Published June 15, 2011 | Version v1
Journal article

Spatial correlation of the dynamic propensity of a glass-forming liquid

  • 1. Department of Physics, St Francis Xavier University, Antigonish, NS, B2G 2W5 (Canada)

Description

We present computer simulation results on the dynamic propensity (as defined by Widmer-Cooper et al 2004 Phys. Rev. Lett. 93 135701) in a Kob-Andersen binary Lennard-Jones liquid system consisting of 8788 particles. We compute the spatial correlation function for the dynamic propensity as a function of both the reduced temperature T, and the time scale on which the particle displacements are measured. For T ≤ 0.6, we find that non-zero correlations occur at the largest length scale accessible in our system. We also show that a cluster-size analysis of particles with extremal values of the dynamic propensity, as well as 3D visualizations, reveal spatially correlated regions that approach the size of our system as T decreases, consistently with the behavior of the spatial correlation function. Next, we define and examine the 'coordination propensity', the isoconfigurational average of the coordination number of the minority B particles around the majority A particles. We show that a significant correlation exists between the spatial fluctuations of the dynamic and coordination propensities. In addition, we find non-zero correlations of the coordination propensity occurring at the largest length scale accessible in our system for all T in the range 0.466 < T < 1.0. We discuss the implications of these results for understanding the length scales of dynamical heterogeneity in glass-forming liquids.

Availability note (English)

Available from http://dx.doi.org/10.1088/0953-8984/23/23/235103

Additional details

Identifiers

DOI
10.1088/0953-8984/23/23/235103;
PII
S0953-8984(11)74744-0;

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
23
Journal Issue
23
Journal Page Range
[9 p.]
ISSN
0953-8984
CODEN
JCOMEL

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
43007526
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
COMPUTERIZED SIMULATION; COORDINATION NUMBER; CORRELATION FUNCTIONS; CORRELATIONS; FLUCTUATIONS; GLASS; LENNARD-JONES POTENTIAL; LIQUIDS
Descriptors DEC
FLUIDS; FUNCTIONS; POTENTIALS; SIMULATION; VARIATIONS