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

Siddorn, M.; Coudert, F. X.; Evans, K. E.; Marmier, A.

Abstract

© the Owner Societies 2015. 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.

• Journal Article Type: Article
• Acceptance Date: Jun 10, 2015
• Publication Date: Jul 21, 2015
• Deposit Date: Jun 13, 2016
• Publicly Available Date: Jun 21, 2016
• Journal: Physical Chemistry Chemical Physics
• Print ISSN: 1463-9076
• Electronic ISSN: 1463-9084
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 17
• Issue: 27
• Pages: 17927-17933
• DOI: https://doi.org/10.1039/c5cp01168j
• Keywords: Poisson, silica zeolite
• Public URL: https://uwe-repository.worktribe.com/output/844406
• Publisher URL: http://dx.doi.org/10.1039/C5CP01168J
• Related Public URLs: http://pubs.rsc.org/is/content/articlelanding/2015/cp/c5cp01168
• Contract Date: Jun 13, 2016