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Proceedings Paper

Molecular modelling of structure and deformation mechanisms of auxetic behaviour in the α-quartz structures
Author(s): Yong Tao Yao; Andrew Alderson; Kim Lesley Alderson
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Paper Abstract

Force field based simulation has been employed to predict the deformation mechanisms of auxetic nano-materials having tetrahedral framework. The structure of α-quartz was studied in detail for subjecting to uniaxial loading along the Z direction. The cooperative dilation and rotation of tetrahedra acting concurrently were demonstrated to be the main deformation mechanism of α-quartz, confirming previous analytical model. Slight tetrahedral distortion also existed for undeformed and deformed structure.

Paper Details

Date Published: 13 April 2012
PDF: 10 pages
Proc. SPIE 8409, Third International Conference on Smart Materials and Nanotechnology in Engineering, 840931 (13 April 2012); doi: 10.1117/12.923695
Show Author Affiliations
Yong Tao Yao, Harbin Institute of Technology (China)
Univ. of Bolton (United Kingdom)
Andrew Alderson, Univ. of Bolton (United Kingdom)
Kim Lesley Alderson, Univ. of Bolton (United Kingdom)


Published in SPIE Proceedings Vol. 8409:
Third International Conference on Smart Materials and Nanotechnology in Engineering
Jinsong Leng; Yoseph Bar-Cohen; In Lee; Jian Lu, Editor(s)

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