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A Parametric Six-Step Method For Second Order IVPs With Oscillating Solutions

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07 November 2024

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11 November 2024

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Abstract
In this paper, we have developed an explicit symmetric six-step method. This new method is phase-fitted and incorporates a free coefficient as a parameter. Using a wide range of values for this parameter, we computationally define the periodicity interval. Numerical outcomes guided us toward identifying optimal values for the parameter, establishing the new method’s high efficiency. The efficiency of the new method is demonstrated through its application to oscillatory problems, comparing it with well-known phase-fitted methods.
Keywords: 
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1. Introduction

This paper focuses on the numerical solution of the initial value problem (IVP) characterized by the following form
y ( t ) = f ( t , y ) , y ( t 0 ) = y 0 , y ( t 0 ) = y 0
whose solutions display a notable oscillatory nature. This kind of problem is commonly encountered across a wide spectrum of scientific disciplines, such as quantum mechanical scattering problems, celestial mechanics, and elsewhere.
Several authors have derived numerical methods of a single step, such as Runge-Kutta or Runge-Kutta-Nyström, which are based on properties such as phase-lag or trigonometric / exponential fitting (see [1,2,3,4,5,6]), while others use these properties for the development of multistep methods (see [7,8,9,10,11,12,13,14,15,16,17,18,19,20]). All of these methods incorporate frequency-dependent coefficients and demonstrate high efficiency in numerical solution of second-order IVPs with oscillating solutions.
In this research work, a new explicit parametric symmetric linear six-step method is produced. The new method is of sixth algebraic order with zero phase-lag and is used for the numerical solution of oscillatory problems. The approach of this study is based on the procedure of Anastassi and Simos [12] for the derivation of a linear four-step method, and should be considered as a technique which gives the opportunity to choose the appropriate value for the free parameter in order to numerically solve an IVP, depending on whether it needs a fast low accurate solution or a solution of high accuracy.
In particular, in Section 2, the basic theory of linear multistep methods is provided. In Section 3, the development of the new parametric method is presented, as well as the local truncation error and periodicity analysis for the new method. Furthermore, in Section 4, the results of the application to three well-known problems are demonstrated. Finally, the conclusions of this research article are presented in Section 5.

2. Theory of Linear Multistep Methods

The linear k-step method for the numerical integration of the initial value problem (1) is of the form
i = 0 k a i y n + i = h 2 i = 0 k b i f ( t n + i , y n + i )
The general method (2) it is known that is associated with the linear difference operator which is given from the expression
L ( t ) = i = 0 k a i y ( t + i h ) h 2 i = 0 k b i y ( t + i h )
where y C 2
Definition 1. 
The multistep method (2) is said to be of algebraic order p if the associated linear operator L in equation (3), vanishes for any linear combination of linearly independent functions 1 , t , t 2 , . . . , t p + 1
At this point, we consider the scalar test equation
d 2 y ( t ) d t 2 = ω 2 y ( t ) , ω R +
By applying a 2k-step symmetric method to equation (4), the difference equation below is produced
A k ( v ) y n + k + . . . + A 1 ( v ) y n + 1 + A 0 ( v ) y n + A 1 ( v ) y n 1 + . . . + A k ( v ) y n k
where A 0 , A 1 , . . . , A k are polynomials in v of the form A i ( v ) = a i + b i v 2 , i = 0 ( 1 ) k and v = ω h .
The characteristic equation which is associated with (5) is
A k ( v ) s k + . . . + A 1 ( v ) s + A 0 ( v ) y n + A 1 ( v ) s 1 + . . . + A k ( v ) s k = 0
The following definitions are derived from Lambert and Watson [21].
Definition 2. 
A symmetric 2k-step method with characteristic equation of the form (6) has interval of periodicity ( 0 , s 0 2 ) , if s < s 0 the characteristic roots should satisfy the following conditions:
λ 0 = e I ϕ ( s ) , λ 1 = e I ϕ ( s ) and | λ i | 1 , i = 2 ( 1 ) m 1 , ,
where s = ω h and ϕ ( s ) is a real function of s.
Definition 3. 
For any method corresponding to the characteristic equation (6), the phase-lag is defined as the term t = v ϕ ( v ) .
If the quantity t = O ( v q + 1 ) as v 0 , the order of phase-lag is q, where the characteristic roots are of the form λ 0 = e I ϕ ( v ) , λ 1 = e I ϕ ( v ) , v = ω h and satisfy the conditions of Definition (2)
Theorem 1. 
The symmetric 2k-step method with characteristic equation given by (6) has phase-lag q and phase-lag constant c given by
c v q + 2 + O ( v q + 4 ) = 2 A k ( v ) cos ( k v ) + . . . + 2 A j ( v ) cos ( j v ) + . . . + A 0 ( v ) 2 k 2 A k ( v ) + . . . + 2 j 2 A j ( v ) + . . . . + 2 A 1 ( v )

