作者：2. Guisheng Jiao; Taisen Zuo; Changli Ma; Zehua Han; Junrong Zhang; Ye Chen; Junpeng Zhao; He Cheng;
关键字：中子全散射，无序大分子，全原子结构，玻璃化过程
论文来源：期刊
具体来源：Macromolecules 53(13), 5140–5146, 2020
发表时间：2020年

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 direct 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 ?-1 is from the

segment-segment interaction, and the peak at 1.4 ?-1 is mainly from

phenyl-phenyl interaction. Below glass formation temperature, both peaks keep

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 direct investigating the atomic details in glass formation.