Molecular dynamics simulation for binary amorphous Zr-Ni alloys

Molecular dynamics (MD) simulations of binary amorphous Zr-Ni alloys were performed in a computational model experiment. The composition dependence of the structural and dynamical properties of Zr_xNi_100-x (x = 0, 17, 33, 50, 67, 83, 100) alloys was analyzed. The static structure was evaluated by the structure factors of the alloys. The longitudinal and transverse collective dynamics, i.e., phonon dispersion relations, were estimated by using the spectrum of the particle current. The composition dependences of these dynamical properties were estimated.