3. Development of the New Symmetric Method

This section outlines the derivation approach for an explicit symmetric linear six-step method featuring frequency-dependent coefficients.
With this objective in mind, we examine the following scheme
y 3 = y 3 a 2 ( y 2 + y 2 ) a 1 ( y 1 + y 1 ) + h 2 b 2 ( f 2 + f 2 ) + b 1 ( f 1 + f 1 ) + b 0 f 0
The linear method we are about to formulate is of sixth algebraic order and incorporates a variable coefficient as a parameter. This coefficient will be utilized to explore both accuracy and the interval of periodicity. If we apply the six-step method (8) on the scalar equation (4), we generate the polynomials A k ( v ) | k = 0 ( 1 ) 2 , with v = ω h , where ω represents the primary frequency of the problem and h denotes the integration step size. Subsequently, using Theorem (1), we derive the expression for the method’s phase-lag (PL).
P L = 2 cos 3 v + 2 b 2 v 2 + a 2 cos 2 v + 2 b 1 v 2 + a 1 cos v + b 0 v 2 18 + 8 b 2 v 2 + 8 a 2 + 2 b 1 v 2 + 2 a 1
To attain both zero phase-lag and the highest achievable algebraic order p for method (8), the following conditions must be satisfied
P L = 0
L ( t i ) = 0 , i = 0 , 1 , . . . , p + 1
Upon solving the aforementioned system, we obtain the expressions for the method’s coefficients.
a 1 = 1 a 2 K = v 2 cos v 2 + 1 2 cos v b 0 = ( 144 cos v 3 + 144 cos v + 36 cos v a 2 112 cos v v 2 72 a 2 cos v 2 + 36 a 2 + 32 v 2 3 v 2 a 2 57 cos v v 2 a 2 64 v 2 cos v 2 + 6 v 2 a 2 cos v 2 ) / 12 K b 1 = ( 80 v 2 cos v 2 + 16 v 2 + 96 cos v 3 96 cos v 24 cos v a 2 + 48 a 2 cos v 2 24 a 2 + 21 v 2 a 2 + 15 v 2 a 2 cos v 2 ) / 12 K b 2 = ( 48 cos v 3 48 cos v 12 cos v a 2 + 80 cos v v 2 + 24 a 2 cos v 2 12 a 2 32 v 2 + 3 v 2 a 2 + 15 cos v v 2 a 2 ) / 24 K
As v 0 , instead of using the above expressions, we use the Taylor series expansions.
b 0 = 52 15 + 37 40 a 2 + 118 315 + 53 3360 a 2 v 2 + 197 9450 + 11 33600 a 2 v 4 + 13 69300 19 8870400 a 2 v 6 + 5267 972972000 6427 10378368000 a 2 v 8 + 589 40864824000 11509 290594304000 a 2 v 10 + 449 308756448000 56369 29640619008000 a 2 v 12 + 1723 15506914752000 3011933 37845142349414400 a 2 v 14 b 1 = 4 5 + 29 30 a 2 + 236 945 53 5040 a 2 v 2 + 11 50400 a 2 197 14175 v 4 + 13 103950 + 19 13305600 a 2 v 6 + 5267 1459458000 + 6427 15567552000 a 2 v 8 + 589 61297236000 + 11509 435891456000 a 2 v 10 + 449 463134672000 + 56369 44460928512000 a 2 v 12 + 1723 23260372128000 + 3011933 56767713524121600 a 2 v 14 b 2 = 22 15 + 17 240 a 2 + 53 20160 a 2 59 945 v 2 + 197 56700 + 11 201600 a 2 v 4 + 13 415800 19 53222400 a 2 v 6 + 6427 62270208000 a 2 + 5267 5837832000 v 8 + 589 245188944000 11509 1743565824000 a 2 v 10 + 449 1852538688000 56369 177843714048000 a 2 v 12 + 1723 93041488512000 3011933 227070854096486400 a 2 v 14

