A coupled meshless technique/molecular dynamics approach for deformation characterization of monocrystalline metal

Gu, YuanTong & Yarlagadda, Prasad K. (2010) A coupled meshless technique/molecular dynamics approach for deformation characterization of monocrystalline metal. In Lu, Jane Wei-Zhen, Leung, Andrew Yee Tak, Lu, Vai Pan, & Mok, Kai Meng (Eds.) Proceedings of the 2nd International Symposium on Computational Mechanics and the 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science, American Institute of Physics, Hong Kong and Macau, China, pp. 354-359.

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This paper presents a multiscale study using the coupled Meshless technique/Molecular Dynamics (M2) for exploring the deformation mechanism of mono-crystalline metal (focus on copper) under uniaxial tension. In M2, an advanced transition algorithm using transition particles is employed to ensure the compatibility of both displacements and their gradients, and an effective local quasi-continuum approach is also applied to obtain the equivalent continuum strain energy density based on the atomistic poentials and Cauchy-Born rule. The key parameters used in M2 are firstly investigated using a benchmark problem. Then M2 is applied to the multiscale simulation for a mono-crystalline copper bar. It has found that the mono-crystalline copper has very good elongation property, and the ultimate strength and Young's modulus are much higher than those obtained in macro-scale.

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ID Code: 40092
Item Type: Conference Paper
Refereed: Yes
Additional URLs:
Keywords: Mono-crystalline Metal, Deformation Characterization, Multiscale Modelling, Length Scales
ISBN: 9780735407787
ISSN: 0094-243X
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Divisions: Past > QUT Faculties & Divisions > Faculty of Built Environment and Engineering
Past > Schools > School of Engineering Systems
Copyright Owner: Copyright 2010 American Institute of Physics
Copyright Statement: Permission is granted to quote from the AIP Conference Proceedings with the customary acknowledgement of the source. Republication of an article or portions thereof (e.g., extensive excerpts, figures, tables etc.) in original form or in translation, as well as other types of reuse (e.g., in course packs) require formal permission from AIP and may be subject to fees. As a courtesy, the author of the original proceeedings article should be informed of any request for republication/reuse. Permission may be obtained online using Rightslink. Locate the article online at http://proceedings.aip.org, then simply click on the Rightslink icon/"Permission for Reuse" link found in the article Abstract. You may also address requests to: AIP Office of Rights and OPermissions, Suite 1NO1, 2 Huntington Quadrangle, Melville, NY 11747-4502, USA or Email: rights@aip.org
Deposited On: 06 Mar 2011 21:51
Last Modified: 29 Feb 2012 14:30

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