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Static triplet correlations in glass-forming liquids: A molecular dynamics study | Daniele Coslovich
; | Date: |
21 Dec 2012 | Abstract: | We present a numerical evaluation of the three-point static correlations
functions of the Kob-Andersen Lennard-Jones binary mixture and of its purely
repulsive, Weeks-Chandler-Andersen variant. In the glassy regime, the two
models possess a similar pair structure, yet their dynamics differ markedly.
The static triplet correlation functions S^(3) indicate that the local ordering
is more pronounced in the Lennard-Jones model, an observation consistent with
its slower dynamics. A comparison of the direct triplet correlation functions
c^(3) reveals that these structural differences are due, to a good extent, to
an amplification of the small discrepancies observed at the pair level. We
demonstrate the existence of a broad, positive peak at small wave-vectors and
angles in c^(3). In this portion of k-space, slight, systematic differences
between the models are observed, revealing "genuine" three-body contributions
to the triplet structure. The possible role of the low-k features of c^(3) and
the implications of our results for dynamic theories of the glass transition
are discussed. | Source: | arXiv, 1212.5360 | Services: | Forum | Review | PDF | Favorites |
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