Structural instability of uniaxially compressed α-quartz |
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Authors: | Sundararaman Subramanian Sidney Yip |
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Abstract: | We report a molecular dynamics simulation study of stress–strain response of single crystal α-quartz under uniaxial compression using the interatomic potential of van Beest et al. [Phys. Rev. Lett. 64 (1990) 1955]. The results at 1073 K shows an abrupt onset of large deformation of 14 GPa and subsequent time-dependent evolution of an “amorphous” structure with near-planar character. We regard this to be a lattice instability leading to structural failure, to be distinguished from a similar instability observed under hydrostatic loading which results in a phase change. The simulation results allow us to suggest new interpretations of experimental observations with regard to the formation of thin zones of isotropic (glassy) material along faults and a possible mechanism for planar fracture. |
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