Molecular Dynamics Studies on the Structure of Binary Metallic Glasses based on Lennard-Jones (12-6) Potentials

For the metallic glass NigIB|9 the partial pair-distribution functions are determind up to 14Ä by a molecular dynamics simulation using effective Lennard-Jones potentials. The obtained pair-distribution functions are in good agreement with the measured ones. As the simulation was carried out at the thermodynamic conditions for a liquid, we conclude that the characteristic features of the structure of the metallic glass are essentially not different from those of the fluid system Ni8,B19 at high temperature and pressure. Both the high reduced density of the system and the large differences in the atomic radii of the two species dominantly determine the form of the partial structure factors of the glass. These Findings have been confirmed by our molecular dynamics simulation of a further metallic glass, the Cu57Zr43 system.