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Siddorn, M.; Coudert, F.-X.; Evans, K. E.; Marmier, A. (2015)
Publisher: Royal Society of Chemistry
Languages: English
Types: Article
Subjects:
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.
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • G. N. Greaves, A. Greer, R. Lakes and T. Rouxel, Nature materials, 2011, 10, 823-837.
    • , US Patent 20110209557, 2010.
    • Technol. Biotechnol., 1994, 59, 121-126.
    • A. Alderson, P. Davies, M. Williams, K. Evans, K. Alderson and J. Grima, Molecular Simulation, 2005, 31, 897-905.
    • M. E. Davis and R. F. Lobo, Chem. Mater., 1992, 4, 756-768.
    • Z. A. Lethbridge, R. I. Walton, A. S. Marmier, C. W. Smith and K. E. Evans, Acta Mater., 2010, 58, 6444-6451.
    • F.-X. Coudert, PCCP, 2013, 15, 16012-16018.
    • A. Yeganeh-Haeri, D. J. Weidner and J. B. Parise, Science, 1992, 257, 650-652.
    • Phys., 2008, 128, 184503-184503.
    • Alderson and R. I. Walton, J. Appl. Phys., 2007, 101, 086102.
    • Gorelli and G. Garbarino, PCCP, 2011, 13, 20096-20099.
    • J. Grima, A. Alderson and K. Evans, Phys. Status Solidi B, 2005, 242, 561-575.
    • Status Solidi B, 2007, 244, 866-882.
    • A. Brańka, D. Heyes and K. Wojciechowski, Phys. Status Solidi B, 2009, 246, 2063-2071.
    • Status Solidi B, 2013, 250, 2038-2043.
    • J. F. Nye, Physical properties of crystals, Clarendon press, Oxford, 1985.
    • Parker and K. E. Evans, Comput. Phys. Commun., 2010, 181, 2102-2115.
    • J. P. Watt, G. F. Davies and R. J. O'Connell, Rev. Geophys., 1976, 14, 541-563.
    • Stafstrom, Nature, 1998, 392, 362-365.
    • H. Kimizuka, H. Kaburaki and Y. Kogure, Phys. Rev. Lett., 2000, 84, 5548-5551.
    • J. D. Gale and A. L. Rohl, Molecular Simulation, 2003, 29, 291- 341.
    • Commun., 1984, 19, 1271-1273.
    • J. D. Gale, J. Phys. Chem. B, 1998, 102, 5423-5431.
    • Lett., 1988, 61, 869-872.
    • G. Sastre and J. D. Gale, Chem. Mater., 2003, 15, 1788-1796.
    • B. Van Beest, G. J. Kramer and R. Van Santen, Phys. Rev. Lett., 1990, 64, 1955.
    • A. F. Combariza, D. A. Gomez and G. Sastre, Chem. Soc. Rev., 2013, 42, 114-127.
    • R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V. R. Saunders and C. M. Zicovich-Wilson, Zeitschrift fur Kristallographie, 2005, 220, 571-573.
    • A. D. Becke, J. Chem. Phys., 1993, 98, 5648-5652.
    • S. Grimme, J. Comput. Chem., 2006, 27, 1787-1799.
    • Quantum Chem., 1996, 60, 809-820.
    • H. Ledbetter and A. Migliori, Journal of Applied Physics, 2006, 100.
    • U. Schärer and P. Wachter, Solid State Commun., 1995, 96, 497- 501.
    • Y. Han, Y. Li, J. Yu and R. Xu, Angew. Chem. Int. Ed., 2011, 50, 3003-3005.
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