3.1. Local Truncation Error and Periodicity Analysis

Using the expressions (13) into the method (8), we derive the principal error for the test equation (4). This error arises from the Taylor series expansion of the difference between both sides of Equation (8) and its expression is as follows.
P L T E = 3776 159 a 2 60480 y ( 8 ) ( t ) + y ( 6 ) ( t ) ω 2 h 8
At this point, we computationally determine the interval of periodicity. Following the application of method (8) using the coefficients outlined in (12) to address the test problem (4), we calculate the characteristic equation for the new parametric method as defined in Equation (6). The characteristic equation obtained is expressed as follows.
λ 6 + B 2 λ 5 + B 1 λ 4 + B 0 λ 3 + B 1 λ 2 + B 2 λ + 1 = 0
where:
B 0 = 1 12 64 cos s 2 6 a 2 cos s 2 + 57 cos s a 2 32 + 3 a 2 + 112 cos s s 2 cos s 1 2 1 12 144 cos s 3 144 cos s 36 a 2 + 72 a 2 cos s 2 36 cos s a 2 cos s 1 2 B 1 = 1 12 15 a 2 cos s 2 + 80 cos s 2 + 21 a 2 + 16 s 2 cos s 1 2 + 1 12 96 cos s 3 + 36 a 2 cos s 2 36 a 2 12 cos s 2 72 cos s 12 cos s 1 2 B 2 = 1 24 15 cos s a 2 + 3 a 2 + 80 cos s 32 s 2 cos s 1 2 1 24 48 cos s 3 + 36 cos s a 2 36 a 2 48 cos s cos s 1 2 s = ω h
We perform computational analysis on the characteristic equation (15) over a broad spectrum of coefficient values, a 2 . In this process, we ascertain the periodicity interval by assessing the conditions stipulated in Definition 2 for the set { s ^ | s ^ 2 ( 0 , s 0 2 ) } , where s ^ = n Δ s , n N 0 and Δ s = 10 2 . The results of this investigation are illustrated in Figure 1.
It is important to emphasize that the method exhibits a non-zero periodicity interval exclusively when a 2 falls within the range of ( 2.67 , 0 ) . Furthermore, the method displays convergence within this identical interval due to its inherent consistency. As depicted in Figure 1, the reduction in the value of a 2 , corresponds to an expansion of the periodicity interval. In addition, a similar behavior is observed in the case of the local truncation error, evident from Equation (14), and notably from the expression 3776 159 a 2 60480 . This expression reaches its maximum value as a 2 approaches 2 . 67 + and its minimum value as a 2 tends towards 0 . Therefore, the objective is to identify the optimal value of a 2 that simultaneously minimizes the error and ensures the stability of the method.

4. Numerical Results

4.1. The Problems

The recently introduced method, described above, was applied to three widely recognized oscillatory problems.
  • The Schrödinger equation - Resonance problem
  • The "almost" periodic orbit problem by Stiefel and Bettis
  • The Duffing equation
The description of these problems is given below.

