Abstract
This work aims to predict the properties of clay-polymer nanocomposites by a combination of molecular modelling and micromechanical model. The interface between clay and polymer matrix is considered when determining the effective size of clay clusters. The effective size of different clusters in nylon 6 and their Young's moduli are determined from molecular dynamics simulation. Then the clay-nylon 6 nanocomposite is considered as a multiphase composite and its Young's modulus is predicted by the rule-of-mixture method. Finally, it is demonstrated that the Young's moduli of nanocomposites with different fractions of effective clay clusters can be predicted.
| Original language | English |
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| Title of host publication | Recent Advances in Structural Integrity Analysis: Proceedings of the International Congress (The APCF/SIF-2014 Congress Uniting: Asian-Pacific Conference on Fracture and Strength (APCFS-2014), International Conference on Structural Integrity and Failure (SIF-2014), Darlington Campus, University of Sydney, Australia, December 9-12, 2014 |
| Publisher | Elsevier |
| Pages | 356-360 |
| Number of pages | 5 |
| ISBN (Print) | 9780081002032 |
| Publication status | Published - 2014 |
| Event | Asian-Pacific Conference on Fracture and Strength - Duration: 9 Dec 2014 → … |
Conference
| Conference | Asian-Pacific Conference on Fracture and Strength |
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| Period | 9/12/14 → … |
Keywords
- nanocomposites
- molecular dynamics
- elasticity
- multiscale modeling
- polymers
- clay