Abstract
The dispersion behavior of TiC nanoparticles in molten Mg was investigated by using molecular dynamics simulations based on Li's theoretical model of nanoparticle capture. First, the contact angles between molten Mg and the TiC substrate were calculated over a temperature range of 973–1173 K, and the error was within 10% of the experimental values. The calculated contact angles and Li's theory, confirmed that the dispersion behavior of TiC nanoparticles in molten Mg can be of three types. Subsequently, the effects of the nanoparticle radius and temperature on the dispersion behavior of TiC nanoparticles in molten Mg were studied. The results showed that TiC nanoparticles having a radius of less than 55.8 nm can be uniformly dispersed in molten Mg at 973 K. For TiC nanoparticles having a mean particle radius of 60 nm, the temperature must exceed 1045 K to achieve self-dispersion of the nanoparticles in the Mg melt. This study presents a practical computational technique for the preparation of Mg matrix nanocomposites.
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