Hongmei Wu
Wei Gaoyuan
Poisson ratio, polymers, self-organized systems, superlattices, auxetics, auxegen, auxeticity
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 0 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 plane.
Poznań
OWN
2004.12.13
artykuł
application/pdf
eng
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