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/10.1088/0953-8984/23/23/235103Additional 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