Dependence of mechanical and thermal deformation behaviors on crystal size and direction of Cu3Sn intermetallic: A molecular dynamics study

Abstract

The implementation of environment friendly technologies in microelectronic packaging industry has widened the essentialities of lead-free solder alloys. The Cu3Sn intermetallic compound is blameworthy for the adverse influences of the mechanical and thermal properties of the lead-free solder alloys. This study explored the effects of crystal size and direction on mechanical and thermal deformation behavior of Cu3Sn using the modified embedded atom method (MEAM) parameter in molecular dynamics simulation. The stress–strain characteristics were tracked down at 25 °C temperature and 1010 s−1 strain rate, and the thermal deformation manner was observed from −100 °C to 200 °C temperature, which came up with the thermal expansion coefficient (CTE). Investigations show that the tensile properties differ 43–63 % owing to anisotropy, whereas the CTE varies only less than 1 %. Meanwhile, the tensile properties and CTE plummet topmost 25 % and 58 % consecutively throughout the crystal size. However, the thermal expansion proclivity in different crystal size was quite indistinguishable at higher temperature.