4.1.1. Schrödinger Equation - Resonance Problem

The one-dimensional or radial Schrödinger equation has the form
y ( x ) + E l ( l + 1 ) x 2 V ( x ) y ( x ) = 0 .
where
x R * ,
E is the energy,
l ( l + 1 ) / x 2 is the centrifugal potential,
V ( x ) the electric potential
The function W ( x ) = l ( l + 1 ) / x 2 + V ( x ) is the effective potential, where lim x V ( x ) = 0 and so lim x W ( x ) = 0 . Furthermore, there is the boundary condition y ( 0 ) = 0 and a second boundary condition, which is determined by physical considerations for large values of x.
For our numerical illustration, we will consider the integration domain as x [ 0 , 15 ] , applying the Woods-Saxon potential
V ( x ) = u 0 1 + q + u 1 q ( 1 + q ) 2 , q = e x p x x 0 α , w h e r e u 0 = 50 , α = 0.6 , x 0 = 7 , u 1 = u 0 α
For positive energies ( E = k 2 ) , the potential V ( x ) dies away faster than the centrifugal potential ( l ( l + 1 ) / x 2 ) , so for large values of x, Schrödinger equation effectively reduces to
y ( x ) + ( k 2 l ( l + 1 ) x 2 ) y ( x ) = 0
Equation ( ) has two linearly independent solutions. These are k x j l ( k x ) and k x n l ( k x ) , where j l and n l represent the spherical Bessel and Neumann functions, respectively. As x , the solution to equation ( ) takes the following asymptotic form.
y ( x ) A k x j l ( k x ) B k x n l ( k x ) D s i n k x l π 2 + t a n ( δ l ) c o s k x l π 2 ,
where δ l is the scattering phase shift, which may be approximated by the following expression.
t a n ( δ l ) y ( x i ) S ( x i + 1 ) y ( x i + 1 ) S ( x i ) y ( x i + 1 ) C ( x i ) y ( x i ) C ( x i + 1 ) ,
where S ( x ) = k x j l ( k x ) , C ( x ) = k x n l ( k x ) and x i < x i + 1 both exist in the asymptotic region.
In the case of positive energies ( E > 0 ) and for l = 0 , we approximate ( δ l ) based on (20) and then compare its value to the exact value π / 2 . For this eigenvalue problem the boundary conditions are y ( 0 ) = 0 and y ( x ) = c o s ( E x ) for large x.
We use the eigenenergy E = 989.701916 and for the frequency we use the suggestion of Ixaru and Rizea [22]
ω = { E + 50 , x [ 0 , 6.5 ] E , x [ 6.5 , 15 ]

4.1.2. Orbit problem by Stiefel and Bettis

Stiefel and Bettis (1969) [23] studied the "almost" periodic orbit problem, which is given below.
d 2 y ( t ) d t 2 = y ( t ) + ϵ e x p ( i t ) , y ( t ) C y ( 0 ) = 1 , y ( 0 ) = ( 1 1 2 ϵ ) i .
where ϵ = 0.001 .
The analytical solution of the problem (21) is
y ( t ) = c o s ( t ) + 1 2 ϵ t s i n ( t ) + i [ s i n ( t ) 1 2 ϵ t c o s ( t ) ]
Equivalently, the problem (21) can be described from the system
d 2 y 1 ( t ) d t 2 = y 1 + 0.001 cos ( t ) , y 1 ( 0 ) = 1 , y 1 ( 0 ) = 0 , d 2 y 2 ( t ) d t 2 = y 2 + 0.001 sin ( t ) , y 2 ( 0 ) = 0 , y 2 ( 0 ) = 0.9995
The analytical solution of the system (22) is
y 1 ( t ) = cos ( t ) + 0.0005 t sin ( t ) , y 2 ( t ) = sin ( t ) 0.0005 t cos ( t )
The estimated frequency for this problem is ω = 1 .

