12 April 2012 Molecular modelling of structure and deformation mechanisms of auxetic behaviour in the α-quartz structures
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Proceedings Volume 8409, Third International Conference on Smart Materials and Nanotechnology in Engineering; 840931 (2012) https://doi.org/10.1117/12.923695
Event: Third International Conference on Smart Materials and Nanotechnology in Engineering, 2011, Shenzhen, China
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.
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Yong Tao Yao, Andrew Alderson, Kim Lesley Alderson, "Molecular modelling of structure and deformation mechanisms of auxetic behaviour in the α-quartz structures", Proc. SPIE 8409, Third International Conference on Smart Materials and Nanotechnology in Engineering, 840931 (12 April 2012); doi: 10.1117/12.923695; https://doi.org/10.1117/12.923695
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