1. Study of Glass Forming on Cu60.0Zr32.5Ti7.5 Alloy by Molecular Dynamics Simulation
- Author
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Luciano Vieira Lima, Luis César Rodríguez Aliaga, Ivan Napoleão Bastos, Camila Sanches Schimidt, and Walter José Botta
- Subjects
Materials science ,Amorphous alloys ,Alloy ,Thermodynamics ,02 engineering and technology ,engineering.material ,Molecular Dynamics ,01 natural sciences ,Molecular dynamics ,Viscosity ,Fragility ,Voronoi method ,0103 physical sciences ,General Materials Science ,Materials of engineering and construction. Mechanics of materials ,010302 applied physics ,Quenching ,Amorphous metal ,Mechanical Engineering ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Amorphous solid ,Glass forming ability ,Mechanics of Materials ,TA401-492 ,engineering ,0210 nano-technology ,Glass transition - Abstract
This paper presents the results of Molecular Dynamics (MD) simulations of Cu60.0Zr32.5Ti7.5 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.
- Published
- 2017