Abstract
We present adhesion and surface energies of Fe-Mg binary alloys from simulation studies. The adhesion energy was calculated using the assumption that work is done when atoms come into contact by moving two surfaces from equilibrium position zo to ∞, while the surface traction was determined from the atomic interactions between atoms. The surface tension variation with temperature was investigated from the diffusion coefficient obtained by performing molecular dynamics simulations at temperatures above the eutetic temperature of Fe-Mg. It was observed that the structural information as well as the calculated surface tension suggest segregation in Fe-Mg alloys at all investigated temperatures.
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