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- W3034115979 abstract "The deepest and most interesting unsolved problem in soft condensed matter physics is the nature of glass formation, and one of the most difficult things to solve the problem is to directly observe its molecular origin. In this study, we combined neutron total scattering, deuterated labelling, and molecular dynamics simulation to visualize the most-probable all-atom positions in atactic polystyrene during the glass formation. We found that the peak at ∼0.6 Å–1 is from the segment–segment interaction, and the peak at 1.4 Å–1 is mainly from the phenyl–phenyl interaction. Below the glass formation temperature, both peaks remain constant in heights and shapes. Their heights jump during glass formation, revealing the melting of the configuration variation and phenyl flipping. The combined approach presented has opened a new route for directly investigating the atomic details in glass formation." @default.
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- W3034115979 date "2020-06-05" @default.
- W3034115979 modified "2023-10-16" @default.
- W3034115979 title "3d Most-Probable All-Atom Structure of Atactic Polystyrene During Glass Formation: A Neutron Total Scattering Study" @default.
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- W3034115979 doi "https://doi.org/10.1021/acs.macromol.0c00788" @default.
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