Abstract
The study of neutron behavior and interactions within the core of a nuclear reactor is essential for ensuring criticality control. The most accurate deterministic framework for modeling these phenomena is the Neutron Transport Equation, which, with the exception of stochastic methods such as Monte Carlo, is typically solved using fine-mesh numerical methods. However, such approaches often entail considerable computational costs to achieve high-fidelity results. In this work, we propose a numerical-analytical solution to the one-dimensional, monoenergetic neutron transport equation with isotropic scattering, formulated for eigenvalue problems and employing the discrete ordinates (SN) method. The proposed formulation is presented through a fully explicit and self-contained step-by-step derivation, emphasizing transparency and reproducibility of the numerical-analytical approach. To assess the accuracy and efficiency of the proposed approach, results were compared with those obtained from a purely numerical method developed in this study, as well as with benchmark solutions reported in the literature. In all cases, the proposed method exhibited excellent agreement with reference data, along with a significant reduction in computational time.
Keywords:
Neutron Transport Equation; Numerical-Analytical Solutions; Numerical Methods; Criticality Calculations
Resumo
O estudo do comportamento e das interações dos nêutrons no núcleo de um reator nuclear é essencial para garantir o controle da sua criticalidade. A formulação determinística mais precisa para descrever esses fenômenos é dada pela Equação de Transporte de Nêutrons, a qual, com execeção de métodos estocásticos como Monte Carlo, é tipicamente resolvida por métodos numéricos de malha fina. No entanto, esses métodos geralmente requerem custos computacionais significativos para se obter resultados de alta precisão. Neste estudo, propomos uma solução numérico-analítica para a equação de transporte de nêutrons unidimensional, monoenergética e com espalhamento isotrópico, formulada para problemas de autovalor e utilizando o método das ordenadas discretas (SN). A formulação proposta é apresentada por meio de uma dedução analítica explícita e autocontida, com ênfase na transparência e na reprodutibilidade da abordagem numérico-analítica. Para validar nossa abordagem, os resultados obtidos foram comparados com os de um método puramente numérico desenvolvido neste trabalho e com soluções de referência disponíveis na literatura. Em todos os casos, os resultados obtidos pela solução proposta demonstraram excelente acurácia se comparados com os da bibliografia, além de uma redução substancial no tempo computacional dos cálculos.
Palavras-chave:
Equação de Transporte de Nêutrons; Soluções Numérico-Analíticas; Métodos Numéricos; Cálculo de Criticalidade
1. INTRODUCTION
Nuclear reactor theory focuses on analyzing the behavior of neutrons within the material regions that compose the reactor core. The Neutron Transport Equation (NTE) is widely recognized as the most accurate deterministic formulation for describing such phenomena. However, due to its inherent complexity, even after several approximations, direct solutions remain computationally demanding.
Traditionally, neutron transport problems have been solved using fine-mesh numerical methods, such as the Diamond Difference (DD) scheme. However, numerical-analytical approaches—such as spectral nodal methods introduced by Larsen in 1986—have also been proposed and remain higly relevant. Despite their algebraic and computational complexity, these methods have shown the ability to deliver accurate results with significantly reduced computation times compared to purely numerical techniques.
In order to further advance the study of numerical-analytical solutions for the NTE, this work aims to present the formulation of a solution that encompasses eigenvalue problems in one-dimensional slab geometry, with isotropic scattering, and formulated for monoenergetic cases. The term “numerical-analytical” is used to denote approaches in which the NTE is solved analytically with respect to the spatial variable x, while the angular variable μ is discretized using the discrete ordenates (SN) method. In contrast, the purely numerical methods, such as the DD scheme, are characterized by numerical discretization in both the spatial and angular variables.
In addition to its computational efficiency, a distinguishing feature of the present work is its emphasis on a transparent and fully explicit derivation of the numerical-analytical formulation. Unlike several existing spectral nodal or analytical SN approaches , where key steps are often condensed or presented in implicit form, this study provides a step-by-step construction of the solution. This self-contained presentation is intended to improve clarity, reproducibility, and accessibility of numerical-analytical transport methods, particularly for readers and practitioners seeking to implement such formulations from first principles.
For clarity and simplicity, the mathematical formulation is initially developed for a single homogeneous region with known boundary conditions. This simplified setting allows the fundamental aspects of the numerical-analytical approach to be presented without additional geometric or interface-related complexities. The formulation is subsequently extended to treat multi-region configurations, where region-to-region coupling and continuity conditions are explicitly addressed.
Among the references considered in this work, Lahdour et al. (2019) stands out as a recent study and is used primarily as a benchmark for monoenergetic and multi-region neutron transport calculations. The problem configurations and nuclear data adopted therein provide a consistent basis for assessing the accuracy and efficiency of the numerical-analytical formulation proposed in this study.
