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.
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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|Item Type:||Conference Paper|
|Keywords:||Mono-crystalline Metal, Deformation Characterization, Multiscale Modelling, Length Scales|
|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|
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|Deposited On:||07 Mar 2011 07:51|
|Last Modified:||01 Mar 2012 00:30|
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