Abstract
Monte Carlo computations have been performed in order to determine the phase transitions of a system of particles interacting through a Lennard-Jones potential. The fluid-solid transition has been investigated using a method recently introduced by Hoover and Ree. For the liquid-gas transition a method has been devised which forces the system to remain always homogeneous. A comparison is made with experiment in the case of argon. An indirect determination of the phase transition of the hard-sphere gas is made which is essentially in agreement with the results of the more direct calculations.
Keywords
Monte Carlo methodPhase transitionComputationLennard-Jones potentialHomogeneousStatistical physicsPhysicsMaterials sciencePhase (matter)ArgonCondensed matter physicsAtomic physicsMolecular dynamicsComputer scienceQuantum mechanics
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Publication Info
- Year
- 1969
- Type
- article
- Volume
- 184
- Issue
- 1
- Pages
- 151-161
- Citations
- 1376
- Access
- Closed
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Cite This
Jean-Pierre Hansen,
Loup Verlet
(1969).
Phase Transitions of the Lennard-Jones System.
Physical Review
, 184
(1)
, 151-161.
https://doi.org/10.1103/physrev.184.151
Identifiers
- DOI
- 10.1103/physrev.184.151