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Molecular Dynamic Study on Entangled Structure of Polymer Chains in Soft Material
Last modified: 2022-06-28
Abstract
It is well known that the mechanical resistance of soft materials such as rubber and elastomer can be improved by cross-linkages or fillers, which will lead to a construction of entangled structure of polymer chains. However, the correlation between the amount of cross-linkages or fillers with the toughness strength of the resultant material has not been clarified. Therefore, in this study, we at first construct a computational model for the resultant material with molecular dynamics method. Then, a series of simulations are performed for the resultant materials with different amount of cross-linkages or fillers under a cyclic loading condition. Finally, the development of entangled structure of polymer chains is investigated and the effect of such development on the toughness strength of soft materials is evaluated.
Keywords
Molecular dynamics method, Polymer chain, Entangled structure, Toughness strength
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