . The maps are some simple linear combination of the values of and its first and possibly second derivatives in zero and at infinity. Eigenvalue problems are supposed to belong to this class of problems.
Existence and uniqueness results, as well as results concerning the asymptotic behavior of solutions, for classes of problems belonging to (1) have been reported in the literature, see for instance the papers of Agarwal [4] and O’Regan [29]. A particular class of problems belonging to (1) are the positive radial solutions of some Dirichlet problems (see for instance [24] and [25] to quote but a few).
In order to solve the two-point boundary value problem (1) by LC we represent by the interpolate defined by
| (2) |
where are the Lagrangian interpolating polynomials in barycentric form
| (3) |
The interpolating nodes are the first roots of Laguerre polynomial of degree indexed in increased order of magnitude. We add the node in order to facilitate the incorporation of boundary conditions. We recall that as .
The interval can be mapped to itself by change of variables , where is any positive real number (the scaling factor). The LC method therefore contains a free-parameter. It means that the Laguerre interpolating process is exact for functions of the form
| (4) |
where is any polynomial of degree or less.
The usual Laguerre interpolation was systematically analyzed in some well known textbooks (see for instance [9]).
However, the most important result remains that provided in [9] which reads
| (5) |
where is the usual interpolation operator and the weights are defined as and .
In order to write down the LC equations for (1) we use the Laguerre differentiation matrices from [34] denoted by , where is the differentiation order.
Unfortunately, these matrices are fully populated, non symmetric and quite bad conditioned.
With respect to the boundary conditions, the boundary conditions at infinity are directly satisfied by Laguerre functions. In fact we have
| (6) |
for any natural number .
The conditions at zero are introduced by a removing technique of independent boundary conditions introduced in [21]. In a few words, with this technique we consider the boundary conditions on the origin as linear constraints on the state of our system of degrees of freedom and remove them since they are slaved to the other degrees which we keep. Thus, we decompose the state of the system in degrees of freedom that we keep and degrees of freedom that we remove. We express the removed state variables as a function of the kept ones, thus preserving their action in the system. Moreover, we are not interested in the evolution of the removed degrees of freedom since we can, at any time, recover them from the kept ones.
The LC casts the problem (1) into the following nonlinear algebraic system
| (7) |
where contains the nodal unknown values , i.e. the kept degrees of freedom, and the matrices are square matrices of the dimension . The tilde over these matrices means that the first rows and columns of the entire differentiation matrices are deleted and the boundary conditions have already been enforced. The vector contains the kept nodes . The boundary conditions
| (8) |
are automatically fulfilled due to the linearity of maps .
The Laguerre Gauss Radau quadrature nodes and weights are defined for instance in the monograph of J. Shen et al. [31] p. 243. The set of nodes contains the origin
and in ascending order the zeros of the derivative of the generalized Laguerre polynomial of degree . On these nodes the authors define the differentiation matrix, say again , and then along with the above weights they introduce the discrete Laguerre transform and its inverse. The (forward) discrete transform will be fairly useful in order to transfer the information (values of solution in nodes) from the physical space into the frequency (phase) space. Thus we get the LGRC expansion coefficients of the solution and can quantify them (see Sect. 2.1). Actually, the LGRC casts the problem (1) into a nonlinear algebraic system fairly similar to (7). Observe that in this case .
Solutions to various nonlinear systems (7) have been carried out using the MATLAB built in function fsolve as well as using a discrete transcript of the very efficient and specialized quasilinearization algorithm (QL for short) provided by Mandelzweig and Tabakin in [2]. The QL iterative algorithm is a generalization of the classical Newton-Raphson method. For problems of the class (1), under fairly general conditions on the nonlinearities and , it provides in a small number of iterations fast convergent (quadratic), monotonic (often) and stable numerical results. These conditions refer to the existence of functional derivatives such that the mean value theorem is applicable.
For practical purposes, it is important to underline that the zeroth iteration has to be chosen from physical and mathematical considerations. Usually, it is advantageous that this initial iteration would satisfy at least one of the boundary conditions. All these requirements are fulfilled for the examples below.
The scaling factor has been adjusted manually based on the convergence of the algorithms just mentioned.