2. MATERIALS AND METHODS
The steady-state, monoenergetic, one-dimensional, slab geometry NTE with isotropic scattering, in a domain with uniform material properties and angular discretization via the SN method is given by Equation (1) (DUDERSTADT et al., 1976):
for m=1,…,M, and where M is an even number that denotes the Gauss-Legendre quadrature order (i.e. the number of discretized directions), φm(x) denotes the angular neutron flux along the discrete direction m; μm is the cosine of the angle between direction m and the x-axis; Σt, Σs0 and Σf, respectively, are the total cross-section, the isotropic scattering cross-section, and the fission cross-section of the region; ν is the average number of neutrons produced by fission; ωm, the Gauss-Legendre weight functions; and keff is the effective multiplication factor.
As boundary conditions, we assume known the angular fluxes entering from the left and right boundaries of the region, which has width a. Hereafter, these boundary conditions shall be written, respectively, as φm,l and φm,r, and they correspond to:
These incoming fluxes may be zero, corresponding to vacuum boundary conditions, or may assume other prescribed constant values. In the multi-region formulation, the same expressions are also employed as interface conditions between adjacent regions. In such cases, however, the interface fluxes are not known a priori and must be determined as part of the global iterative solution procedure.
2.1 Numerical-Analytical Solution
The formulation presented in this section follows the standard discrete ordinates (SN) framework used in purely numerical schemes such as the Diamond Difference method, with the angular variable being discretized into a finite set of directions. The key difference lies in the treatment of the spatial variable, which is handled analytically within each homogeneous region, resulting in a numerical-analytical formulation.
By introducing the substitution into equation (1) and expanding it for all values of m, we obtain the following system:
By defining the vectors Ψ(x)≡(φ1(x), …,φM(x))T, μ̅≡(1/μ1, …,1/μM)T and ω≡(ω1, …,ωM)T the system above can be rewritten compactly as:
with
where diag(Σtμ̅) denotes the diagonal and invertible M×M matrix with entries Σt/μm.
Since matrix M defines a linear transformation, we seek solutions of Ψ(x) that satisfy the eigenvalue equation:
That is, solutions of Ψ(x) which, when acted upon by M, become scaled versions of themselves (BOYCE et al., 2015).
Therefore, letting ξ be a constant vector, we assume a solution of the form:
since substituting equation (8) into equation (5) yields:
which satisfies equation (7).
By eliminating the nonzero factor eλx, we can rearrange equation (9) as:
where I is the M×M identity matrix and 0 is the null vector.
Equation (10) admits non-trivial solutions if, and only if, det(M-λI)=0, or:
where 1 is the M×1 vector of ones.
The evaluation of this determinant leads to a characteristic polynomial, p(λ), of order M, whose roots λl (for l=1,…,L) correspond to the eigenvalues of matrix M.
This polynomial can be conveniently constructed by means of the matrix determinant lemma, which states that, if A is an invertible M×M matrix, γ is a scalar, and uvT is the outer product of two M×1 vectors, then det(A+γuvT)=(1+γvTA-1u)det(A). Thus, by considering A≡-diag(Σtμ̅+λ1), γ≡Σ̃, and uvT≡μ̅ωT, one can derive that:
Although the roots λl of this polynomial cannot, in general, be expressed in closed form for M>4 (in accordance with the Abel-Ruffini theorem), they can be readily computed using standard numerical root-finding methods, such as the Newton-Raphson or the secant method. Once obtained, each root/eigenvalue can be substituted into equation (10) to determine their associated eigenvectors, ξl. In general, the number L of distinct eigenvalues satisfies L≤M, whether they are real or in pairs of complex conjugates.
Consequently, the general solution Ψ(x) is a linear combination of all solutions Ψl(x), each associated with an eigenvalue λl. Specifically:
where cl are real constants determined by the boundary conditions of the problem.
In the case of a real eigenvalue, Ψl(x) takes the form:
To generalize the solution Ψl(x) for a complex eigenvalue and its associated complex eigenvector, we first consider the equivalences λl≡αl+iβl and ξl≡Al+iBl and apply them to equation (14), which leads to:
Recalling Euler’s relation eiθ=cosθ+isinθ and considering that the solution must be real and equal to the sum of both its real and imaginary parts (BOYCE et al., 2015), we get the following expression for the complex case:
We now turn to the determination of the constants cl. Let ψml(x) denote the m-th component of a solution Ψl(x), whether it corresponds to a real eigenvalue, as in equation (14), or to a complex eigenvalue, as in equation (16). In this case, we can write:
Taking into account the boundary conditions established in equations (2) and (3), it follows that:
Assuming L=M — a condition satisfied in most practical cases —, equations (18) and (19), written for their respective values of m, give rise to a linear system of order M×M, whose corresponding solution vector contains the constants c1,…,cL. Nonetheless, two additional aspects must be addressed before obtaining definitive values for cl and, consequently, for φm(x).