4.1.3. Duffing equation

The Duffing equation can be described by
d 2 y ( t ) d t 2 = y ( t ) ( y ( t ) ) 3 + B c o s ( ω t )
where B = 0.002
The analytical solution of (23) is
y ( t ) = A 1 c o s ( ω t ) + A 3 c o s ( 3 ω t ) + A 5 c o s ( 5 ω t ) + A 7 c o s ( 7 ω t ) + A 9 c o s ( 9 ω t )
where
A 1 = 0.200179477536 ,
A 3 = 0.000246946143 ,
A 5 = 0.000000304014 ,
A 7 = 0.000000000374 and
A 9 = 0.000000000000
The estimated frequency for this problem is ω = 1.01 .

4.2. The Compared Methods

To evaluate the efficiency of the new method, we compare it with five well-known sixth algebraic order phase-fitted explicit methods with variable coefficients. The methods used in the comparison are
  • Method A: The new phase-fitted parametric method which was derived in Section 3 (for a wide range of parameter a 2 ).
  • Method B: The 4-step phase-fitted method, developed by Simos [9].
  • Method C: The Numerov-type hybrid method, developed by Konguetsof [14].
  • Method D: The Runge-Kutta type hybrid method, developed by Alolyan and Simos [11].
  • Method E: The zero-dissipative hybrid method, developed by Ahmad et. al [10].
  • Method F: The high order method of the Runge-Kutta-Nyström pair, developed by Anastassi and Kosti [1].

4.3. Effectiveness and Optimal Values for the New Parametric Method

In Figure 2 - Figure 4, we visualize the evaluation of the novel parametric approach, which is represented as l o g 10 ( e r r o r ) , relative to the coefficient a 2 . The error in this context is determined differently for distinct scenarios: in the case of known accurate solutions such as the Stiefel-Bettis problem and the Duffing equation, the error corresponds to the maximum absolute error value of the integration interval. In the case of Schrödinger equation, the error is defined as | δ l π / 2 | .
Each of these figures illustrates the accuracy of the new method, represented by small dots (appearing as solid lines) across all values of the parameter a 2 and for various integration step sizes h. As expected, smaller integration steps result in higher accuracy. The variety of colors in the graphs corresponds to different integration step lengths, as indicated in the figures’ legends. The dashed line, shown in a specific color, signifies the highest level of accuracy achieved by alternative methods in the comparative analysis (see Section 4.2) while requiring the same computational effort — measured as l o g 10 of the number of function evaluations — as the new parametric method.
For instance, in the case of the Stiefel and Bettis problem (Figure 4), when the new method is employed with a step size of h = 0.05 , its initial accuracy is relatively low ( < 5.5 ) for values of a 2 2 . 66 + . However, it progressively improves, surpassing an accuracy level of 8 as a 2 0 . Among the other methods subjected to the same number of function evaluations required by the new method (for h = 0.05 ), the most efficient demonstrates an accuracy of approximately 7.4 , denoted by the same color dashed horizontal line (as accuracy for the other methods does not depend on the coefficient a 2 ). The intersection points reveal that the new parametric method consistently outperforms the other methods under consideration for all values of a 2 exceeding approximately 1.6 . Points where the graph lacks small dots indicate that the parametric method exhibits instability. This typically occurs when employing large step-size values (h) and for high values of the coefficient ( a 2 ).
Furthermore, in terms of effectiveness, there exists a substantial range of values for the coefficient a 2 , where the new method consistently delivers the highest level of accuracy. These specific intervals commence at the point of intersection between the small dots and the dashed line. For the Schrödinger equation, this interval begins at approximately 1.6 , for the Duffing equation at 2.2 , and for the Stiefel-Bettis problem it starts at 2.1 .
Regarding the upper limit of this interval, it varies depending on whether our priority is to obtain a highly accurate solution or a faster, albeit less accurate one. In pursuit of enhanced accuracy, our objective is to choose a value for a 2 that closely approaches the upper limit of this interval. When our aim is to achieve a quicker solution with reduced accuracy, for example, an accuracy level of 1 or 2, it becomes necessary to adjust the upper limit of the interval within which a 2 operates in order to maintain method’s stability. Specifically, these adjusted upper limits are as follows: 1.2 for the Schrödinger equation and 0.3 for the rest of the problems.
The new method’s accuracy exhibits occasional spikes across different combinations of h and a 2 values. These spikes are a result of resonances triggered by the presence of spurious roots within the characteristic equation of the method. It’s essential to recognize that these resonances vary for different values of a 2 , and this phenomenon is inherent in all linear multistep methods comprising more than two steps. Quinlan’s extensive investigation of this behavior, with further details available in [24], sheds light on the matter. Fortunately, when considering the recommended optimal a 2 values outlined below, the new method consistently outperforms the compared methods.
Considering the examination presented in the preceding paragraphs, the recommended values for the coefficient a 2 are presented in Table 1.

