โ Scribed by T. Tsang
No coin nor oath required. For personal study only.
A modified cell model is used for the solid-liquid phase transition in the low-pressure region for Lennard-Jones systems. Effects due to randomness of neighboring atomic positions are included in the cell potential. The free energy is then calculated after imposing self-consistent conditions on cell irregularity. Two minima are observed on the free energy versus cell dimension curves, leading to bifurcations into solid and liquid phases by double-tangent construction. The theoretical results in the low-pressure region are in good agreement with molecular dynamics results and also with the experimental data on argon.
๐ SIMILAR VOLUMES
## Studies of twc-dmxns~onal Lcnnard-Jones rcpulswe and full potential systems have shown that the long time tads of the velocily autocorrclJlion runclion of the repulsive systems arc in apcemcnt wth Cnskog prcdxtions. Moreover, Ihc rull systems drsplay simdar behavior ~Illhough the fail cocftkicn
## Abstract As extended benchmarks to global cluster structure optimization methods, we provide a first systematic point of entry into the world of strongly mixed rare gas clusters. A new set of generalized LennardโJones pair potentials is generated for this purpose, by fitting them to highโend __a
A simple phenomenological theory of liquid-sold phase transitions, based on the use of perturbation theory about a hard-sphere fluid, is examined. A temperature dependent hard-sphere diameter is determined which permits the prediction of solid and liquid densities and melting pressures. Calculations