Identyfikatory
Warianty tytułu
Języki publikacji
Abstrakty
A combined molecular dynamics and molecular mechanics method has been developed for estimating Poisson's ratios of certain types of molecular auxetics at various temperatures. The temperature dependence of the auxeticity of a special class of molecular auxetics, namely, a self-expanding supramolecular network of auxegens containing alternating phenyl and acetylene links, is studied with use of this approximation method. The simulation results show that as temperature increases from O to 300 K, the auxeticity of the resulting superlattice or van der Waals network of auxegens decreases from the initial self-expandability to two negatively small Poisson ratios on the xoy piane.
Słowa kluczowe
Rocznik
Tom
Strony
229--234
Opis fizyczny
Bibliogr. 16 poz., rys., tab.
Twórcy
autor
- Department of Polymer Science and Engineering, College ofChemistry and Molecular Engineering Peking University, Beijing 100871, People's Republic of China
- Beijing Research Institute of Chemical Industry, SINOPEC, Beijing 100013, P. R. China.
autor
- Department of Polymer Science and Engineering, College ofChemistry and Molecular Engineering Peking University, Beijing 100871, People's Republic of China86-10-62754177, fax: 86-10-62751708
Bibliografia
- [1] K. E. Evans and A. Alderson, Adv. Mater. 12, 617 (2000).
- [2] G. Y. Wei, Mater. Rev. (in Chinese) 17, 8 (2003).
- [3] K. W. Wojciechowski, Mol. Phys. 61, 1247 (1987).
- [4] K. W. Wojciechowski, Phys. Lett. A 137, 60 (1989).
- [5] K. W. Wojciechowski, K. V. Tretiakov, and M. Kowalik, Phys. Rev. E 67, 036121 (2003).
- [6] K. E. Evans, M. A. Nkansah, I. J. Hutchinson, and S. C. Rogers, Nature 353, 124 (1991).
- [7] G. Y. Wei, S. F. Edwards, I. J. Hutchinson, W. C. Mackrodt, S. C. Rogers, and K E. Evans, Research Report No. I C 15657 (ICI Chemicals and Polymers, Runcorn, UK) on A Feasibility Study on the Chemical Synthesis of ‘Auxetic’ Materials – A Novel Class of Molecular Networks with -ve Poisson Ratios, 2 September 1991. G. Y. Wei, S. F. Edwards, Research Proposal to ICI Chemicals and Polymers (Runcorn, UK) – Synthesis ofNegative-Poisson-Ratio Molecular Networks, 8 November 1990.
- [8] K. E. Evans, A. Alderson, and F. R. Christian, J. Chem. Soc. Faraday Trans. 91, 2671 (1995).
- [9] J. N. Grima and K. E. Evans, Chem. Commun. 1531 (2000).
- [10] G. Y. Wei, Phys. Stat. Sol. B (in press).
- [11] H. M. Wu and G. Y. Wei, Acta Polvm. Sinica (2), 198 (2004).
- [12] H. M. Wu and G. Y. Wei, Chin. J. Polym. Sci. 22(4), 355 (2004).
- [13] J. H. Weiner, Statistical Mechanics of Elasticity, John Wiley: New York (1983).
- [14] M. Parrinello and A. Rahman, J. Chem. Phys. 76, 2662 (1982).
- [15] A. A. Gusev, M. M. Zehnder, U. W. Suter, Phys. Rev. Rep. B 54, 1 (1996).
- [16] Cerius24.0 User Guide, Property Prediction, Molecular Simulations Inc., San Diego (1999).
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUJ8-0024-0112