Abstract
We consider the numerical solution of a one-dimensional time-fractional diffusion problem, where the order of the Caputo time derivative belongs to (0, 1). Using the technique of the method of lines, we first develop from the original problem a system of fractional ordinary differential equations. Using an integral equation reformulation of this system, we study the regularity properties of the exact solution of the system of fractional differential equations and construct a piecewise polynomial collocation method to solve it numerically. We also investigate the convergence and the convergence order of the proposed method. To conclude, we present the results of some numerical experiments.
1. Introduction
Diffusion processes hold a position of utmost significance in science. These processes, ranging from the spread of heat through materials to the dispersion of molecules in fluids, play a pivotal role in understanding various phenomena across diverse scientific disciplines. Traditionally, diffusion has been effectively described using classical, integer-order differential equations, such as Fick’s second law or the heat equation. However, these conventional models fail to capture the intricacies observed in systems characterized by anomalous behavior. For example, different aspects such as interactions between particles and memory effects have limited the classical approach in describing a large variety of experimental problems [].
One way to overcome the shortcomings of the classical approach involving integer-order differential equations is to instead use time-fractional diffusion equations, which have been found useful in many real-life processes where anomalous diffusion occurs [,,,,]. In the current paper, we consider the numerical solution of time-fractional diffusion equations corresponding to sub-diffusive models, where the order of the time-fractional differential operator belongs to . Sub-diffusion refers to situations where particles spread more slowly than predicted by classical models [].
Since finding an exact solution to a time-fractional diffusion equation is not usually feasible in practice, the development of effective numerical methods is crucial for solving real-world diffusion problems. One of the more popular approaches is to use finite difference methods for the numerical solution of time-fractional diffusion equations (see [,,,,,,,,,] and the references therein). These methods usually discretize the spatial and temporal domains and approximate the derivatives using appropriate difference formulas. On the other hand, in the numerical solution of ordinary fractional differential equations, an often-used approach is to convert the fractional differential equation to a weakly singular integral equation and to solve the transformed equation using a collocation-type method (see, for example [,,,,]). However, only a few researchers have considered the numerical solution of time-fractional diffusion equations by collocation methods [,,,] (see also []). In collocation methods one looks for an approximate solution in a finite-dimensional space and determines the approximate solution by requiring that it satisfies the equation on an appropriate finite set of points (on the so-called collocation points). If initial or boundary conditions are present, then the collocation solution will usually be required to fulfill these conditions, too. In particular, collocation methods that use polynomial splines and special non-uniform grids take into account the possible singular behavior of the exact solution of weakly singular integral equations. Moreover, these methods usually enable us to obtain a stable and high-order procedure with uniform convergence on the whole interval of integration. Therefore, in the present article, we are interested in developing a numerical scheme for time-fractional diffusion equations that combines space variable discretization and the classical piecewise polynomial collocation method on a non-uniform grid, where the grid points reflect the possible singular behavior of the underlying solution.
The space variable discretization (sometimes also called the method of lines []) is a technique that involves discretizing with respect to the spatial variables and treating the resulting system as a set of coupled fractional ordinary differential equations. For our problem, this allows us to remodel the time-fractional diffusion equation into a system of ordinary fractional differential equations. To solve the obtained system of fractional differential equations, we reformulate it as a system of weakly singular Volterra integral equations of the second kind and employ a suitable collocation method for finding approximate solutions. Our approach enables us to construct a high-order numerical method for solving the sub-diffusion problem, despite the fact (see [,,]) that the temporal partial derivatives of solutions of time-fractional diffusion equations have, in general, weak singularities at the initial time . It is worth mentioning that we can achieve a sufficiently high convergence order even when using polynomials of low degree.
The rest of the paper is organized as follows: In Section 2, we present the underlying problem and necessary notations. Next, in Section 3, we use the method of lines to create a system of ordinary fractional differential equations. In Section 4, we reformulate this system as a system of integral equations and study the regularity properties of its exact solution. Then, we introduce a collocation-based method for finding approximate solutions in Section 5 and study the convergence and convergence order of the proposed method in Section 6. In Section 7, we test our theoretical error estimates using some numerical experiments.
2. Time-Fractional Sub-Diffusion Model
Consider the time-fractional sub-diffusion equation
subject to the following boundary and initial conditions:
Here, is the unknown function, , p is a positive constant (sometimes called the general diffusion coefficient), with , and , where . Furthermore, denotes the -order Caputo fractional derivative of with respect to the variable t, which, for , is defined [,] by
where is the Euler gamma function: For one-dimensional absolutely continuous functions, y, on , we will use the simplified notation, , for the Caputo fractional derivative of y:
Using and , with , , we denote the sets of m times continuously differentiable functions on and , respectively; for , we set and . In particular, denotes the Banach space of continuous functions, w: , with the usual norm, : . Below, we will also use the following notations. For
the writing ; for , we set ) means that , ; note that is a Banach space with respect to the norm
Using , we denote the space of all essentially bounded measurable functions , such that
where means that the Lebesgue measure of the set is equal to zero. For , the writing means that , , and is a Banach space with respect to the norm
Finally, let X and Y be some linear spaces, and let be a given operator. Then, for a fixed and vector with , by we denote the vector , with .
