Literature DB >> 18186624

Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids.

D Coslovich1, C M Roland.   

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 < or = m < or = 36) in normal and moderately supercooled states are a unique function of the variable rhogamma/T, where rho 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.

Year:  2008        PMID: 18186624     DOI: 10.1021/jp710457e

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  10 in total

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  10 in total

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