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Network topology of the states probed by a glassy polymer during physical aging
- Source :
- Macromolecular Theory and Simulations, 28(6):1900036. Wiley-VCH Verlag
- Publication Year :
- 2019
- Publisher :
- Wiley-VCH Verlag, 2019.
-
Abstract
- Trajectories of a long-chain atactic polystyrene system, obtained from long Molecular Dynamics simulations in the glassy state, are mapped onto a time series of inherent structures of the potential energy landscape. The topology of the network of states formed is analyzed by employing graph-theoretical concepts. It is found that the network of the inherent structures visited by the system in the course of physical aging has both a scale-free and a small-world character. There exist minima acting as highly connected hubs in the network and trench-like sequences of states driving the system from one hub to another. In contrast to previous studies of scale-free networks in other branches of science, where the topology results from the static connectivity of the network's entities, this network is created by adding one-by-one the inherent structures traversed by the system during its evolution in time.
- Subjects :
- Small-world network
topology
Polymers and Plastics
Series (mathematics)
Computer science
Organic Chemistry
Scale-free network
scale-free networks
State (functional analysis)
Condensed Matter Physics
Network topology
Topology
small-world networks
Inorganic Chemistry
Maxima and minima
Molecular dynamics
potential energy landscape
Materials Chemistry
glassy polystyrene
Topology (chemistry)
Subjects
Details
- Language :
- English
- ISSN :
- 10221344
- Volume :
- 28
- Issue :
- 6
- Database :
- OpenAIRE
- Journal :
- Macromolecular Theory and Simulations
- Accession number :
- edsair.doi.dedup.....84ae0497c19c55d8c4f0c15a0d1df9ec