Freezing transition of a strongly dipolar simple fluid

G. T. Gao, X. C. Zeng

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

The freezing transition of a strongly dipolar Lennard-Jones fluid is investigated using Monte Carlo simulation. It is found that the system undergoes a ferroelectric liquid-to-solid transition when cooled under a constant pressure. Near the triple point the stable solid phase is a body-centered orthorhombic ferroelectric crystal; a metastable ferroelectric solid phase with distorted hexagonal lattice structure is also discovered. To locate the freezing point, Gibbs free energies of the solid and liquid phase are determined using a thermodynamic integration method.

Original languageEnglish (US)
Pages (from-to)R2188-R2191
JournalPhysical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume61
Issue number3
DOIs
StatePublished - Jan 1 2000

Fingerprint

Freezing
freezing
solid phases
Fluid
fluids
Liquid
Gibbs free energy
Hexagonal Lattice
Triple Point
melting points
Lattice Structure
Lennard-Jones
liquid phases
Free Energy
thermodynamics
Thermodynamics
Crystal
Monte Carlo Simulation
liquids
crystals

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Mathematical Physics
  • Condensed Matter Physics
  • Physics and Astronomy(all)

Cite this

Freezing transition of a strongly dipolar simple fluid. / Gao, G. T.; Zeng, X. C.

In: Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 61, No. 3, 01.01.2000, p. R2188-R2191.

Research output: Contribution to journalArticle

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