First-principles molecular dynamics simulation of liquid indium

2022/02/10 by Yu. D. Fomin, Fomin, Yu. D.
Earth and Planetary Sciences · Engineering · #FOS: Physical sciences #High-pressure geophysics and materials #Soft Condensed Matter (cond-mat.soft) #Thermodynamic and Structural Properties of Metals and Alloys #nanoparticles nucleation surface interactions

paper · pdf · doi:10.48550/arxiv.2202.04967

openalex publication_date 2022/02/10 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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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