ArticlePolymers2021
The Relationship between Free Volume and Cooperative Rearrangement: From the Temperature-Dependent Neutron Total Scattering Experiment of Polystyrene.
Article in Polymers, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Mechanistic Study of Atomic Oxygen Erosion on Polyimide Under Electric Fields: A Molecular Dynamics and Density Functional Theory Approach.Molecules (Basel, Switzerland) · 2024Article
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Authors and funding
6 authors.
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Abstract
Although many theories have been proposed to describe the nature of glass formation, its microscopic picture is still missing. Here, by a combination of neutron scattering and molecular dynamics simulation, we present the temperature-dependent atomic structure variation of polystyrene at the glass formation, free volume and cooperative rearrangement. When it is close to glass formation, the polymer is confined in tubes, whose diameter is the main chain-main chain distance, in a "static cage" from its neighbors. This definition can not only account for the kinetic pathway dependence of Williams-Landel-Ferry (WLF) free volume, but also be testified in a set of six polymers. However, the free volume which allows a monomer to move cannot be found in any frame of its real-space image. Monomers, thus, have to move cooperatively to be out of the cage. During glass formation, dynamic heterogeneity develops, and string-like cooperative rearrangement region (CRR) grows over a long range of time and length scales. All of these CRRs tend to walk through loose "static cages". Our observation unifies the concepts of free volume and cooperative rearrangement. The former is a statistical average leading to a polydisperse "static cage" formation; while a loose "static cage" provides the way that CRRs move.
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