Dynamic probing of structural evolution for Co(50)Ni(50)metallic glass during pressurized cooling using atomistic simulation
AA Deshmukh and S Pal, JOURNAL OF MOLECULAR MODELING, 26, 208 (2020).
In this study, firstly favorable glass-forming composition for the binary Co-Ni alloy is identified as Co(50)Ni(50)based on statistically evaluated thermodynamic parameters such as mixing enthalpy ( increment H-mix), mixing entropy ( increment S-mix), and topological parameter such as atomic size difference (delta). Secondly, molecular dynamics (MD) simulations have been performed to investigate the glass-forming ability (GFA) and cluster evolution during the rapid solidification (7.67 K/ps) of Co(50)Ni(50)under hydrostatic pressure (0, 0.25, 0.50, 1, 1.25, 2, 3, 5 GPa). It has been observed that with increasing pressure, glass transition temperature (T-g) also increases thereby increasing the GFA of Co50Ni50. Moreover, Voronoi cluster analysis reveals that quasi- icosahedral type clusters such as and , mixed types of cluster such as , , , and and crystal type clusters such as and have maximum population among the other clusters at different pressures at Co as well as Ni- centered atoms.
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