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@article{Heyes:2015:10.1002/pssb.201451695,
author = {Heyes, DM and Dini, D and Braka, AC},
doi = {10.1002/pssb.201451695},
journal = {Physica Status Solidi (B)},
pages = {1514--1525},
title = {Scaling of Lennard-Jones liquid elastic moduli, viscoelasticity and other properties along fluid-solid coexistence},
url = {http://dx.doi.org/10.1002/pssb.201451695},
volume = {252},
year = {2015}
}
TY - JOUR
AB - 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.
AU - Heyes,DM
AU - Dini,D
AU - Braka,AC
DO - 10.1002/pssb.201451695
EP - 1525
PY - 2015///
SN - 0370-1972
SP - 1514
TI - Scaling of Lennard-Jones liquid elastic moduli, viscoelasticity and other properties along fluid-solid coexistence
T2 - Physica Status Solidi (B)
UR - http://dx.doi.org/10.1002/pssb.201451695
UR - http://hdl.handle.net/10044/1/23761
VL - 252
ER -