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Issue 12, 2017
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Phase transformation in two-dimensional crystalline silica under compressive loading

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Abstract

Using molecular dynamics simulations, we report a novel phase transformation from the hexagonal structure to the distorted structure in two-dimensional (2D) crystalline bilayer silica under uniaxial compression. In particular, the transformed distorted structures are found to be topographically different when the 2D silica is compressed in the zigzag and armchair directions, respectively. The compression-induced phase transformation has important implications for the physical responses of 2D silica. It is shown that the Young's modulus, Poisson's ratio and thermal conductivity of 2D silica are all greatly reduced after it transitions from the parent hexagonal phase to the transformed distorted phase. Moreover, we also find that the aforementioned material properties of 2D silica become strongly anisotropic after the phase transformation, in contrast to the isotropic material properties observed in the parent hexagonal phase of 2D silica.

Graphical abstract: Phase transformation in two-dimensional crystalline silica under compressive loading

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Publication details

The article was received on 13 Jan 2017, accepted on 27 Feb 2017 and first published on 03 Mar 2017


Article type: Paper
DOI: 10.1039/C7CP00273D
Citation: Phys. Chem. Chem. Phys., 2017,19, 8478-8484
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    Phase transformation in two-dimensional crystalline silica under compressive loading

    J. Zhang, Phys. Chem. Chem. Phys., 2017, 19, 8478
    DOI: 10.1039/C7CP00273D

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