Evolution of local atomic structure during solidification of Fe-RE (RE=La, Ce) alloy
Source abstract
Abstract
Abstract For the study of metallic materials, it is vitally important to understand the mechanism involved in the liquid-solid transition in terms of alloying elements. In the present work, the evolution of the short-range order (SRO) of liquid Fe, Fe-La and Fe-Ce systems upon supercooling were investigated using ab initio molecular dynamics simulations. The local structures analyses indicate that the addition of La enhances the glass-forming ability (GFA) of Fe-based alloys by stabilizing the icosahedral SRO, while Ce has no significant effect on it. The effect of Ce on the crystalline nucleation of melting Fe was further examined by isothermal annealing in combination with the analyses of the local bond orientation order parameters. The results reveal that the presence of Ce promotes the formation of the random hexagonal close packing structures during the nuclei formation process, thus helps to reduce the nucleation free energy.
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Research context
OpenAlex topics: Metallic Glasses and Amorphous Alloys · Material Dynamics and Properties · Glass properties and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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