Modified RATTLE method for rigid body dynamics in Cartesian coordinates
文献类型：期刊论文
| 作者 | Chen, Minxin |
| 刊名 | COMMUNICATIONS IN COMPUTATIONAL PHYSICS
 |
| 出版日期 | 2007-06-01 |
| 卷号 | 2期号:3页码:530-544 |
| 关键词 | rigid body dynamics RATTLE method symplectic splitting method Cartesian formulation |
| ISSN号 | 1815-2406 |
| 英文摘要 | In this paper, we describe a modified RATTLE (M-RATTLE) method for rigid body dynamics directly in Cartesian coordinates. The M-RATTLE method introduces a new way of resetting the coordinates to satisfy the constraints at each step, which is designed for the rigid body dynamics calculations in the Cartesian coordinates. M-RATTLE is algebraically equivalent to the RATTLE method and the cost of performing rigid body dynamics by M-RATTLE is independent of the number of constraints. The interaction forces between atoms belonging to the same rigid molecule do not need to be computed and explicit expressions of the constraints of internal degrees of freedom are unnecessary. The performance and sampling results of the proposed method are compared with those of the symplectic splitting method for an isolated rigid benz molecule and for a cluster of twenty-seven benz molecules. |
| 语种 | 英语 |
| WOS记录号 | WOS:000246378800007 |
| 出版者 | GLOBAL SCIENCE PRESS |
| 源URL | [http://ir.amss.ac.cn/handle/2S8OKBNM/4877]  |
| 专题 | 中国科学院数学与系统科学研究院 |
| 通讯作者 | Chen, Minxin |
| 作者单位 | Chinese Acad Sci, Inst Computat Math, Acad Math & Syst Sci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Minxin. Modified RATTLE method for rigid body dynamics in Cartesian coordinates[J]. COMMUNICATIONS IN COMPUTATIONAL PHYSICS,2007,2(3):530-544. |
| APA | Chen, Minxin.(2007).Modified RATTLE method for rigid body dynamics in Cartesian coordinates.COMMUNICATIONS IN COMPUTATIONAL PHYSICS,2(3),530-544. |
| MLA | Chen, Minxin."Modified RATTLE method for rigid body dynamics in Cartesian coordinates".COMMUNICATIONS IN COMPUTATIONAL PHYSICS 2.3(2007):530-544. |
入库方式： OAI收割
来源：数学与系统科学研究院
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