Rapid Solidification; Defects; Molecular Dynamics

Directional solidification of Al-11 at % Cu is investigated by molecular dynamics (MD) simulations utilizing second nearest neighbor modified embedded atom method (2NN-MEAM) interatomic potential. The condition for directional solidification is produced by imposing dissimilar temperatures at the model boundaries along the [1 0 0] solidification direction to create a temperature gradient. During solidification, the solid-liquid front travels through the Al-Cu liquid along the [1 0 0] direction towards the high temperature end.

Formation of solidification defects and their evolution in uniaxial tensile deformation of solidified polycrystalline aluminum (Al) were investigated by molecular dynamics (MD) simulations. First, solidification process was simulated both isothermally and with different quench rates. At the initial stages of nucleation, coherent twin boundaries and/or fivefold twins formed depending on the quench rate or the undercooling temperature. The solidified polycrystalline Al consisted of randomly distributed grains, twin boundaries, and vacancies.