Freezing of Lennard-Jones-type fluids

Journal Article · Sun Feb 06 23:00:00 EST 2011 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3552948· OSTI ID:21559993

Khrapak, Sergey A ^[1]; Chaudhuri, Manis; Morfill, Gregor E ^[1]

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1. Max-Planck-Institut fuer Extraterrestrische Physik, D-85741 Garching (Germany)

We put forward an approximate method to locate the fluid-solid (freezing) phase transition in systems of classical particles interacting via a wide range of Lennard-Jones-type potentials. This method is based on the constancy of the properly normalized second derivative of the interaction potential (freezing indicator) along the freezing curve. As demonstrated recently it yields remarkably good agreement with previous numerical simulation studies of the conventional 12-6 Lennard-Jones (LJ) fluid [S.A.Khrapak, M.Chaudhuri, G.E.Morfill, Phys. Rev. B 134, 052101 (2010)]. In this paper, we test this approach using a wide range of the LJ-type potentials, including LJ n-6 and exp-6 models, and find that it remains sufficiently accurate and reliable in reproducing the corresponding freezing curves, down to the triple-point temperatures. One of the possible application of the method--estimation of the freezing conditions in complex (dusty) plasmas with ''tunable'' interactions--is briefly discussed.

• OSTI ID: 21559993
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 134; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
70 PLASMA PHYSICS AND FUSION TECHNOLOGY
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
APPROXIMATIONS
CALCULATION METHODS
COMPUTERIZED SIMULATION
DIAGRAMS
FLUIDS
FREEZING
INDICATORS
INFORMATION
INTERACTIONS
LENNARD-JONES POTENTIAL
PARTICLES
PHASE TRANSFORMATIONS
PLASMA
POTENTIALS
SIMULATION
SOLIDS
TRIPLE POINT
YIELDS