Study of Glass Forming on Cu60.0Zr32.5Ti7.5 Alloy by Molecular Dynamics Simulation

Abstract

This paper presents the results of Molecular Dynamics (MD) simulations of Cu 60.0 Zr 32.5 Ti 7.5 alloy through the open source code LAMMPS. Amorphous samples were produced by quenching the molten metal from 2300 to 300 K. The pair distribution functions of the liquid and solid were calculated. Moreover, the atomic short-range order at 800, 700 and 300 K was obtained by using the Voronoi tesselation method. Cu-centered icosahedral clusters were the prevailing configuration. The tensile stress-strain curve showed that the material present plastic deformation, however, shear bands were not observed in the MD simulation. The evolution of viscosity in temperatures higher than its glass transition temperature was also determined. Furthermore, the fragility of the alloy at glass temperature was evaluated.

The Molecular dynamics simulations of the mechanical behavior of nanostructured and amorphous Al80Ti15Ni5 alloy

“…Among the main topics in the research of MGs, one can cite the glass-forming ability mechanism and mechanical properties, especially the plastic deformation aspects [29][30][31]. Regarding the latter, it has been proposed that the principal physical mechanism is the formation and rapid movement of the shear bands inside the material volume, which precludes the plasticity yielding [32].…”