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Structural origin of fractional Stokes-Einstein relation in glass-forming liquids
- Source :
- Scientific Reports
- Publication Year :
- 2017
- Publisher :
- Springer Science and Business Media LLC, 2017.
-
Abstract
- In many glass-forming liquids, fractional Stokes-Einstein relation (SER) is observed above the glass transition temperature. However, the origin of such phenomenon remains elusive. Using molecular dynamics simulations, we investigate the break- down of SER and the onset of fractional SER in a model of metallic glass-forming liquid. We find that SER breaks down when the size of the largest cluster consisting of trapped atoms starts to increase sharply at which the largest cluster spans half of the simulations box along one direction, and the fractional SER starts to follows when the largest cluster percolates the entire system and forms 3-dimentional network structures. Further analysis based on the percolation theory also confirms that percolation occurs at the onset of the fractional SER. Our results directly link the breakdown of the SER with structure inhomogeneity and onset of the fraction SER with percolation of largest clusters, thus provide a possible picture for the break- down of SER and onset of fractional SER in glass-forming liquids, which is is important for the understanding of the dynamic properties in glass-forming liquids.
- Subjects :
- Physics
Multidisciplinary
Condensed matter physics
Network structure
Statistics::Other Statistics
02 engineering and technology
021001 nanoscience & nanotechnology
Condensed Matter::Disordered Systems and Neural Networks
01 natural sciences
Article
Glass forming
Molecular dynamics
Percolation theory
Percolation
Stokes einstein
0103 physical sciences
Cluster (physics)
Physics::Chemical Physics
010306 general physics
0210 nano-technology
Glass transition
Subjects
Details
- ISSN :
- 20452322
- Volume :
- 7
- Database :
- OpenAIRE
- Journal :
- Scientific Reports
- Accession number :
- edsair.doi.dedup.....5ef01cffd8e3ce52f23febf8116c56b5