2.1. GAS DIFFUSION INTO A SEMI-INFINITE POROUS MEDIUM-REVISITED
In [7], [10] in our contribution [17] and recently in [22] the following singular and nonlinear boundary value problem (the so called Kidder problem) has been considered
where . In order to homogenize the Dirichlet boundary condition in the origin we have introduced the new unknown with . This can be advisable in order to simplify the enforcing of boundary conditions.
In [2] Agarwal and O’Regan show that the problem (9) has a unique non-negative solution of class . Some of our solutions are depicted in Fig. 1. In this figure we have drastically shortened the length of axis in order to make more visible the behavior of the solution nearby the origin.
However, the analytical singularity for , pointed out in [2] does not imply any major difficulty in LC or LGRC numerical processes.
| -1.139001 | -1.191783 | -1.328096 |
Specifically, the Figure 2 displays the only anomaly. When the coefficients of the expansion of LGRC solution stop decreasing at about , a level controlled by the floating point precision. For the coefficient curve kinks after falling at about . Such a break in form suggests that the solution is weakly singular. This result is fairly similar with that displayed in the paper of Iacono and Boyd [22] and at the same time shows that LGRC is less precise than the rational Chebyshev pseudospectral method (see Fig. 1 on p. 68). However, we have confirmed that
| (10) |
for all and .
From computational point of view this lack of difficulty happens due to the fact that the boundary conditions being enforced, the nonlinear system (7) corresponds to a quasi regular problem. Actually, a continuation in the parameter procedure along with fsolve based on the trust-region dogleg algorithm solves the nonlinear system for in 4.6 seconds, using only 5 iterations and 1250 function counts. The residual reduces to and the exitflag output argument provided equals 1 . Some values of the slope at origin are displayed in Table 1. They are in perfect accordance with those provided in [22].
All computations carried out in this paper have been obtained using MATLAB 2010a on an HPxw8400 workstation with clock speed of 3.2 Ghz .
2.2. A NONLINEAR BVP WITH CLOSED SOLUTION
Let consider as test one the genuinely nonlinear BVP
| (11) |
where . The problem comes from the theory of colloids, is solvable by direct methods and the solution reads (see [13])
| (12) |
This closed solution (12) for along with solutions for three distinct values of are depicted in Fig. 3. The best error attained in our computations has been of order in the most singular case, i.e., (see Table 2).
For such "large" values of boundary parameter , a boundary layer type behavior of the solution is emphasized. The derivative of the closed solution as well as of the LC solution corresponding to this case are depicted in the right panel of Fig. 3. They both have been recovered using the first order Laguerre derivative matrix and look as two indistinctive fairly steep curves. As it is expected the error in approximating this derivative has increased attaining the order of (see the second row in Table 2).
As a matter of fact, in a more general framework, in [1] Agarwal and O’Regan show that the problem (11) has a solution such that
| (13) |
Our numerical results reported in Fig. 3 plainly confirm these analytical estimations (the LC and LGRC solutions for and are completely overlapped). Moreover, we point out the boundary layer type behavior of the solution in a narrow region closed to the origin. We also observe that the solution is fairly smooth and thus the factor from the right hand side of (5) decays rapidly to zero.
When a closed solution is not available, the adjustment of the scaling factor as with the result from Table 2 is not possible. Then the adjustment criterion is the residual in solving the nonlinear system (7).
| Sol. error | |||
|---|---|---|---|
| Deriv. error |
2.3. THE RADIAL SCHRÖDINGER EIGENPROBLEMS DEFINED ON A SEMI-INFINITE DOMAIN
As another benchmark problem we consider the following singular eigenvalue problem
| (14) |
with the boundary conditions
| (15) |
where is a particular potential. Since the differential operator involved in this problem is self-adjoint, the spectrum is real. Our aim is to compute the point spectrum of (14)-(15) numerically for various values of the parameter and some potentials.
The LC method casts this problem into the algebraic eigenvalue one, namely
| (16) |
where the matrix is defined
| (17) |
In this matrix, contains the nodes , i.e., the first roots of Laguerre polynomial , and the matrix is obtained from deleting the first row and the first column. In this way the boundary condition is enforced. The vector contains the approximative nodal values of in the nodes contained in . This strategy has been used for the first time by Weideman and Reddy in their seminal paper [34]. In this way the singularity at the origin is completely eliminated.
