A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST
Siddorn, Mark J.
Evans, Kenneth E.
Physical Chemistry Chemical Physics
Royal Society of Chemistry
Reason for embargo
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.
Engineering and Physical Sciences Research Council (EPSRC)
GENCI-IDRIS HPC resources
Copyright © Royal Society of Chemistry 2015
Vol. 17 (27), pp. 17927-17933