Influence of the interfacial interaction strength on the viscoelasticity of hard–soft block copolymer based nanocomposites: a molecular dynamics simulation study
文献信息
Ruiqi Zhao, Yu Wang, Xinglong Gong
The effect of the interaction strength between hard segments (soft segments) and nanofillers on the morphology and viscoelastic mechanical properties of nanocomposites based on hard–soft block copolymers was studied by adopting molecular dynamics simulations. The morphologies of the models studied in this work could be classified into three types, each with distinct mechanical properties. The Payne effect and reinforcement of G′ were successfully reproduced. Two mechanisms responsible for the viscoelastic behaviours were proposed, including damage of hard domains and desorption of polymer chains from the nanofillers. Further, the evolution of the polymer–nanofiller interface and hard domains was examined by monitoring the energy, snapshots, and corresponding microstructure parameters during deformation. The damage of hard domains was in the form of transforming from the compact state to the loose state.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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