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Inherent structures, fragility, and jamming: insights from quasi-one-dimensional hard disks
Mahdi Zaeifi Yamchi1, S S Ashwin2, Richard K Bowles1
1Department of Chemistry, University of Saskatchewan, Saskatoon, Saskatchewan, Canada S7N 5C9.
Summary
This study reveals how hard disks in a quasi-one-dimensional system transition from ideal gas to jammed states. Increasing density shifts configurations to denser basins, impacting fluid properties and dynamics.
Area of Science:
- Physics
- Statistical Mechanics
- Soft Matter Physics
Background:
- Understanding the relationship between inherent structure, thermodynamics, and dynamics is crucial for fluid behavior.
- Quasi-one-dimensional systems offer a simplified yet relevant model for studying complex fluid phenomena.
Purpose of the Study:
- To investigate the connection between the inherent structure landscape, thermodynamic properties, and dynamic behavior of hard disks in a quasi-one-dimensional confinement.
- To map equilibrium fluid configurations to their local jammed structures and analyze landscape sampling with changing volume fraction.
Main Methods:
- Utilized the transfer matrix method for an exact description of the system's landscape and equation of state.
- Analyzed the mapping of fluid configurations to inherent structures and their distribution.
- Investigated the impact of volume fraction on landscape sampling and configurational entropy.
Main Results:
- Identified that ideal gas configurations correspond to the maximum in inherent structure distribution, with jamming occurring at a critical volume fraction.
- Observed a rapid decrease in configurational entropy with increasing volume fraction, followed by a plateau and eventual decrease to zero.
- Detected a crossover from fragile to strong fluid behavior at the heat capacity maximum, linked to structural relaxation mechanisms.
Conclusions:
- Jamming volume fraction and inherent structure landscape dictate fluid behavior and accessibility of jammed states.
- Thermodynamic properties like isobaric heat capacity and inherent structure pressure exhibit unique behavior related to entropy changes.
- Structural relaxation dynamics differ significantly between fragile and strong fluid regimes, influenced by defect interactions and saddle points.
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