Thermal energy of the crystalline one-component plasma from dynamical simulations

R. T. Farouki and S. Hamaguchi
Phys. Rev. E 47, 4330 – Published 1 June 1993
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Abstract

Molecular-dynamics simulations employing 1024 particles and a high-accuracy spline approximation of the Ewald potential have been used to measure the excess internal energy of the classical one-component plasma in both the fluid and solid (bcc) phases over a wide range (1≤Γ≤2000) of the coupling parameter. The energy data for Γ≤300 are in excellent agreement with previous Monte Carlo calculations for this range, giving an independent corroboration of these calculations. Data in the crystalline regime 170≤Γ≤2000 are used to estimate the coefficients of the anharmonic energy component by least-squares fits. The first coefficient is in reasonable agreement with peturbation-theory predictions, although it is argued that determination of the coefficients in this manner is a rather ill-conditioned problem. The free-energy curves of the fluid and solid phases are found to cross at Γm≊173, in agreement with recent estimates.

  • Received 5 February 1993

DOI:https://doi.org/10.1103/PhysRevE.47.4330

©1993 American Physical Society

Authors & Affiliations

R. T. Farouki and S. Hamaguchi

  • IBM Thomas J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598

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Issue

Vol. 47, Iss. 6 — June 1993

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