Icosahedral clustering with medium-range order and local elastic properties of amorphous metals Original Research Article

The paper focuses on the relationship between icosahedral clustering with medium-range order in amorphous metals and local elastic properties. Using a Cu–Zr binary amorphous model constructed by rapid quenching in the framework of molecular dynamics simulations, Voronoi polyhedra analysis shows that the icosahedra are not randomly distributed in space, but form characteristic interpenetrating icosahedral clustering with medium-range order. It is shown that the center atoms of icosahedra within the highly developed interpenetrating icosahedral clusters have higher local elastic moduli than those of independently existing icosahedra and other polyhedra with lower coordination numbers.