The influence of effective pair potential hybridization on the liquid iron properties

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A set of effective pair potentials for liquid iron at 1923 K was calculated by means of D.K. Belashchenko hybridization method. The present article illustrates the influence of a hybrid potential choice on the model of thermodynamics and structural properties. On the basis of the results obtained a criterion for the most adequate effective pair potential selection from a set of hybrid potentials is proposed.

Effective pair potential, computer simulation, disordered systems, liquid structure, molecular dynamics

Короткий адрес: https://sciup.org/147158714

IDR: 147158714

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