Note that without the loss of generality, we can consider Equation (1) only with homogeneous boundary conditions (2) and (3) since, in the case of more general boundary conditions
where and are some sufficiently smooth functions on , Problem {(1), (4), (6)} is easily transformed to a problem with homogeneous boundary conditions. Indeed, introducing (see, e.g., []) an auxiliary function by
the inhomogeneous boundary conditions (6) for u are transformed to the homogeneous boundary conditions for v: , . Moreover, we see that both Equation (1) and the initial condition (4) maintain their original form with respect to the new unknown function v:
where
and
where
For the existence and uniqueness of a classical solution u to (1)–(4) (that is, and both exist in Q and u satisfies (1)–(4) pointwise), we refer the reader to []. The regularity properties of solutions u to (1)–(4) are described in [] (see also [,,,]). In particular, the smoothness of all the data of (1)–(4) does not imply the smoothness of the solution u in the closed domain , and the essential feature of all typical solutions to (1)–(4) is that the first-order derivative, , in general, blows up as (see []). This is a significant obstacle for constructing high-order methods for the numerical solutions to (1)–(4).
On the other hand, in [], it is shown that when the data of Problem (1)–(4) has sufficient regularity, there exists a constant such that for the spatial derivatives of the exact solution, , to (1)–(4), we have
In our approach below, we assume that the solution, u, to (1)–(4) satisfies the derivative bounds (7). In particular, we will use this assumption already in the space variable discretization described in the next section.
3. Space Variable Discretization
We begin by developing a system of fractional differential equations from Problem (1)–(4) by space variable discretization using the idea of the method of lines. Let , . We introduce a uniform mesh on the interval defined by gridpoints
Using (8) and a standard second-order difference formula
we approximate (1)–(4) using a system of equations
Here,
are the unknown functions, and and are defined by
Thus, we have for finding a system of fractional differential equations in the form
subject to the initial conditions
where the function is given by (4), the functions are defined by
and the constants are determined by
For simplicity of presentation, we rewrite (11) and (12) in vector form
where is unknown, its Caputo fractional derivative is defined componentwise by , and
Below, we will also need the Riemann–Liouville integral operator, , of order , defined by
where I is the identity mapping and is the Euler gamma function. Note that the operator is linear, bounded, and compact as an operator from to (see, e.g., []). Moreover, we have for any that (see, e.g., [])
4. Integral Equation Reformulation
Let be an arbitrary continuous vector function, such that . Then, with the help of (5) and (17), we obtain
where is a constant vector and
It follows from (16) that in the form of (18) satisfies the initial condition (15) if and only if
Let now be a solution to (14) and (15) such that and . Then, due to (18) and (19), we can rewrite Problem (14)–(15) in the form
where
Conversely, it is easy to see that if is a solution to (20), then defined by (18) with is a solution to (14) and (15) and belongs to . In this sense, Equation (20) is equivalent to Problem (14)–(15).
In order to describe the existence, uniqueness, and regularity properties of the solution to Problem (14)–(15), we introduce weighted spaces, and , adaptions of a more general weighted space of functions introduced in [] (see also []). For , we define the weight function
and for given , , , , , by , we denote the Banach space of continuous functions, , which are q times continuously differentiable in , such that
We see that if , then for all and , the following estimation holds:
where is a positive constant.
Further, given , , and , , notation means that for . The set becomes a Banach space if it is equipped with the norm
Note that
Following the proof of Lemma 2.2, in [], we can prove the following result.
Lemma 1.
Let and . Then operator , defined by
is compact as an operator from to , thus also from to and from to . Furthermore, is compact as an operator from into , where .
Theorem 1.
Let and let , where , , . Let , . Then, the following statements are fulfilled.
- (i)
- (ii)
Proof.
(i) We observe that since and . Further, is a compact operator from to since is compact. Note that the homogeneous equation, , has in only a trivial solution, . Therefore, using the Fredholm alternative, we obtain that the equation possesses in a unique solution . Thus, Problem (14)–(15) has a unique solution .
