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Locally disrupted synchronization in Langevin molecular dynamics
Andreea I Georgescu1, Samuel J Denny, Emilien Joly
1Physics and Astronomy, University of California Los Angeles, Los Angeles, California 90095, USA.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|September 26, 2012
Summary
Molecular dynamics simulations reveal that stochastic thermostats can synchronize trajectories. Perturbations cause desynchronization that diffuses in infinite systems, with unique behaviors observed in 1D versus 3D lattice dynamics.
Area of Science:
- Computational Physics
- Statistical Mechanics
- Molecular Dynamics
Background:
- Stochastic thermostats in molecular dynamics can lead to trajectory synchronization under specific conditions.
- Synchronization occurs when trajectories, despite different initial conditions, converge to a master trajectory due to identical random forces.
Purpose of the Study:
- To analytically and computationally investigate the spatiotemporal robustness of trajectory synchronization.
- To understand how perturbations affect synchronized trajectories in one and three dimensions.
Main Methods:
- Analytical investigation of system response to local perturbations.
- Molecular dynamics simulations in one and three dimensions.
- Analysis in the strong coupling limit.
Main Results:
- Desynchronization diffuses at long times in infinite systems subjected to local perturbations.
- In 1D, desynchronization propagates and grows over time.
- In 3D, desynchronization remains spatially localized around the perturbation.
Conclusions:
- The dimensionality of the system significantly impacts the behavior of desynchronization.
- Synchronization robustness is sensitive to perturbation type and system dimensionality.
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