4.4. Comparison of the New Parametric Method with Other Phase-Fitted Methods Based on Optimal Values and Upper Limits for a 2

At this point, we demonstrate the accuracy of the new method against the phase-fitted methods described in Section 4.2 by choosing a value for the coefficient a 2 based on the upper limits discussed in Section 4.3. We choose to measure the efficiency of the method by computing the accuracy in the decimal digits, which is l o g 10 (maximum error through the integration intervals) versus the computational effort measured by the l o g 10 (number of function evaluations required).
Following the analysis preceded in Section 4.3, we choose for the parameter a 2 the value 1.2 , which is the upper limit of the interval for the Schrödinger equation. In Figure 5 - Figure 7, we display the results. According to the results, the proposed method demonstrates superior effectiveness in all three problems, achieving higher accuracy than the other methods in the comparison.

5. Conclusions

This study introduces a six-step parametric phase-fitting method with frequency-dependent coefficients for the numerical solution of oscillatory problems. We evaluated the efficiency of our new method across a wide spectrum of parameter’s value and conducted a comparative assessment against established methods in the existing literature. The numerical results guided us toward identifying optimal values for the parameter, establishing the high efficiency of the new method.

Funding

This research received no external funding.

Institutional Review Board Statement

Not applicable.

Informed Consent Statement

Not applicable.

Data Availability Statement

Not applicable.

Acknowledgments

The publication fees of this manuscript have been financed by the Research Council of the University of Patras.

Conflicts of Interest

The authors declare no conflicts of interest.

References

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Figure 1. Method’s periodicity interval with respect to the coefficient a 2
Figure 1. Method’s periodicity interval with respect to the coefficient a 2
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Figure 2. Efficiency of the new method for all values of a 2 - Schrödinger equation
Figure 2. Efficiency of the new method for all values of a 2 - Schrödinger equation
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Figure 3. Efficiency of the new method for all values of a 2 - Duffing equation
Figure 3. Efficiency of the new method for all values of a 2 - Duffing equation
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Figure 4. Efficiency of the new method for all values of a 2 - Stiefel-Bettis problem
Figure 4. Efficiency of the new method for all values of a 2 - Stiefel-Bettis problem
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Figure 5. Comparison for the Schrödinger equation
Figure 5. Comparison for the Schrödinger equation
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Figure 6. Comparison for the Duffing equation
Figure 6. Comparison for the Duffing equation
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Figure 7. Comparison for the Stiefel-Bettis problem
Figure 7. Comparison for the Stiefel-Bettis problem
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Table 1. Optimal values of the parameter a 2 .
Table 1. Optimal values of the parameter a 2 .
Value of a 2 Accuracy
a 2 = 1 20 for high accuracy ( > 8 )
a 2 = 1.5 for fast solution with low accuracy ( 2 )
a 2 ( 1.5 , 1 20 ) for medium accuracy
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