(ii) Let , , . Then, clearly . Since , it follows from Lemma 1 that is a compact operator from to . Therefore, is also a compact operator from to . Since the homogeneous equation has in only a trivial solution, it follows from the Fredholm alternative that equation has a unique solution . Thus, Problem (14)–(15) possesses a unique solution . □
5. Approximate Solutions for (14)–(15)
We construct an approximation to , the exact solution to Problem (14)–(15), as follows. First, we find an approximation for , the exact solution to (20). Let . We introduce on the interval a graded grid, , with the grid points
where is the so-called grading exponent. We see that for , the points (24) are distributed uniformly, but for they are more densely clustered near the left endpoint of the interval .
For a given integer , let denote the set of polynomials of a degree not exceeding k. We introduce the space of piecewise polynomial functions
where is the restriction of function to the subinterval . Observe that the elements of the space may have jump discontinuities at the interior points of .
Let . Let be a fixed system of collocation parameters satisfying
Using these collocation parameters, we introduce m collocation points in each subinterval by the formula
We find the approximation for the exact solution of equation using collocation conditions
where is defined by (25) and . If , then, by , we denote the right limit . If , then, by , we denote the left limit .
The collocation conditions (26) with respect to lead to a system of linear algebraic equations to find , , the exact form of which is determined by the choice of a basis in the space . We can use Lagrange fundamental polynomial representation
where, for and , we set if and
Then, and for every , , . Thus, we obtain a system of linear algebraic equations with respect to the coefficients :
for , , .
6. Convergence Analysis
In this section, we study the convergence and convergence order of our method.
For given , we define the interpolation operator, , by
for any continuous function . If , then, by , we denote the right limit . If , then denotes the left limit . Using operator , the conditions (26) for finding with , , take the form
In order to prove Theorem 2 below, we need Lemmas 2–4. Lemmas 2 and 3 follow from the results of [,] and Lemma 4 follows from [].
Lemma 2.
The operators, , , belong to the space and
with a positive constant c, which is independent of N. Moreover, for every , we have
Lemma 3.
Let be a linear compact operator. Then,
Lemma 4.
Let , , , , and . Let () be the Riemann–Liouville integral operator of order α. Assume that the collocation points (25) with grid points (24) and parameters satisfying are used. Moreover, assume that are such that a quadrature approximation
with appropriate weights is exact for all polynomials F of degree m.
Then
where c is a positive constant independent of N and
Theorem 2.
Let the assumptions of Theorem 1 be fulfilled. Let , , and assume that the collocation points (25) with parameters satisfying and grid points (24) are used. Moreover, assume that parameters are chosen so that quadrature approximation (31) with appropriate weights is exact for all polynomials F of degree m. Then, the following statements are fulfilled.
- (i)
- (ii)
Proof.
(i) Existence and uniqueness are already proven in Theorem 1; thus, we only need to prove the convergence (33). We note that is a compact operator from to (see Lemma 1), thus also from to . Using the same proof idea as in Theorem 1, we can show that equation possesses a unique solution . In other words, operator is invertible in and its inverse is bounded: . From this and Lemma 3, we obtain that for all sufficiently large N, we can say that
Therefore, operator is invertible in for sufficiently large N and
where c is a constant independent of N. Thus, for , Equation (30) has a unique solution, , where for every . For and , the solution to equation , we see that
Therefore, by (35),
where c is a positive constant independent of N. It follows from (18), (29), (36), and Lemma 1 that
where is a positive constant independent of N. Using Lemma 2, we see that convergence (33) holds.
(ii) It follows from Theorem 1 part (ii) (with ) that Problem (14)–(15) has a unique solution, such that . From the proof of part (i), we know that there exists an integer , such that for , Equation (30) has a unique solution , where for every , . Denote
With the help of (30), we see that , and therefore we obtain from (37) the following equation with respect to :
Since , it follows from (38) for every that
We know from the proof of part (i) that is invertible in for sufficiently large N and for all . Thus, there exists also the inverse of in for and
Using (39), (40), (35), and Lemma 2, we obtain
where c is a positive constant independent of N. From the definition of the operator we see that
and therefore,
where and are some positive constants independent of N. Due to , we obtain
This leads to the estimate
where is a constant that is independent of N and where and are defined with the help of (29) and (18), respectively. Using Lemma 4, we see that the error estimate (34) holds. □
In Theorem 3 below, we present the error estimate of our numerical method for solving Problem (1)–(4). We assume that the data of Problem (1)–(4) satisfies the conditions laid out in Theorem 2.1 in []. Under these assumptions, it follows from [] that Problem (1)–(4) has a unique solution u that satisfies (1)–(4) pointwise, and there exists a constant C, such that
Theorem 3.
