D. Ahila Jeyanthi^*, T. M. Selvarajan

Intelligent Automation & Soft Computing, Vol.33, No.1, pp. 669-680, 2022, DOI:10.32604/iasc.2022.022187

Abstract The molecular structures are modelled as graphs which are called the molecular graphs. In these graphs, each vertex represents an atom and each edge denotes covalent bond between atoms. It is shown that the topological indices defined on the molecular graphs can reflect the chemical characteristics of chemical compounds and drugs. A large number of previous drug experiments revealed that there are strong inherent connections between the drug’s molecular structures and the bio-medical and pharmacology characteristics. The forgotten topological index is introduced to be applied into chemical compound and drug molecular structures, which is quite helpful for medical and pharmaceutical… More >

Wei Lu¹, Guanghui Yuan¹, Hao Yang^2,*, Hongrun Yang¹, Xin Zhao³, Qian Zhang⁴

Intelligent Automation & Soft Computing, Vol.30, No.2, pp. 689-699, 2021, DOI:10.32604/iasc.2021.020075

Abstract In view of the characteristics of the numerical simulation results of the nuclear reactor core, including the regular structures, multiple geometry duplications, large-scale grids, and the demand for refined expression of calculation results, a mesh generation method based on Delaunay triangulation was used to solve the restructuring and visualizing problem of core three-dimensional (3D) data fields. In this work, data processing and visualization of the three-dimensional refined calculation of the core were accomplished, using the triangular mesh model, hash matching algorithm, 3D visualization technology, etc. Descriptions are also given for key issues such as Delaunay triangular mesh construction, the geometric… More >

Yanlong Zhang¹, Yanhui Zhou², Jiming Wu^3,*

CMES-Computer Modeling in Engineering & Sciences, Vol.127, No.2, pp. 487-514, 2021, DOI:10.32604/cmes.2021.014950

Abstract In this article, we study a 2D nonlinear time-fractional Rayleigh-Stokes problem, which has an anomalous sub-diffusion term, on triangular meshes by quadratic finite volume element schemes. Time-fractional derivative, defined by Caputo fractional derivative, is discretized through formula, and a two step scheme is used to approximate the time first-order derivative at time , where the nonlinear term is approximated by using a matching linearized difference scheme. A family of quadratic finite volume element schemes with two parameters are proposed for the spatial discretization, where the range of values for two parameters are , . For testing the precision of numerical… More >

Erdem Yavuz^1,∗, Rıfat Yazıcı², Mustafa Cem Kasapba¸sı², Turgay Tugay Bilgin¹

Computer Systems Science and Engineering, Vol.34, No.6, pp. 339-355, 2019, DOI:10.32604/csse.2019.34.339

Abstract This study proposes an efficient algorithm for improving flattening result of triangular mesh surface patches having a convex shape. The proposed approach, based on barycentric mapping technique, incorporates a dynamic virtual boundary, which considerably improves initial mapping result. The dynamic virtual boundary approach is utilized to reduce the distortions for the triangles near the boundary caused by the nature of convex combination technique. Mapping results of the proposed algorithm and the base technique are compared by area and shape accuracy metrics measured for several sample surfaces. The results prove the success of the proposed approach with respect to the base… More >

Sanderson L. Gonzaga de Oliveira¹, Mauricio Kischinhevsky², João Manuel R. S. Tavares³

CMES-Computer Modeling in Engineering & Sciences, Vol.95, No.2, pp. 119-141, 2013, DOI:10.3970/cmes.2013.095.119

Abstract A novel graph-based adaptive mesh refinement technique for triangular finite-volume discretizations in order to solve second-order partial differential equations is described. Adaptive refined meshes are built in order to solve timedependent problems aiming low computational costs. In the approach proposed, flexibility to link and traverse nodes among neighbors in different levels of refinement is admitted; and volumes are refined using an approach that allows straightforward and strictly local update of the data structure. In addition, linear equation system solvers based on the minimization of functionals can be easily used; specifically, the Conjugate Gradient Method. Numerical and analytical tests were carried… More >

Xiang-YangLi¹, Shang-Hua Teng², Peng-Jun Wan³

CMES-Computer Modeling in Engineering & Sciences, Vol.2, No.1, pp. 97-116, 2001, DOI:10.3970/cmes.2001.002.097

Abstract To conduct numerical simulations by finite element methods, we often need to generate a high quality mesh, yet with a smaller number of elements. Moreover, the size of each of the elements in the mesh should be approximately equal to a given size requirement. Li et al. recently proposed a new method, named biting, which combines the strengths of advancing front and sphere packing. It generates high quality meshes with a theoretical guarantee. In this paper, we show that biting squares instead of circles not only generates high quality meshes but also has the following advantages. It is easier to… More >