Structural properties of coal metallic glasses investigated by molecular dynamics simulations

JH Xia and XM Gao and XY Xiao and ZF Cheng, MODERN PHYSICS LETTERS B, 29, 1450267 (2015).

DOI: 10.1142/S0217984914502674

Based on using molecular dynamics simulations, the structural transitions of Co25Al75 and Co75Al25 were studied during two different quenching processes. The pair-correlation function, the Honeycutt- Andersen (HA) pair analysis technique, Voronoi indices and structural snapshot are adopted in both rapid quenching processes. The results provide direct evidence of the liquid-crystal transition and the liquid Co75Al25 crystallizes into bcc phase at 300 K during the rapid quenching process r1 = 1 K/ps. While during the rapid quenching r2 = 10 K/ps the liquid is frozen into the glass state at 300 K. Meanwhile, the liquid Co25Al75 is frozen into the glass state at 300 K during the two rapid quenching processes. Our results show that the phase formation is strongly dependent on the cooling rates and the compositions.

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