An approximation method for simulating temperature dependence of Poissonąs ratios of self - expanding auxegens

• Autorzy: Wu H. , Wei G.
• Języki publikacji: EN

Abstrakty

EN

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

EN

Poisson ratio; polymers; self-organized systems; superlattices; auxetics; auxegen; auxeticity

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2004
• Tom: Vol. 10, nr 2
• Strony: 229--234
• Opis fizyczny: Bibliogr. 16 poz., rys., tab.

Twórcy

autor

Wu H.

• 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

Wei G.

• Department of Polymer Science and Engineering, College ofChemistry and Molecular Engineering Peking University, Beijing 100871, People's Republic of China86-10-62754177, fax: [phone]

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