First-principles molecular dynamics simulation of liquid indium

Published 10 Feb 2022 in cond-mat.soft | (2202.04967v1)

Abstract: We report an ab-initio simulation of liquid Indium in a wide range of pressures and temperatures. We calculate equation of state, thermal expansion and compressibility coefficients. The structure of the system is analyzed by radial distribution functions and structure factors. The results are compared with available experimental data.

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Yu. D. Fomin

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