Relation between Rotational and Translational Dynamic Heterogeneities in Water
arXiv:cond-mat/0507660 · doi:10.1103/PhysRevLett.96.057803
Abstract
We use molecular dynamics simulations to probe the rotational dynamics of the SPC/E model of water for a range of temperatures down to 200 K, 13 K above to the mode coupling temperature. We find that rotational dynamics is spatially heterogeneous, i.e., there are clusters of molecules that rotate significantly more than the average for a given time interval, and we study the size and the temporal behavior of these clusters. We find that the position of a rotational heterogeneity is strongly correlated with the position of a translational heterogeneity, and that the fraction of molecules belonging to both kinds of heterogeneities increases with decreasing temperature. We further find that although the two types of heterogeneities are not identical, they are related to the same physical picture.
10 pages
References in corpus (2)
Cited by in corpus (29)
- Fractional Stokes-Einstein and Debye-Stokes-Einstein relations in a network forming liquid
- Ice is Born in Low-Mobility Regions of Supercooled Liquid Water
- Coupling/decoupling between translational and rotational dynamics in a supercooled molecular liquid
- Ice Formation on Kaolinite: Insights from Molecular Dynamics Simulations
- Origin of subdiffusion of water molecules on cell membrane surfaces
- Computational probes of molecular motion in the Lewis and Whanstrom model for ortho-terphenyl
- Distribution of Diffusion Constants and Stokes-Einstein Violation in supercooled liquids
- Tracking Rotational Diffusion of Colloidal Clusters
- Spurious violation of the Stokes-Einstein-Debye relation in supercooled water
- Cluster Monte Carlo and numerical mean field analysis for the water liquid--liquid phase transition
- Thermodynamic and Dynamic Anomalies for Dumbbell Molecules Interacting with a Repulsive Ramp-Like Potential
- The Collective Burst Mechanism of Angular Jumps in Liquid Water
- Effects of Shape on Interaction Dynamics of Tetrahedral Nanoplastics and the Cell Membrane
- Frustration of the isotropic-columnar phase transition of colloidal hard platelets by a transient cubatic phase
- Molecular Dynamics Simulation of Water between Metal Walls under Electric Field: Dielectric Response and Dynamics after Field Reversal
- The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective
- How glassy are orientational dynamics of rodlike molecules near the isotropic-nematic transition?
- Orientational glass in mixtures of elliptic and circular particles: Structural heterogeneities, rotational dynamics, and rheology
- Brownian motion of ellipsoidal particles on a granular magnetic bath
- Self-organization of supercooled liquids confined inside nano-porous materials
- Dynamics of Uniaxial-to-Biaxial Nematics Switching in Suspensions of Hard Cuboids
- Rotational Taylor dispersion in linear flows
- Molecular motion at the experimental glass transition
- Structural (dis)order and dynamic propensity in a mildly undercooled glass-forming liquid: Spatial correlations and the role of crystalline environments
- Self-induced spontaneous transport of water molecules through a symmetrical nanochannel by ratchetlike mechanism
- How to quantify long-time rotational motion in molecular systems
- Non-Gaussian Rotational Diffusion and Swing Motion of Dumbbell Probes in Two Dimensional Colloids
- Spontaneous Directional Motion of Shaped Nanoparticle
- Coupling and decoupling between translational and rotational dynamics in a tetrahedral molecular liquid