Dynamical Heterogeneities in a Supercooled Lennard-Jones Liquid

Journal Article · Wed Oct 01 00:00:00 EDT 1997 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.79.2827· OSTI ID:632681

Kob, W ^[1]; Donati, C; Glotzer, S C ^[2]; Plimpton, S J ^[3]; Poole, P H ^[4]

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1. Institut fuer Physik, Johannes Gutenberg-Universitaet, Staudinger Weg 7, D-55099 Mainz (Germany)
2. Center for Theoretical and Computational Materials Science, and Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)
3. Parallel Computational Sciences Department, Sandia National Laboratory, Albuquerque, New Mexico 87185-1111 (United States)
4. Department of Applied Mathematics, University of Western Ontario, London, Ontario, N6A 5B7 (CANADA)

We present the results of a molecular dynamics computer simulation study in which we investigate whether a supercooled Lennard-Jones liquid exhibits dynamical heterogeneities. We evaluate the non-Gaussian parameter for the self part of the van Hove correlation function and use it to identify {open_quotes}mobile{close_quotes} particles. We find that these particles form clusters whose sizes grow with decreasing temperature. We also find that the relaxation time of the mobile particles is significantly shorter than that of the average particle, and that this difference increases with decreasing temperature. {copyright} {ital 1997} {ital The American Physical Society}

• OSTI ID: 632681
• Journal Information: Physical Review Letters, Vol. 79, Issue 15; Other Information: PBD: Oct 1997
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
LIQUIDS
STRUCTURAL MODELS
LENNARD-JONES POTENTIAL
MOLECULAR DYNAMICS METHOD
COMPUTERIZED SIMULATION
HETEROGENEOUS EFFECTS
VAN HOVE MODEL
RELAXATION TIME
CORRELATION FUNCTIONS