First of all, this formulation was so far restricted to the case of a single homogeneous region, which allows for a simpler notation and highlights the fundamental aspects of the method. Nevertheless, the procedure can and was meant to be generalized to systems composed of N regions with distinct material properties (e.g., Σtn, Σs0n, Σfn for each region n). In such cases, local solutions φmn(x) must be defined for each region, and several parameters acquire the superscript “n”, including the constants cln. The main additional challenge arises from the interface conditions, which are not directly known for internal regions of the system. That is, except for φm,l1 (∀ μm>0) and φm,rN (∀ μm<0), which are the known boundary conditions, the values of φm,ln and φm,rn are unknown and must be all initially estimated as unity.
However, to ensure continuity of the angular flux across adjacent regions, the outgoing fluxes from the left boundary of region n, φm,ln, must equal the incoming angular fluxes from the right boundary of region n-1, φm,rn-1, for all μm>0. Similarly, the outgoing fluxes from the right boundary of region n, φm,rn, must equal the incoming fluxes from the left boundary of region n+1, φm,ln+1, for all μm<0. The relationship between these interface conditions plays a central role in coupling adjacent regions in both the numerical-analytical formulation and purely numerical methods, and is schematically illustrated in Figure 1.
Thus, after an initial calculation of λln, ξmn,l and cln on a specific region n, the outgoing fluxes from this region can be expressed as:
And, by the continuity of the solutions:
However, after sweeping across all regions, the effective multiplication factor keff remains unknown. In pratice, the first evaluation of the angular fluxes φmn(x) requires an initial estimate keff(0), which is also commonly set to unity. After each global sweep, which constitutes a single iteration, keff is then updated using the Power Iteration Method (ALVIM, 2007), as expressed below:
Note that this update requires the values of Φ̅n, the average scalar flux in region n. The initial estimate Φ̅n(0) is also set to unity for all n, but at the end of each iteration, Φ̅n can be obtained from the following summation:
Here, φ̅mn denotes the average angular flux in region n, which can be computed by applying the averaging operator to φmn(x) over the domain of region n, [-an/2, an/2]:
Using the expression for φmn(x) given in equation (16), φ̅mn can be evaluated as a summation of the average solutions, ψ̅mn,l:
For the case of a real eigenvalue, the averaged solution ψ̅mn,l takes the form:
where ξmn,l is the m-th component of the real eigenvector ξl,n.
In contrast, for complex eigenvalues and eigenvectors, ψ̅mn,l is given by:
where the coefficients Γmn,l e Δmn,l are defined as:
Here, Amn,l and Bmn,l denote the m-th components of the real and imaginary parts, respectively, of the complex eigenvector ξl,n≡Al,n+iBl,n.
The procedure for computing the angular fluxes φmn(x), their averages φ̅mn, the scalar fluxes Φ̅n, and updating keff is repeated over successive iterations until convergence is satisfactorily achieved. Convergence tests are perfomed at the end of each iteration for both Φ̅n and keff, using prescribed max relative errors εΦ̅ and εkeff, respectively.
For Φ̅n, the convergence test consists of:
whereas for keff:
When both criteria are satisfied, the iterative process is terminated.
Finally, it should be noted that the calculation of eigenvalues and eigenvectors must be redone after each iteration for every multiplying region (νΣfn>0), since the term Σ̃n, which is part of the matrix M, depends on keff and is updated along with it.
2.2 Purely Numerical Solution
In order to validate the analytical solutions, we also present a numerical solution for the neutron transport equation, using the principles of the DD Method (Diamond Difference Method) (LEWIS et al., 1984). First, we apply the same averaging operator used in equation (26) to the entire equation (1) within the domain [-an/2, an/2]. However, for the numerical solution, we assume that n corresponds to a subdivision of size an within a region where nuclear parameters remain homogeneous throughout the domain. We will refer to this subdivision as a “node n”.
So, for the averaging operation of the terms of the total cross-section, isotropic scattering, and fission, we can use the definition of φ̅mn given by equation (26) to obtain:
For the escape term, by the Fundamental Theorem of Calculus, we obtain:
So, combining all these integrated terms and remembering, from equations (2) and (3), that φm,ln≡φmn(-an/2) e φm,rn≡φmn(+an/2), respectively, we are left with:
So, if we define the term Qmn as:
we can rewrite equation (36) in two ways:
It is worth noting that, in this numerical solution, just like in the DD Method, the average angular fluxes φ̅mn, included in Qmn, can be approximated using the angular fluxes on each face of node n through the following equation:
With initialized values of φm,rn and φm,ln, we define two sweep directions that allow us to update φm,rn and φm,ln using equations (38) and (39), respectively. In practice:
-
The ‘left → right’ sweep computes the angular fluxes exiting the right face of node n using equation (38).
