Abstract
The method for calculations the embedded atom potential for liquid metals based on the diffraction data on the structure close to the melting temperature was applied to potassium. The embedded atom potential parameters were adjusted using the data on the structure of potassium at 343, 473, and 723 K and the thermodynamic properties of potassium at temperatures up to 37240 K. The use of the molecular dynamics method and the embedded atom potential gave close agreement with the experimental data on the structure, density, and potential energy of liquid metal along the p ≅ 0 isobar at temperatures up to 2200 K and along the shock adiabat up to a pressure of ∼85 GPa and 37240 K. The calculated bulk compression modulus at 343 K was close to its actual value, and the self-diffusion coefficients increased under isobaric heating conditions following a power law with an exponent of 1.6478. The melting temperature of body-centered potassium with the embedded atom potential was (319 ± 1) K, which was close to the actual melting temperature. The potential obtained incorrectly described crystalline potassium.
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Original Russian Text © D.K. Belashchenko, 2009, published in Zhurnal Fizicheskoi Khimii, 2009, Vol. 83, No. 2, pp. 329–333.
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Belashchenko, D.K. The use of the embedded atom model for liquid metals: Liquid potassium. Russ. J. Phys. Chem. 83, 260–264 (2009). https://doi.org/10.1134/S0036024409020198
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DOI: https://doi.org/10.1134/S0036024409020198