A simple real space density functional theory of freezing, with implications for the glass transition

Technical Report · Sun Jan 01 04:00:00 EST 1989

DOI:https://doi.org/10.2172/6203921· OSTI ID:6203921

Stoessel, J P; Wolynes, P G

With analogy to the ''highly accurate'' summation of cluster diagrams for hard sphere fluids a la Carnahan-Starling, we present a simple, real space free energy density functional for arbitrary potential systems, based on the generalization of the second virial coefficient to inhomogeneous systems which, when applied to hard sphere, soft-sphere, and Lennard-Jones freezing, yield melting characteristics in remarkable agreement with experiment. Implications for the liquid-glass transition in all three potential systems are also presented. 45 refs., 7 figs., 1 tab.

• Research Organization: Argonne National Lab., IL (USA)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6203921
• Report Number(s): ANL/PPRNT-89-129; ON: DE89008388
• Country of Publication: United States
• Language: English

Related Subjects

656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ENERGY
EQUATIONS
EQUATIONS OF STATE
FLUIDS
FREE ENERGY
FREEZING
GLASS
LENNARD-JONES POTENTIAL
LIQUIDS
PERTURBATION THEORY
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
POTENTIALS
THERMODYNAMIC PROPERTIES