The Improvement of Generalized Particle Method for Nano-Materials Molecular Dynamics Simulation

Abstract:

Article Preview

A generalized particle molecular dynamics simulation (GP) method has been proposed by J. Fan to solve the multi-scale problems in nano-materials. Although the method has attractive features, its acceleration equivalency hypothesis doesn’t meet the actual situation. In this paper an improved GP method is proposed. It assumes that the potential energy of generalized particles is equal to the potential energy of corresponding atomic groups in nano-materials. The parameters of improved GP method rest with the atomic structural details and corresponding atomic potential energy function. And by using open-source molecular simulation software DL-POLY, an example to compare the MD and the improved GP methods has been proposed, in which the Improved GP method presents sufficient accuracy

Info:

Periodical:

Advanced Materials Research (Volumes 97-101)

Edited by:

Zhengyi Jiang and Chunliang Zhang

Pages:

2159-2162

DOI:

10.4028/www.scientific.net/AMR.97-101.2159

Citation:

Z. Q. Wang et al., "The Improvement of Generalized Particle Method for Nano-Materials Molecular Dynamics Simulation", Advanced Materials Research, Vols. 97-101, pp. 2159-2162, 2010

Online since:

March 2010

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.