Structural and dynamical heterogeneity in a glass-forming liquid

Journal Article · Wed Nov 15 00:00:00 EST 2006 · Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

DOI:https://doi.org/10.1103/PHYSREVE.74.050502· OSTI ID:21072337

Matharoo, Gurpreet S; Razul, M S. Gulam; Poole, Peter H ^[1]

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

We use the 'isoconfigurational ensemble' [Phys. Rev. Lett. 93, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass-forming molecular liquid. We show that spatially correlated clusters of low-potential-energy molecules are observable on the time scale of structural relaxation, despite the absence of spatial correlations of potential energy in the instantaneous structure of the system. We find that these structural heterogeneities correlate with dynamical heterogeneities in the form of clusters of low molecular mobility.

• OSTI ID: 21072337
• Journal Information: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 74, Issue 5; Other Information: DOI: 10.1103/PhysRevE.74.050502; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-651X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
COMPUTERIZED SIMULATION
CORRELATIONS
GLASS
LIQUIDS
MOBILITY
MOLECULES
POTENTIAL ENERGY
RELAXATION