-
The ‘right → left’ sweep computes the angular fluxes exiting the left face of node n using equation (39).
By applying the same principle of continuity used in the analytical solution, the angular fluxes entering from the left face of node n+1 (in the ‘left → right’ sweep) and those entering from the right face of node n-1 (in the ‘right → left’ sweep) are updated with equations (22) and (23), respectively.
Once these incoming fluxes are determined, we move on to the subsequent nodes (depending on the sweep direction), update φ̅mn and Qmn, and continue calculating the exiting fluxes to be used as incoming fluxes in adjacent nodes. After completing both sweeps, we evaluate Φ̅n using equation (25), update keff with equation (24), and perform convergence tests on Φ̅n and on keff using equations (31) and (32), respectively.
3. RESULTS AND DISCUSSIONS
For the purpose of validating the solution proposed in this article, two computational algorithms were developed in Python—the “Analytical” (which refers to the Numerical-Analytical solution presented in section 2.1) and the “Numerical” (which refers to the Purely Numerical solution presented in section 2.2)—using the Visual Studio Code environment. These algorithms were applied to simulate the three cases defined in problem model 2 of Lahdour et al. (2019). The material configurations for each of the three cases are presented in the figure below.
The nuclear parameters of each region and their properties are shown in Table 1.
For all cases, vacuum boundary conditions were applied. That is, φm,l1 (∀ μm>0) and φm,rN (∀ μm<0) are all equal to 0. The maximum number of iterations chosen, Kmax, was 105. The convergence criteria for the scalar flux and keff, εΦ̅ and εkeff, respectively, were both established as 10-9. The quadrature order used in the calculations was S300, as in Lahdour et al. (2019).
Theoretically, the analytical solution would require no more than one node per region, but due to overflow issues in the exponential terms during the calculations, the results reported in Tables 2 and 3, specifically for Case 2, were obtained using two nodes per region. For the numerical solution, a total of 500 divisions per region were employed, also in accordance to Lahdour et al. (2019).
The results obtained in the calculation of keff using the analytical and numerical solutions developed in this work were compared with those obtained by Lahdour et al. (2019) through the CP (Collision Probability), SN (DD with SN Method), MOC (Method of Characteristics) and GFM (Green Function Method) approaches, for the three cases under consideration. These comparisons are summarized in Table 2:
Table 3 presents a comparison between the computational times and the number of outer iterations required by the numerical-analytical and purely-numerical solutions developed in this work. For this comparison, the quadrature order used in the calculations was S16, since extremely high quadrature orders such as S300 are not representative of typical reactor calculations and lead to unnecessarily large computational costs.
Figures 3, 4, and 5 present the neutron flux distributions corresponding to Cases 1, 2, and 3, respectively. In the analytical solution, five interpolation points per region were employed to improve the clarity of the plots.
Tables 2 and 3, as well as Figures 3, 4, and 5, demonstrate satisfactory results regarding both in the validation against reference calculations and the significant relative improvement between the numerical-analytical and the purely numerical solutions.
4. CONCLUSION
In this work, a numerical-analytical solution was developed for the one-dimensional, monoenergetic neutron transport equation with isotropic scattering, employing the discrete ordinates (SN) method for eigenvalue problems, together with a purely numerical approach based on the Diamond Difference (DD) method.
The numerical-analytical and the purely numerical solutions proposed in this study were compared with the reference results reported by Lahdour et al. (2019). The comparisons showed that the obtained results are highly accurate. Since the accuracy of the numerical-analytical solution is independent of the size of the homogeneous region, it was possible to employ much coarser meshes, thereby reducing computational time and the number of iterations required, as evidenced in Table 3, when compared to the purely numerical method presented herein.
This reduction in computational effort is particularly relevant for engineering design applications, where large numbers of transport calculations must be performed repeatedly. In such contexts, improvements in computational efficiency may lead to substantial time savings in practical reactor analysis and design workflows.
The perspective for future work is to extend the use of numerical-analytical solutions for the neutron transport equation to the multigroup energy formulation, as well as to two-dimensional and/or three-dimensional cases, especially to geometries of practical relevance, such as cylindrical configurations.
Funding
DATA AVAILABILITY STATEMENT
Interview transcripts and qualitative data are not publicly available due to confidentiality commitments made to research participants. Aggregated data supporting the findings are available from the corresponding author upon reasonable request and subject to participant privacy protections.
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Source: The authors.Coupling between distinct regions.
Source: The authors.Core configurations for Cases 1, 2, and 3.
Source: The authors.Neutron scalar flux for case 1
Source: The authors.Neutron scalar flux for case 2.
Source: The authors.Neutron scalar flux for case 3.