DataVXDigest Journal of Nanomaterials and BiostructuresPaper
journal article·2023-03Open access

Elastic properties of SiO2 nanostructure in high-pressure conditions

Astronomy, Astrophysics and Geophysics Research Center, Algeria, Z. Radi, S. Tlili, Development of New and Renewable Energies in Arid and Saharan Zones Laboratory (LARENZA), Department of Physics, Faculty of Mathematics and Material Sciences, Kasdi Merbah Ouargla University, Ouargla 30000, Algeria, K. Layadi, Astronomy, Astrophysics and Geophysics Research Center, Algeria, L. Louail, Laboratory for Studies of Surfaces and Interfaces of Solid Materials (LESIMS), Ferhat Abbas University, Sétif, Algeria., A. Yells-Chaouche, Astronomy, Astrophysics and Geophysics Research Center, Algeria, Y. Madhekour, Laboratory for Studies of Surfaces and Interfaces of Solid Materials (LESIMS), Ferhat Abbas University, Sétif, Algeria., S. Guettouche, Astronomy, Astrophysics and Geophysics Research Center, Algeria

Digest Journal of Nanomaterials and Biostructures· Volume 18· Issue 1
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Abstract

In this study, the elastic properties of two high-pressure polymorphs SiO2 nanostructure, stishovite and CaCl2-type, are obtained using Density Functional Theory in 0-80 GPa high pressure domain at zero temperature, based on reducing an interacting many-electron problem to a single-electron problem. It is shown that below 40 GPa, the stishovite phase is more stable; superior to this limit, the CaCl2-type phase becomes more stable, using Gibbs free energy method. Furthermore, the pressure dependence of the density, volume, bulk, and shear moduli were defined in the selected pressure domain.
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Research context

Nanomaterials

OpenAlex topics: High-pressure geophysics and materials · Boron and Carbon Nanomaterials Research · Advanced ceramic materials synthesis

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