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Coincident molecular auxeticity and negative order parameter in a liquid crystal elastomer
摘要： Auxetic materials have negative Poisson’s ratios and so expand rather than contract in one or several direction(s) perpendicular to applied extensions. The auxetics community has long sought synthetic molecular auxetics – non-porous, inherently auxetic materials which are simple to fabricate and avoid porosity-related weakening. Here, we report, synthetic molecular auxeticity for a non-porous liquid crystal elastomer. For strains above ~0.8 applied perpendicular to the liquid crystal director, the liquid crystal elastomer becomes auxetic with the maximum negative Poisson’s ratio measured to date being -0.74 ± 0.03 – larger than most values seen in naturally occurring molecular auxetics. The emergence of auxeticity coincides with the liquid crystal elastomer backbone adopting a negative order parameter, QB = -0.41 ± 0.01 – further implying negative liquid crystal ordering. The reported behaviours consistently agree with theoretical predictions from Warner and Terentjev liquid crystal elastomer theory. Our results open the door for the design of synthetic molecular auxetics.
关键词： Auxetic materials,Negative order parameter,Negative Poisson’s ratios,Synthetic molecular auxetics,Liquid crystal elastomer
更新于2025-09-10 09:29:36
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Elastic Properties of Fullerites and Diamond-Like Phases
摘要： Diamond-like structures, that include sp2 and sp3 hybridized carbon atoms, are of considerable interest nowadays. In the present work, various carbon auxetic structures are studied by the combination of molecular dynamics (MD) and analytical approach. Two fullerites based on the fullerene C60 and fullerene-like molecule C48 are investigated as well as diamond-like structures based on other fullerene-like molecules (called fulleranes), carbon nanotubes (called tubulanes) and graphene sheets. MD is used to find the equilibrium states of the structures and calculate compliance and stiffness coefficients for stable configurations. Analytical methods are used to calculate the engineering elastic coefficients (Young’s modulus, Poisson’s ratio, shear modulus and bulk modulus), and to study their transformation under rotation of the coordinate system. All the considered structures are partial auxetics with the negative value of Poisson’s ratio for properly chosen tensile directions. It is shown that some of these structures, in a particular tension direction, have a very high Young’s modulus, that is, 1852 GPa for tubulane TA6.
关键词： carbon diamond-like phases,elastic properties,fullerites,molecular dynamics,auxetics
更新于2025-09-04 15:30:14