Molecular dynamics simulations of the structural, mechanical and visco-elastic properties of polymer nanocomposites filled with grafted nanoparticles

Author:

Shen Jianxiang12345,Liu Jun1234,Li Haidong5674,Gao Yangyang1234,Li Xiaolin1234,Wu Youping1234,Zhang Liqun12348

Affiliation:

1. Key Laboratory of Beijing City on Preparation and Processing of Novel Polymer Materials

2. Beijing University of Chemical Technology

3. Beijing 100029

4. P. R. China

5. College of Materials and Textile Engineering

6. Jiaxing University

7. Jiaxing 314001

8. State Key Laboratory of Organic and Inorganic Composite Materials

Abstract

In this work we have adopted coarse-grained molecular dynamics simulations to systematically investigate the effects of the grafting density and the grafted chain length on the structural, mechanical and visco-elastic properties of polymer nanocomposites (PNCs).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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