Rt. Farouki et S. Hamaguchi, THERMAL-ENERGY OF THE CRYSTALLINE ONE-COMPONENT PLASMA FROM DYNAMICALSIMULATIONS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 47(6), 1993, pp. 4330-4336
Molecular-dynamics simulations employing 1024 particles and a high-acc
uracy spline approximation of the Ewald potential have been used to me
asure the excess internal energy of the classical one-component plasma
in both the fluid and solid (bcc) phases over a wide range (1 less-th
an-or-equal-to GAMMA less-than-or-equal-to 2000) of the coupling param
eter. The energy data for GAMMA less-than-or-equal-to 300 are in excel
lent agreement with previous Monte Carlo calculations for this range,
giving an independent corroboration of these calculations. Data in the
crystalline regime 170 less-than-or-equal-to GAMMA less-than-or-equal
-to 2000 are used to estimate the coefficients of the anharmonic energ
y component by least-squares fits. The first coefficient is in reasona
ble agreement with peturbation-theory predictions, although it is argu
ed that determination of the coefficients in this manner is a rather i
ll-conditioned problem. The free-energy curves of the fluid and solid
phases are found to cross at GAMMA(m) almost-equal-to 173, in agreemen
t with recent estimates.