A new perturbation theory of solids and fluids and its applications to high-pressure melting problems
A statistical mechanical theory that can describe both solids and fluids in a self-consistent way is described. This theory utilizes a optimized reference potential whose repulsive range shrinks with density. A unique feature of the new theory is that solid- and fluid-phase thermodynamic properties are both computed within a single theoretical framework. Hence, it allows us to study melting phenomena in a self-consistent manner. For solids, the new theory treats both harmonic and anharmonic effects in thermodynamic properties on equal footing. Applications to several model and rare gas systems show that the new theory can accurately predict fluid, solid, and fluid-solid transition properties. Effective pair potentials inferred from the analysis of krypton and xenon isotherms contain short- and long-range modifications to the Aziz-Slaman pair potential. The long-range correction is repulsive and originates from the Axilrod-Teller three-body force, while the short-range correction probably originates from many-body forces. Using the computed melting curves of krypton and neon, we discuss the range of validity of the corresponding states principle for rare gas systems. 68 refs., 8 figs., 6 tabs.
- Research Organization:
- Lawrence Livermore National Lab., CA (USA)
- Sponsoring Organization:
- DOE/DP
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 6897591
- Report Number(s):
- UCRL-JC-103943; CONF-9005203-1; ON: DE90011502; TRN: 90-016445
- Resource Relation:
- Conference: 2. Archimedes workshop on molecular solids under ressure, Catania (Italy), 28-31 May 1990
- Country of Publication:
- United States
- Language:
- English
Similar Records
Spectra of helium clusters with up to six atoms using soft-core potentials
Perturbation theory of classical solids
Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
PHASE TRANSFORMATIONS
PERTURBATION THEORY
SOLIDS
PRESSURE EFFECTS
FLUIDS
FREE ENERGY
KRYPTON
MELTING
STATISTICAL MECHANICS
TEMPERATURE DEPENDENCE
XENON
ELEMENTS
ENERGY
GASES
MECHANICS
NONMETALS
PHYSICAL PROPERTIES
RARE GASES
THERMODYNAMIC PROPERTIES
656002* - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)
657002 - Theoretical & Mathematical Physics- Classical & Quantum Mechanics