Free Volume Formation in Amorphous Alloys: a Molecular Dynamics Study

This study examined the creation mechanism of free volume during homogeneous deformation induced by the elastostatic compression at room temperature. Experiments demonstrated that amorphous alloys subjected to the elastostatic compression underwent structural disordering, during which densely packed polyhedra breakdown to form new, loosely packed ones, resulting in the creation of excess free volume. A combination of experiments and molecular dynamics simulations are used to explore fundamental issues on how free volume is created during elastostatic compression.