Scaling of Lennard-Jones liquid elastic moduli, viscoelasticity and other properties along fluid-solid coexistence
Author(s)
Heyes, DM
Dini, D
Brańka, AC
Type
Journal Article
Abstract
Static and dynamical properties of the Lennard-Jones (LJ) fluid along the fluid-solid coexistence line are determined by molecular dynamics simulation. A number of properties, such as the radial distribution function, Einstein frequency, mean force, root mean square force, and normalised time correlation functions are shown to be essentially invariant or structurally isomorphic along this line when scaled by so-called macroscopic variables (MRU). Other quantities subject to MRU such as the potential energy, pressure and infinite frequency compressional modulus are not constant along this line of states but can be reproduced using simple formulae of the form for Roskilde fluids. The elastic moduli fall within the domain of isomorphism theory. A generalised Cauchy relationship in which the infinite frequency longitudinal modulus is proportional to the longitudinal modulus of the fluid was found to be obeyed very well for the LJ fluid phase along this coexistence line.
Date Issued
2015-02-16
Date Acceptance
2015-01-13
Citation
Physica Status Solidi (B), 2015, 252 (7), pp.1514-1525
ISSN
0370-1972
Publisher
Wiley
Start Page
1514
End Page
1525
Journal / Book Title
Physica Status Solidi (B)
Volume
252
Issue
7
Copyright Statement
This is the peer reviewed version of the following article: Heyes, D. M., Dini, D. and Brańka, A. C. (2015), Scaling of Lennard–Jones liquid elastic moduli, viscoelasticity and other properties along fluid–solid coexistence. Phys. Status Solidi B., which has been published in final form at https://dx.doi.org/10.1002/pssb.201451695. This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
Publication Status
Published