学術雑誌論文

学術雑誌論文

The Journal of Chemical Physics. 1994, 101(11), p. 9885-9893

Thermodynamics of strongly-coupled Yukawa systems near the one-component-plasma limit. II. Molecular dynamics simulations

American Institute of Physics Inc.

英語

1994-12-01

https://doi.org/10.1063/1.467955

R. T. Farouki and S. Hamaguchi, J. Chem. Phys. 101, 9885 (1994) https://doi.org/10.1063/1.467955

Molecular dynamics simulations are employed to study the equilibrium thermodynamics of strongly-coupled systems of particles interacting through the Yukawa potential. Such systems serve, under the Debye-Hückel approximation, as a model for the physical behavior of plasma or colloidal suspensions of charged particulates. The thermodynamics may be characterized in terms of two dimensionless parameters-the ratio κ of the mean interparticle distance to the Debye length, and an approximate measure Γ of the interparticle potential energy in units of the thermal kinetic energy. Employing an accurate representation of infinite periodic boundary conditions, we focus on the regime of weak Debye screening (κ ≲ 1) and strong coupling (Γ ≫ 1). Excess internal energies measured at many points (κ, Γ) are fitted to simple functional forms for the fluid and solid phases, representing extrapolations of the classical one-component plasma (OCP) limit, κ=0. Quantitative expressions for the Helmholtz free energy and the "equation of state" of the Yukawa system-giving the pressure p in terms of κ and Γ-are thus derived, and the freezing/melting curve in the (κ, Γ) plane is traced as the intersection of the fluid and solid free-energy surfaces. © 1994 American Institute of Physics.

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 101, 9885 (1994) and may be found at https://doi.org/10.1063/1.467955.

78504

Thermodynamics of strongly-coupled Yukawa systems near the one-component-plasma limit. II. Molecular dynamics simulations

American Institute of Physics Inc.

英語

1994-12-01

The Journal of Chemical Physics

101

11

9885

9893

https://doi.org/10.1063/1.467955

https://hdl.handle.net/11094/78504