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Thermophysical properties and structure of liquid Fe-C alloys
Oleg Ostrovski and David K. Belashchenko
The paper reports experimental data on density and viscosity of liquid Fe-C alloys and results of molecular dynamics modelling of liquid Fe-C alloys. Physical properties of liquid alloys are presented at 1823 K and at liquidus temperature with a reference to solidification process. Chemical composition and properties of liquid Fe-C alloy change in the process of solidification with a significant effect on the liquid flow. Results of molecular dynamics modelling of alloys with a broad interval of carbon concentrations (up to 20 at%) and temperatures (up to 2,500 K) are discussed in relation to a concept of structural changes in the liquid state. Interaction between Fe-Fe and Fe-C atoms was described using the embedded atom potential. The Morse potential was chosen for the pair term of Fe-C interaction, while C-C pair interaction was presented in the form of the repulsive potential. Distribution of atoms in the first coordination sphere in the Fe-C alloys was close to statistical.
Keywords: Liquid alloy, density, viscosity, solidification, structure, molecular dynamics