Predicting the Glass-Forming-Ability of Alloys by Molecular Dynamics Simulation: A Working Example of Ti–Co Bulk Metallic Glasses

概要

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Predicting the glass-forming-ability (GFA) of alloys before experimental trials has long been a pursuit in the exploration of bulk metallic glasses (BMGs). Researchers can determine GFA criteria, such as reduced glass-transition temperature ($T_{\text{rg}}$) and gamma factor concluded only from experimental data in prepared amorphous metals, but not beforehand. This study predicts the GFA of binary TixCo100-x system, where $x = 60$, 70, 77 and 84 (hyper-eutectic, eutectic to hypo-eutectic compositions) by calculating their $T_{\text{rg}}$ using molecular dynamics simulation with modified tight-binding potentials. The same compositions were also melted and injection-cast into 1 mm rods. Experiment tests confirm that the compositions Ti60Co40 and Ti70Co30, having calculated $T_{\text{rg}}> 0.5$, were able to produce BMGs. Both calculation and differential thermal analysis indicate that Ti–Co BMGs have exceptionally high glass-transition temperatures.
Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
2009-06-25