A Simplified Theory of Liquid-Solid Transitions. II : Lennard-Jones and 1/r^<12> System

概要

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In the first paper, a new lattice theory of liquid-solid transitions was proposed and the phase transitions in the Lennard-Jones system was studied with the use of a new approximation. In the present paper, the same problem is explored by using a different but selfconsistent approximation which takes into account the short-range correlation between the first-nearest neighbors. It is confirmed that the fluid and solid phases are represented by different, separate branches in the free-energy versus density diagram. The fluid-solid transition in the system of molecules interacting with the inverse-power repulsive potential 4ε(r_0/r)^<12> is also treated and its freezing and melting point are determined as p/t^<5/46gt;=2.759, ρ_f/t<1/4>=0.5320, ρ_m/t^6lt;1/4>=0.6059, where p=Pr_0^3/ε, t=kT/ε, ρ=Nr_0^3. Freezing and melting phenomena in the Lennard-Jones system at high pressures are thus clarified.
理論物理学刊行会の論文
1972-09-25