In order to solve the algebraic eigenvalue problem (16) we have used the MATLAB code eig and comparatively a real variant of a Jacobi-Davidson method, validated for more challenging problems in our previous contributions [18], [19] and [28]. These latter methods are particularly useful because we are mainly interested in a specified region of the spectrum, namely the lowest one.
| 1 | ||
|---|---|---|
| 2 | ||
| 3 |
For instance, for the Hulthén potential, namely
| (18) |
and physical parameters and , the first three eigenvalues are reported in Table 3 along with their asymptotic estimations
| (19) |
established in [8].
In order to estimate the errors involved in our computations we introduce the vectors of the first three LC computed eigenvalues and respectively of the asymptotically computed eigenvalues using (19). We obtain an error of the order , i.e., fairly closed to the machine precision. The results are also in perfect accordance with those reported in [20]. The first three eigenvectors are displayed in Fig. 4.
For and we have obtained for the smallest eigenvalue the value -0.00139659246 which is in perfect accordance with that obtained in [20] by Hammerling et al. All the computations displayed in this section are numerically stable with respect to the order of approximation and the scaling factor.
The success of our approximation is partly explained by the properties of discretization matrix . This matrix is fairly close to be normal. This means that its Henrici number (non-normality ratio) is not far from zero, namely
| (20) |
Remember that for a square matrix we have . The norm in the definition above stands for the Frobenius one (see for instance our contribution [17], Ch. 2). Moreover, the pseudospectrum of (the spectrum of the perturbed ) depicted in Fig. 5 shows fairly moderate deviations from the real spectrum.
We have encountered a fairly similar situation when we have considered some other quantum mechanical potentials such as the Yukawa potential or the hydrogen atom potential.
Once the Laguerre differentiation matrices are computed the used MATLAB code consists in two lines. The first one accomplishes the assembly of the left hand side matrix in (16) and the second calls the built in function eig or another routine containing a Jacobi-Davidson algorithm. Thus, our algorithm is fairly simple, direct and efficient.
Recently, by transforming the dependent and independent variables, the radial Schrödinger equation has been converted into a form resembling the classical Laguerre differential equation and solved by Alici and Taşeli in [5].
3. SOME PROBLEMS WITH TECHNICAL APPLICATIONS
3.1. BOUNDARY LAYERS IN GENERAL OCEAN CIRCULATION
In a fairly general physical context, the following problem has been enunciated by Ierley in [27]. Thus, we investigate the existence of the numerical solutions of the equation
| (21) |
supplied with the no slip boundary conditions
| (22) |
or some stress free boundary conditions, namely
| (23) |
In order to homogenize the condition at infinity in the problem (21)-(23) we introduce the new variable . In this new variable, the system (7) corresponding to this problem reads
| (24) |
where the matrices are square of the dimension .
In [32] both problems (21)-(22) and (21)-(23) have been analytically approached. The author shows that for "small" each of these problems have a unique solution with the following asymptotic behavior
| (25) |
uniformly as where
| (26) |
for the first one, and for the second one the asymptotic behavior is given by the following function
| (27) |
With respect to the problem (21)-(23) our numerical computations confirm the asymptotic behavior for (see Fig. 6 and Fig. 7). Our numerical results show that for a solution exists. We could find a stable and reliable solution for a maximum value of equating 0.85 . It is visible in Fig. 7 (the lowest curve) and preserve the boundary layer behavior.
It is important to observe at this stage that in [26] the authors estimate that no solution exists for and the author in [32] provides a larger limit for non existence, namely .
Our numerical experiments, have produced an intermediate result for non- existence of solutions namely . However, the solutions displayed so far have been numerically stable for and .
Fairly similar results have been obtained in case of no slip boundary conditions, i.e., the problem (21)-(22).
As a final remark we can say that our numerical solutions confirm at least qualitatively those exposed in [26].
3.2. A PLASMA PHYSICS PROBLEM
In [3] Agarwal and O’Regan consider the following problem
where the constants and are positive. They show that this problem has a solution with where
| (29) |
Two solutions carried out by LC method along with the upper bound are displayed in Fig. 8 for and , in the left panel, and for the same and in the right panel.
