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.
F. X. Coudert
K. E. Evans
Arnaud Marmier Arnaud.Marmier@uwe.ac.uk
Senior Lecturer in Mechanical Engineering
© 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.
Siddorn, M., Coudert, F. X., Evans, K. E., & Marmier, A. (2015). A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST. Physical Chemistry Chemical Physics, 17(27), 17927-17933. https://doi.org/10.1039/c5cp01168j
|Journal Article Type||Article|
|Acceptance Date||Jun 10, 2015|
|Publication Date||Jul 21, 2015|
|Journal||Physical Chemistry Chemical Physics|
|Publisher||Royal Society of Chemistry|
|Peer Reviewed||Peer Reviewed|
|Keywords||Poisson, silica zeolite|
|Related Public URLs||http://pubs.rsc.org/is/content/articlelanding/2015/cp/c5cp01168|
You might also like
surfinpy: A surface phase diagram generator
Flexibility in MOFs: Do scalar and group-theoretical counting rules work?
Negative linear compressibility in common materials