An atomistic simulation method combining molecular dynamics with finite element technique

H.A. Wu, G.R. Liu, X. Han and X.X. Wang

Chaos, Solitons & Fractals, 2006, vol. 30, issue 4, 791-796

Abstract: A numerical method that combines molecular dynamics simulation and finite element analysis to simulate the mechanical behaviors of materials and structures at nano-scale is proposed. In this combined method, the initial atomistic model is transformed to continuum model, and an approximate solution is first obtained with the finite element method for the system under the specified boundary conditions and external loadings. Then the deformed continuum model is transformed back to form a new atomistic model, and molecular dynamics simulation is performed to quickly reach the final stable equilibrium state. An example is presented to demonstrate that the combination procedure is valid and efficient. This method can take advantages of both the efficiency of continuum mechanics method and the accuracy of atomistic simulation method.

Date: 2006
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0960077905008192
Full text for ScienceDirect subscribers only

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:chsofr:v:30:y:2006:i:4:p:791-796

DOI: 10.1016/j.chaos.2005.08.161

Access Statistics for this article

Chaos, Solitons & Fractals is currently edited by Stefano Boccaletti and Stelios Bekiros

More articles in Chaos, Solitons & Fractals from Elsevier
Bibliographic data for series maintained by Thayer, Thomas R. ().