A numerical technique based on integrated RBFs for the system evolution in molecular dynamics
Article
Article Title | A numerical technique based on integrated RBFs for the system evolution in molecular dynamics |
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ERA Journal ID | 3460 |
Article Category | Article |
Authors | Mai-Duy, N. (Author), Tran-Cong, T. (Author) and Phan-Thien, N. (Author) |
Journal Title | CMES Computer Modeling in Engineering and Sciences |
Journal Citation | 79 (4), pp. 223-236 |
Number of Pages | 14 |
Year | 2011 |
Place of Publication | Forsyth, GA. United States |
ISSN | 1526-1492 |
1526-1506 | |
Digital Object Identifier (DOI) | https://doi.org/10.3970/cmes.2011.079.223 |
Web Address (URL) | http://www.techscience.com/doi/10.3970/cmes.2011.079.223.html |
Abstract | This paper presents a new numerical technique for solving the evolution equations in molecular dynamics (MD). The variation of the MD system is represented by radial-basis-function (RBF) equations which are constructed using integrated multiquadric basis functions and point collocation. The proposed technique requires the evaluation |
Keywords | molecular dynamics; time evolution equation; numerical solver; radial basis functions |
ANZSRC Field of Research 2020 | 490303. Numerical solution of differential and integral equations |
401204. Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics) | |
401706. Numerical modelling and mechanical characterisation | |
Public Notes | File reproduced in accordance with the copyright policy of the publisher/author. |
Byline Affiliations | Computational Engineering and Science Research Centre |
National University of Singapore | |
Institution of Origin | University of Southern Queensland |
https://research.usq.edu.au/item/q1051/a-numerical-technique-based-on-integrated-rbfs-for-the-system-evolution-in-molecular-dynamics
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