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| Type |
Poster Presentation |
| Area |
물리화학 |
| Room No. |
포스터발표장 |
| Time |
4월 20일 (목요일) 11:00~12:30 |
| Code |
PHYS.P-41 |
| Subject |
A Simulation Study on the Structural Motif and the Translation-Rotation Decoupling in Glass-Forming Liquids |
| Authors |
박윤재, 성봉준*
서강대학교 화학과, Korea
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| Abstract |
Glass transition, which is a transition from liquid to amorphous solid, has been investigated for ages. There is, however, no consensus on the origin and the nature of the glass transition. Some suggest that the glass transition should result from a kinetic trap while others argue that a structural motif exists and plays an important role according to a thermodynamic viewpoint. In this work, we investigate the presence and the effect of the structural motif upon the glass transition by employing tracers, especially their translation-rotation decoupling behaviors. Because of the lack of structural information in 3D glass formers, it is hard to identify the local structural motif. Here, we use the topological cluster classification to identify the energy minimum clusters and perform molecular dynamics simulations of Wahnström binary Lennard-Jones colloids with tracers of three different shapes, i.e., icosahedron, FCC, and HCP. For icosahedron tracers, a long-lived locally favorable structure, the translation-rotation decoupling occurs and the high fraction of neighboring particles of the same structure suppresses the rotation more compared to the translation. For other types of tracers, the decoupling is not significant compared to the icosahedron tracer. The difference in the decoupling behavior between different types of tracers indicates that there should be the structural motif during the glass transition. |
| E-mail |
dbswo9396@hanmail.net |
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119th General Meeting of the KCS