The effect of atomic concentration on the structural evolution of Zr100-xCox alloys during rapid solidification process

摘要: Abstract The effects of the concentration on glass formation, crystallization process, and atomic structure Zr100-xCox (x = 10, 30, 50, 70, 90) alloys were investigated by classical molecular dynamics simulation based embedded atom method during rapid quenching. structural evolution these systems was evaluated analyzing some functions characterization methods. calculated coordination number factor compared with experimental data it observed that there a good agreement between results. Simulations performed for this study revealed local environment depends composition in Zr Co alloy. liquid - transition concentrations range 30–90%, which is consistent forming alloys. Voronoi Honeycutt–Andersen pair analysis showed pairs bonds reflecting development icosahedral short order increased Zr30Co70 alloy, having large ideal distorted icosahedrons respect to other compositions considered present study, has highest fraction Co-centered full ⟨0,0,12,0⟩ clusters. Analysis results Zr90Co10 ⟨0,6,0,8⟩ clusters denoting bcc remarkably increased, ⟨0,3,6,4⟩, ⟨0,5,2,6⟩ ⟨0,4,4,6⟩ play key role process.