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Existence of a Glassy Layer in the Polymer‐ N anosheet Interface: Evidence from Molecular Dynamics
Author(s) -
Gao Yangyang,
Liu Jun,
Zhang Liqun,
Cao Dapeng
Publication year - 2014
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201300127
Subject(s) - nanosheet , polymer , materials science , molecular dynamics , chemical physics , layer (electronics) , work (physics) , glass transition , nanotechnology , chemical engineering , composite material , chemistry , thermodynamics , computational chemistry , physics , engineering
The interfacial polymer‐nanosheet behavior is investigated to fully understand the interfacial interaction mechanism. The emphasis is placed on the discussion whether a “polymer glassy layer” in the proximity of the nanosheet exists or not. Results indicate that a “polymer glassy layer” actually exists near the nanosheet surface for strongly attractive interfacial interaction. Moreover, the glass transition temperatures at different interfacial interactions are explored, and a gradient of polymer chain dynamics near the nanosheet surface is observed. In short, this work provides a valuable reference for understanding polymer‐nanosheet interfacial behavior.