{"title":"Fast high-order linearized exponential methods for efficient simulation of 2D time-fractional Burgers equation in polymer solution dynamics","authors":"Himanshu Kumar Dwivedi, Rajeev","doi":"10.1007/s10910-024-01682-w","DOIUrl":null,"url":null,"abstract":"<div><p>This study focuses on crafting and examining the high-order numerical technique for the two-dimensional time-fractional Burgers equation(2D-TFBE) arising in modelling of polymer solution. The time derivative of order <span>\\({\\alpha }\\)</span> in the equation (where <span>\\(\\alpha \\in (0,1)\\)</span>) is approximated using the fast <img> scheme, while space derivatives are discretized via a tailored finite point formula (TFPF) which relies on exponential basis. This method uses exponential functions to simultaneously fit the local solution’s properties in time and space, serving as basis functions within the TFPF framework. The analysis of convergence and stability of the method are rigorously examined theoretically and these are supported by the numerical examples showcasing its applicability and accuracy. It is proven that the method is unconditionally stable and maintains an accuracy of order <span>\\({\\mathcal {O}}(\\tau ^2+h_{\\varkappa }+h_y+\\epsilon + \\varepsilon ^{-2}e^{-\\frac{\\beta _{n,m}^{k+1}}{2\\varepsilon ^2}}+e^{-\\gamma _0\\frac{h}{\\varepsilon }} )\\)</span>, where <span>\\(\\tau \\)</span> represents the temporal step size, and <span>\\(h_{\\varkappa }\\)</span> and <span>\\(h_y\\)</span> are spatial step sizes. Computational outcomes align well with the theoretical analysis. Furthermore, when compared to the standard <img> scheme, our method attains the same level of accuracy with significantly lowering computational demands and minimizing storage requirements. This proposed numerical scheme has higher convergence rate and significantly minimizes consumed CPU time compared to other methods.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"596 - 625"},"PeriodicalIF":1.7000,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Mathematical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10910-024-01682-w","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
This study focuses on crafting and examining the high-order numerical technique for the two-dimensional time-fractional Burgers equation(2D-TFBE) arising in modelling of polymer solution. The time derivative of order \({\alpha }\) in the equation (where \(\alpha \in (0,1)\)) is approximated using the fast scheme, while space derivatives are discretized via a tailored finite point formula (TFPF) which relies on exponential basis. This method uses exponential functions to simultaneously fit the local solution’s properties in time and space, serving as basis functions within the TFPF framework. The analysis of convergence and stability of the method are rigorously examined theoretically and these are supported by the numerical examples showcasing its applicability and accuracy. It is proven that the method is unconditionally stable and maintains an accuracy of order \({\mathcal {O}}(\tau ^2+h_{\varkappa }+h_y+\epsilon + \varepsilon ^{-2}e^{-\frac{\beta _{n,m}^{k+1}}{2\varepsilon ^2}}+e^{-\gamma _0\frac{h}{\varepsilon }} )\), where \(\tau \) represents the temporal step size, and \(h_{\varkappa }\) and \(h_y\) are spatial step sizes. Computational outcomes align well with the theoretical analysis. Furthermore, when compared to the standard scheme, our method attains the same level of accuracy with significantly lowering computational demands and minimizing storage requirements. This proposed numerical scheme has higher convergence rate and significantly minimizes consumed CPU time compared to other methods.
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.