Calculating phase equilibrium properties of plasma pseudopotential model using hybrid Gibbs statistical ensemble Monte-Carlo technique

30th International Conference on Interaction of Intense Energy Fluxes with Matter

Butlitsky, M.A.^1 ; Zelener, B.B.^1 ; Zelener, B.V.^1

Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Moscow

125412, Russia^1

关键词: Internal energies;    Pair distribution functions;    Periodic boundary conditions;    Phase equilibriums;    Pseudopotential models;    Pseudopotentials;    Statistical ensembles;    Thermodynamics property;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/653/1/012124/pdf
DOI  :  10.1088/1742-6596/653/1/012124

来源: IOP

【 摘 要 】

Earlier a two-component pseudopotential plasma model, which we called a "shelf Coulomb" model has been developed. A Monte-Carlo study of canonical NVT ensemble with periodic boundary conditions has been undertaken to calculate equations of state, pair distribution functions, internal energies and other thermodynamics properties of the model. In present work, an attempt is made to apply so-called hybrid Gibbs statistical ensemble Monte-Carlo technique to this model. First simulation results data show qualitatively similar results for critical point region for both methods. Gibbs ensemble technique let us to estimate the melting curve position and a triple point of the model (in reduced temperature and specific volume coordinates): T∗ ≈ 0.0476, v∗ ≈ 6 × 10-4.