A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

Abstract : Single crystals can commonly have negative Poisson's ratio in a few directions; however more generalised auxeticity is rarer. We propose a typology to distinguish auxetic materials. We characterise numerous single crystals and demonstrate that partial auxeticity occurs for around 37%. We find average auxeticity to be limited to α-cristobalite and no example of complete auxeticity. We simulate two hundreds pure silica zeolites with empirical potentials and quantum chemistry methods, and for the first time identify complete auxeticity in a zeolite network, JST.
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Submitted on : Tuesday, July 23, 2019 - 10:31:57 AM
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M. Siddorn, François-Xavier Coudert, K. Evans, A. Marmier. A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (27), pp.17927-17933. ⟨10.1039/C5CP01168J⟩. ⟨hal-02190936⟩

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