{"title":"带积分边界条件的分数微分方程的梯度网格积分离散方案","authors":"Zhongdi Cen, Jian Huang, Aimin Xu","doi":"10.1007/s10910-024-01596-7","DOIUrl":null,"url":null,"abstract":"<div><p>In this paper, a fractional differential equation with integral conditions is studied. The fractional differential equation is transformed into an integral equation with two initial values, where the initial values needs to ensure that the exact solution satisfies the integral boundary conditions. A graded mesh based on a priori information of the exact solution is constructed and the linear interpolation is used to approximate the functions in the fractional integral. The rigorous analysis about the convergence of the discretization scheme is derived by using the truncation error estimate techniques and the generalized Grönwall inequality. A quasi-Newton method is used to determine the initial values so that the numerical solution satisfies two integral boundary conditions within a prescribed precision. It is shown that the scheme is second-order convergent, which improves the results on the uniform mesh.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"62 6","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An integral discretization scheme on a graded mesh for a fractional differential equation with integral boundary conditions\",\"authors\":\"Zhongdi Cen, Jian Huang, Aimin Xu\",\"doi\":\"10.1007/s10910-024-01596-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this paper, a fractional differential equation with integral conditions is studied. The fractional differential equation is transformed into an integral equation with two initial values, where the initial values needs to ensure that the exact solution satisfies the integral boundary conditions. A graded mesh based on a priori information of the exact solution is constructed and the linear interpolation is used to approximate the functions in the fractional integral. The rigorous analysis about the convergence of the discretization scheme is derived by using the truncation error estimate techniques and the generalized Grönwall inequality. A quasi-Newton method is used to determine the initial values so that the numerical solution satisfies two integral boundary conditions within a prescribed precision. It is shown that the scheme is second-order convergent, which improves the results on the uniform mesh.</p></div>\",\"PeriodicalId\":648,\"journal\":{\"name\":\"Journal of Mathematical Chemistry\",\"volume\":\"62 6\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2024-04-08\",\"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/s10910-024-01596-7\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Mathematical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10910-024-01596-7","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
An integral discretization scheme on a graded mesh for a fractional differential equation with integral boundary conditions
In this paper, a fractional differential equation with integral conditions is studied. The fractional differential equation is transformed into an integral equation with two initial values, where the initial values needs to ensure that the exact solution satisfies the integral boundary conditions. A graded mesh based on a priori information of the exact solution is constructed and the linear interpolation is used to approximate the functions in the fractional integral. The rigorous analysis about the convergence of the discretization scheme is derived by using the truncation error estimate techniques and the generalized Grönwall inequality. A quasi-Newton method is used to determine the initial values so that the numerical solution satisfies two integral boundary conditions within a prescribed precision. It is shown that the scheme is second-order convergent, which improves the results on the uniform mesh.
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.