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

M. Siddorn (1) , François-Xavier Coudert (2) , K. E Evans (1) , A. Marmier (1)

1 University of Exeter
2 IRCP - Institut de Recherche de Chimie Paris

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.

Domaines: Chimie théorique et/ou physique; Matériaux

M. Siddorn, François-Xavier Coudert, K. E 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, 2015, 17 (27), pp.17927-17933. ⟨10.1039/C5CP01168J⟩. ⟨hal-02190936⟩