A parameter-uniform hybrid scheme designed for multi-point boundary value problems that are perturbed

IF 1.7 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Mathematical Chemistry Pub Date : 2024-06-24 DOI:10.1007/s10910-024-01639-z
Parvin Kumari, Devendra Kumar, Jesus Vigo-Aguiar
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Abstract

The numerical solution of a class of second-order singularly perturbed three-point boundary value problems (BVPs) in 1D is achieved using a uniformly convergent, stable, and efficient difference method on a piecewise-uniform mesh. The presence of a boundary layer(s) on one (or both) of the interval’s endpoints is caused by the presence of the tiny parameter in the highest order derivative. As the perturbation parameter approaches 0, traditional numerical techniques on the uniform mesh become insufficient, resulting in poor accuracy and large blows without the use of an excessive number of points. Specially customised techniques, such as fitted operator methods or methods linked to adapted or fitted meshes that solve essential characteristics such as boundary and/or inner layers, are necessary to overcome this drawback. We developed a fitted-mesh technique in this paper that works for all perturbation parameter values. The monotone hybrid technique, which includes midway upwinding in the outer area and centre differencing in the layer region on a fitted-mesh condensing in the border layer region, is the basis for our difference scheme. In a discrete \(L^\infty \) norm, uniform error estimates are constructed, and the technique is demonstrated to be parameter-uniform convergent of order two (up to a logarithmic factor). To show the effectiveness of the recommended technique and to corroborate the theoretical findings, a numerical example is presented. In practise, the convergence obtained matches the theoretical expectations.

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为受扰动的多点边界值问题设计的参数统一混合方案
利用片状均匀网格上的均匀收敛、稳定和高效差分法,实现了一维二阶奇异扰动三点边界值问题(BVP)的数值求解。在区间的一个(或两个)端点上出现边界层是由于最高阶导数中存在微小参数。当扰动参数趋近于 0 时,均匀网格上的传统数值技术就会变得不足,导致精度不高,并且在不使用过多点数的情况下产生较大的冲击。为克服这一缺点,有必要采用专门定制的技术,如拟合算子方法或与解决边界层和/或内层等基本特征的调整或拟合网格相关的方法。我们在本文中开发了一种适用于所有扰动参数值的拟合网格技术。单调混合技术包括外层区域的中途上卷和层区域的中心差分,它是我们差分方案的基础。在离散(L^\infty \)规范下,构建了均匀误差估计,并证明了该技术是参数均匀收敛的二阶(达到对数因子)。为了展示所推荐技术的有效性并证实理论结论,我们给出了一个数值示例。在实践中,所获得的收敛性符合理论预期。
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来源期刊
Journal of Mathematical Chemistry
Journal of Mathematical Chemistry 化学-化学综合
CiteScore
3.70
自引率
17.60%
发文量
105
审稿时长
6 months
期刊介绍: The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.
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