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Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids

Coslovich D
•
Roland CM
2008
  • journal article

Periodico
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Abstract
The manner in which the intermolecular potential u(r) governs structural relaxation in liquids is a long standing problem in condensed matter physics. Herein, we show, in agreement with recent experimental results, that diffusion coefficients for simulated Lennard-Jones m-6 liquids (8 <= m <= 36) in normal and moderately supercooled states are a unique function of the variable p(gamma)/T, where p is density and T is temperature. The scaling exponent gamma is a material specific constant whose magnitude is related to the steepness of the repulsive part of u(r), evaluated around the distance of closest approach between particles probed in the supercooled regime. Approximations of u(r) in terms of inverse power laws are also discussed.
DOI
10.1021/jp710457e
WOS
WOS:000252814700001
Archivio
http://hdl.handle.net/11368/2969167
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-39749127137
Diritti
metadata only access
Web of Science© citazioni
147
Data di acquisizione
Mar 18, 2024
Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
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