Crystal stability of heavy-rare-gas solids on the melting line

Journal Article · Sun Aug 01 00:00:00 EDT 1993 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.48.2988· OSTI ID:6277430

Choi, Y; Ree, T ^[1]; Ree, F H ^[2]

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1. Department of Chemistry, Korea Advanced Institute of Science Technology, Taejon (Korea, Republic of)
2. University of California, Lawrence Livermore National Laboratory, Livermore, California 94551 (United States)

Contrary to static-energy predictions favoring a hexagonal-close-packed phase, heavy rare gases solidify into a face-centered-cubic phase over a large temperature range. Our recent perturbation theory and hard-sphere radial distribution functions are applied to give a conclusive calculation that agrees with experiment near the melting lines of heavy-rare-gas solids. The observed stability is due to thermal contributions to the Helmholtz free energy which far exceed the opposing static term. The Lennard-Jones potentials used here reproduce melting data of these solids to 1 GPa.

• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 6277430
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 48:5; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602 -- Other Materials-- Structure & Phase Studies
665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
CUBIC LATTICES
ELEMENTS
ENERGY
FCC LATTICES
FLUIDS
FREE ENERGY
GASES
LENNARD-JONES POTENTIAL
MELTING POINTS
NONMETALS
PERTURBATION THEORY
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
POTENTIALS
RARE GASES
SOLIDIFICATION
STABILITY
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE
VERY HIGH PRESSURE