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Published on: December 4, 2017
Probing heterogeneous dynamics from spatial density correlation in glass-forming liquids
Yan-Wei Li1, You-Liang Zhu1, Zhao-Yan Sun2
1State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.
Spatial density correlations, specifically cluster size of densely packed particles (DPPs), reveal dynamical heterogeneity in glass-forming liquids. Particle mobility depends on repulsive interactions, influencing dynamics during relaxation.
Area of Science:
- Condensed Matter Physics
- Computational Materials Science
- Statistical Mechanics
Background:
- Dynamical heterogeneity is a key feature of glass-forming liquids.
- Understanding the link between structure and dynamics is crucial for glass science.
- Traditional pair correlation functions may not fully capture complex dynamics.
Purpose of the Study:
- To investigate the relationship between spatial density correlation and dynamical heterogeneity.
- To evaluate the efficacy of cluster size of densely packed particles (DPPs) versus pair correlation functions.
- To explore model-dependent dynamics in glass-forming liquids.
Main Methods:
- Numerical simulations of glass-forming liquids.
- Analysis of spatial density correlations using DPP cluster size.
- Comparison of particle mobility in Lennard-Jones and Weeks-Chandler-Andersen models.
- Investigation of particle hopping dynamics.
Main Results:
- DPP cluster size effectively differentiates dynamics between LJ and WCA models.
- High local density correlates with slow dynamics for hard repulsions and mobile dynamics for soft repulsions.
- Model-dependent dynamics are linked to DPP hopping motion during the caging stage.
Conclusions:
- DPP cluster size is a superior metric for dynamical heterogeneity compared to pair correlation functions.
- Repulsive interaction nature significantly impacts the relationship between local density and particle mobility.
- Hopping dynamics of DPPs, influenced by particle compressibility, govern relaxation behavior in different models.
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