Demixing behaviour in binary Cu-Co melt

摘要

Molecular dynamics simulation has been performed to explore the structure, thermo-dynamics and dynamics properties of Cu-Co melt based upon embedded atom method (EAM). The pair correlation function of liquid Cu_(50)Co_(50) show stronger interaction of homogeneous atom pairs. The coordination number (CN) of CurCu and Co-Co in Cu_(50)Co_(50) melt is a little higher than that, of Cu-Co at temperature of 1800 K. The calculated enthalpy, of mixing is positive in the whole concentration range and S_(CC)(q) increases sharply at lower q, which are the typical features of dense fluid that exhibits phase segregation tendency. The interdiffusion coefficient shows same concentration dependence as that of demixing alloy. Our work indicates that Cu-Co melt exhibits weak demixing behaviour even at temperatures greater than those of bimodal curve.