Let the solution u to (1)–(4) satisfy the estimates (41) and (42). Let the assumptions of Theorem 2 be fulfilled. Then, the following error estimate holds:
Here, (), is defined by (32), , κ is given by formula (23), r is a grading exponent given in (25), is given by (29), and c is a positive constant that is independent of n and N.
Proof.
It follows from (9) and Theorem 2 that for , we have
Note that are fixed points defined by our numerical method, but t belongs to . □
7. Numerical Experiments
7.1. Example 1
Consider the equation
for with
We see that (43)–(46) is a problem of the form (1)–(4), where , , , , and for . The exact solution to (43)–(46) is given by
Let , . We introduce a uniform mesh on the interval with gridpoints , where . Using the space-variable discretization described in Section 3, we obtain a system of fractional differential equations in the form (11) with initial conditions (12) and functions
It is easy to see that functions belong to , with and arbitrary . Therefore, by (23),
Approximations for for the solution to Equation (20) are found using grid points (24) and collocation points (25), where
and
are collocation parameters. Note that (47) and (48) are actually the knots of the m-point Gaussian quadrature approximation for and , respectively (see, e.g., []). Finally, based on , the approximate solutions, , to (11) and (12) are found.
We present, in the tables below, some results of numerical experiments for different values of parameters n, m, N, and r. The errors, , are calculated as follows:
where u is the exact solution to (43)–(46) and
with the gridpoints, , defined by (24). In Table 1 and Table 2, the ratios
characterizing the observed convergence rate, are presented. Using (32), we see that for ,
Based on Theorem 3 and (51), ratios for and for , , and ought to be , , and , respectively. These values are given in the last row of Table 1. The numerical results in Table 1 indicate that the order of convergence of the method for is based on , which dominates the component of the error in Theorem 3.
Using (32), we see that for ,
Based on Theorem 3 and (52), ratios for and for and ought to be and , respectively. The numerical results in Table 2 indicate that the order of convergence of the method for and is based on , which dominates the component of the error in Theorem 3. For , the component dominates the component of the error in Theorem 3 and therefore the ratio ought to be . The obtained values for the ratios are given in the last row of Table 2.
7.2. Example 2
Consider the equation
for with
We see that (53)–(56) is a problem of the form (1)–(4), where , , , , for , for . The exact solution to (53)–(56) is given by
To find the numerical solution to (53)–(56), we use the same approach as described in Example 1. For any uniform mesh on the interval with gridpoints , where , functions
belong to , with and arbitrary . Therefore, by (23),
We present, in the tables below, some results of numerical experiments for different values of parameters n, m, N, and r. The errors, , are calculated by (49), where u is the exact solution to (53)–(56). For Table 3 and Table 4, the ratios, , are defined by (50). Using (32), we see that for ,
Based on Theorem 3 and (58), ratios for and for , , and ought to be , , and , respectively. These values are given in the last row of Table 3. The numerical results in Table 3 indicate that the order of convergence of the method for is based on , which dominates the component of the error in Theorem 3.
Using (32), we see that for ,
Note that for Equation (53), we have in (9). Based on Theorem 3 and (59), ratios for and for , , and ought to be , , and , respectively. These values are given in the last row of Table 4.
The numerical results in Table 4 indicate that the order of convergence of the method is based on .
Finally, we consider what happens when , n is equal to 128, and
. The ratios, , in Table 5,
characterizing the observed convergence rate, are also presented. Based on Theorem 3 and (59), ratios for and for , , and ought to be , , and , respectively. These values are given in the last row of Table 5.
We see that all of the performed numerical experiments are in good accordance with the theoretical results. The numerical experiments were performed by writing the code in Python.
8. Conclusions
In the present paper, we have introduced and analyzed a high-order numerical method for solving time-fractional diffusion equations containing Caputo fractional derivatives. By using the technique of the method of lines, we have developed from the original problem a system of fractional ordinary differential equations, which we have reformulated as a system of weakly singular integral equations. We have proven a result concerning the existence, uniqueness, and regularity of the solution to this system of integral equations (Theorem 1). On the basis of these results, we have constructed and analyzed an effective numerical method with the help of specially graded grids and spline collocation techniques (Theorems 2 and 3) and have confirmed the validity of the theoretical error estimates with several numerical experiments.
Author Contributions
Conceptualization, K.L., A.P., H.B.S. and M.V.; Investigation, K.L., A.P., H.B.S. and M.V.; Writing—review & editing, K.L., A.P., H.B.S. and M.V. All authors contributed equally to this work. All authors have read and agreed to the published version of the manuscript.
Funding
This research was supported by Estonian Research Council grant number PRG864.
Data Availability Statement
Data is contained within the article.
Acknowledgments
We thank the reviewers for their remarks and suggestions.
Conflicts of Interest
The authors declare no conflict of interest.
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