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 |
|---|---|
| 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
Download files
Accepted Version
| Mai-Duy_Tran-Cong_Phan-Thien_CMES_2011_AV.pdf | ||
| File access level: Anyone | ||
Other Documentation
| ver_20234.pdf | ||
| File access level: Anyone | ||
2041
total views324
total downloads4
views this month5
downloads this month