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Title: Insights into the thermomechanical and interfacial behaviors of polymer‐clay nanocomposites via coarse‐grained molecular dynamics simulations
Abstract Highlights

CG modeling is performed to explore the thermomechanical behavior of PCN.

Effects of nanoclay weight percentage and size on modulus are studied.

Interface leads to nanoconfinement effect onTgand molecular stiffness.

Correlations between molecular stiffness and modulus are identified.

Simulations show spatial variation of dynamical heterogeneity.

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Author(s) / Creator(s):
 ;  ;  ;  ;  ;  ;  
Publisher / Repository:
Wiley Blackwell (John Wiley & Sons)
Date Published:
Journal Name:
Polymer Composites
Medium: X
Sponsoring Org:
National Science Foundation
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