Statistical mechanics of phase diagrams. II. A simple cell model for the metallic elements
- 15 February 1973
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 58 (4) , 1647-1659
- https://doi.org/10.1063/1.1679408
Abstract
A sphericalized Lennard‐Jones Devonshire cell model with a pair potential composed of a hard core plus an attractive square well is used to construct one‐component phase diagrams in the pressure‐temperature plane. These diagrams show equilibria among the simple cubic (sc), body‐centered cubic (bcc), face‐centered cubic (fcc), hexagonal close‐packed (hcp), and liquid phases. Some of the predicted phase boundaries are similar to those observed experimentally in the metallic elements.Keywords
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