Again our numerical results accurately confirm the analytical ones. However, the upper bound (29) seems to be rather large especially for "small" . For a fixed , the computed boundary value increases when the parameter is decreasing. This correct value is a byproduct of our numerical computations.
The LC algorithm remains stable with respect to the order of approximation in the range [48, 124] and the scaling factor around the value 5.0. The trustregion dogleg algorithm used by fsolve solves the nonlinear system involved by LC method only in five iterations. The residual provided is fairly closed to zero, i.e., . The elapsed time is of order of a few seconds.
3.3. BOUND-STATE PROBLEM
The following nonlinear problem has been thoroughly analyzed by Coffman in [12], and also in some subsequent papers such as [24], [25] and [33]
Here is a constant (the dimension) and is an assigned function determining the particular form of the problem. We envisage a smooth solution, i. e., a function of the class .
For the sake of our numerical analysis, we will restrict ourselves to of the following simple polynomial form
| (31) |
where . For and , the solutions to (30) with and respectively are reported in Fig. 9.
At least for this simple case, we can notice the dependence of the boundary values on the parameter . It is quantified in the Table 4 and it is difficult to be classified in a particular way.
However, in solving the nonlinear system (7) corresponding to this problem we have encountered the most challenging situation. More precisely, a convergent and
| 1.5 | 4.2765 |
| 2.0 | 4.1917 |
| 2.5 | 4.2087 |
| 3.0 | 4.3374 |
stable numerical solution required a high scaling factor , i.e., and an initial guess far enough from zero. Thus, we have taken into account as this initial approximation const. with the constant larger than 1 . Consequently, our numerical experiments pointed out that the null solution has a fairly large basin of attraction.
4. CONCLUDING REMARKS
Throughout this paper the scaling factor involved in the Laguerre collocation methods has been manually adjusted. This has been done with respect to the convergence outcomes provided by the MATLAB solver fsolve (exitflag and the residual) as well as with regard to the residual provided by the quasilinearization algorithm. An a priori determination or an automatic adaptation of this free parameter, for a specific problem, is still an open issue.
In spite of this minor inconvenience the LC algorithms proved to be fairly simple and accurate in solving a set of genuinely nonlinear and, at the same time, singular boundary value problems defined on the half line. Neither an arbitrary truncation of this domain, nor large systems of ordinary differential equations, supposed by compound matrix methods have been necessary. All the nonlinear algebraic systems encountered within this paper have reasonable dimensions (of order ) and the CPU elapsed time, required to accurately solve them, does not exceed some few seconds on an ordinary machine.
Additionally, the method has offered real clues in order to clarify the dependence of solutions on some physical parameters and with the purpose of accurately resolve some analytic singularities. Comparison with some other numerical and analytical results from literature, shows that both Laguerre collocation methods are highly competitive and can be used as companion tools for various theoretical studies.
Acknowledgement. The author thanks to the anonymous referee for carefully reading the manuscript. She/he pointed out an annoying flaw. The author is also sincerely indebted to the managing editor for her efficient and generous work.
References
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[2] R. P. Agarwal, D. O’Regan, Infinite Interval Problems Modeling the Flow of a Gas Through a Semi-Infinite Porous Medium, Stud. Appl. Math., 108(2002), 245-257.
[3] R. P. Agarwal, D. O’Regan, Infinite interval problems modelling phenomena which arise in the theory of plasma and electrical potential theory, Stud. Appl. Math., 111(2003), 339-358.
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[5] H. Alici, H. Taşeli,The Laguerre pseudospectral method for the radial SchrĂśdinger equation, Appl. Numer. Math., doi:10.1016/j.apnum.2014.09.001
[6] O. Bayrak, I. Boztosun, Analytical solutions of the HulthĂŠn and the Morse potentials by using the Asymptotic Iteration Method, J. Mol. Structure: THEOCHEM, 802(2007), 17-21.
[7] J. V. Baxley, Existence and Uniqueness for Nonlinear Boundary Value Problems on Infinite Intervals, J. Math. Anal. Appl., 147(1990), 122-133.
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