Density functional theory for the freezing of Lennard-Jones binary mixtures
- 15 January 1989
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 90 (2) , 1188-1199
- https://doi.org/10.1063/1.456175
Abstract
The density functional theory of freezing is used to study the freezing of binary Lennard-Jones mixtures. The phase diagrams of several different Lennard-Jones systems are presented, including models of real binary mixtures of argon, krypton, and methane. The relative importance of size ratio and interaction energy are examined. Three generic types of phase diagram, found in real materials, are obtained. The phase diagram of the hard sphere binary mixture is also presented.Keywords
This publication has 45 references indexed in Scilit:
- Fractal structure of spectra in one-dimensional incommensurate systemsJournal of Physics C: Solid State Physics, 1987
- Density-functional theory for the freezing of waterPhysical Review Letters, 1987
- Freezing of binary hard-sphere mixtures into disordered crystals: a density functional approachJournal of Physics C: Solid State Physics, 1987
- A density functional calculation of the liquid-solid phase diagram of a charged-hard-spheres model of a saltJournal of Physics C: Solid State Physics, 1987
- Density-functional theory and freezing of simple liquidsPhysical Review Letters, 1986
- CD4: Crystal Structure and Solid Phase Diagram with ArThe Journal of Chemical Physics, 1970
- Argon–Methane Phase DiagramThe Journal of Chemical Physics, 1969
- Solid-liquid equilibrium diagram for the argon-methane systemPhysica, 1968
- Thermal Properties of the Inhomogeneous Electron GasPhysical Review B, 1965
- The Solid-Liquid Equilibrium Diagram of Argon and KryptonNature, 1955