Spreading behavior of AgCuTi/Cu at elevated temperatures: A molecular dynamics study

Large-scale molecular dynamics (MD) simulations of molten AgCuTi droplets spreading on pure Cu substrates have been carried out at elevated temperatures. As widely used fillers, AgCuTi ternary-component alloys are often tested in terms of their spreading performances, thermal properties and structural transformations. In this study, dynamic wetting simulations with AgCuTi atomic models were performed for the first time, and MD potentials were designed for simulating the AgCuTi alloy's spreading. Melting points of (Ag₇₂Cu₂₈)_100-xTi_x (subscripts indicate the weight percentages) and the wettability of AgCuTi/Cu were determined from the MD simulation. The spreading kinetics of AgCuTi/Cu at elevated temperatures were investigated. Dynamic contact angles and base diameters of wetting and dissolution were analyzed with kinetic-molecular theories. Heat up simulation results revealed the melting properties of a group of (Ag₇₂Cu₂₈)_100-xTi_x alloys. Temperature and the components of the alloy were proved to be two influential factors for (Ag₇₂Cu₂₈)_100-xTi_x/Cu wetting. Experiments using differential scanning calorimetry (DSC) and in situ observation methods were performed for validating the MD simulation results.