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Lorenzo Costigliola

Publications and source records attributed to Lorenzo Costigliola.

20 records · Page 2Linked to original sources

Studies of the Lennard-Jones fluid in 2, 3, and 4 dimensions highlight the need for a liquid-state 1/d expansion

The recent theoretical prediction by Maimbourg and Kurchan [arXiv:1603.05023] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension $d$ goes to infinity is investigated for the standard 12-6 Lennard-Jones fluid. This is done by computer simulations for $d=2,3,4$ going from the critical point along the critical isotherm/isochore to higher density/temperature. In all cases the virial potential-energy correlation coefficient increases significantly. For a given density and temperature relative to the critical point, with increasing number of dimension the Lennard-Jones system conforms better to the hidden-scale-invariance property characterized by high virial potential-energy correlations (a property that leads to the existence of isomorphs in the thermodynamic phase diagram, implying that it becomes effectively one-dimensional in regard to structure and dynamics). The present paper also gives the first numerical demonstration of isomorph invariance of structure and dynamics in four dimensions. Our findings emphasize the need for a universally applicable $1/d$ expansion in liquid-state theory; we conjecture that the systems known to obey hidden scale invariance in three dimensions are those for which the yet-to-be-developed $1/d$ expansion converges rapidly.

cond-mat.soft↗

Freezing and melting line invariants of the Lennard-Jones system

The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of the isomorph theory. First the freezing/melting lines for LJ system are shown to be approximated by isomorphs. Then we show that the invariants observed along the freezing and melting isomorphs are also observed on other isomorphs in the liquid and crystalline phase. Structure is probed by the radial distribution function and the structure factor and dynamics is probed by the mean-square displacement, the intermediate scattering function, and the shear viscosity. Studying these properties by reference to the isomorph theory explains why known single-phase melting criteria holds, e.g., the Hansen-Verlet and the Lindemann criterion, and why the Andrade equation for the viscosity at freezing applies, e.g., for most liquid metals. Our conclusion is that these empirical rules and invariants can all be understood from the isomorph theory and that the invariants are not peculiar to the freezing and melting lines, but hold along all isomorphs.

cond-mat.soft↗