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MM: Fachverband Metall- und Materialphysik
MM 16: Topical Session: Thermophysical Properties of Bulk Metallic Glasses and Bulk Metallic Glass-forming Liquids
MM 16.4: Vortrag
Mittwoch, 19. März 2025, 11:15–11:30, H10
Structural Complexity and Atomic-Scale Dynamics in Metallic Glasses — •Emel Gurbuz and Elif Ertekin — University of Illinois Urbana-Champaign
Metallic glasses (MG) become prominent for their exceptional mechanical strength, corrosion resistance, and versatile processing capabilities, all strongly linked to their amorphous atomic structures. Despite extensive research, the interplay between structural motifs, their connectivity, and the resulting dynamic behavior during glass formation remains insufficiently understood.
This study uses molecular dynamics simulations to explore the dynamics of glass formation in MG systems with varying compositions (FexZr100−x, CoxZr100−x, CuxZr100−x). By analyzing melt-quench trajectories, we identify key structural motifs, such as five-fold icosahedra, and examine their role in the "freezing in" process. Regions with rapid solidification and liquid-like behavior are characterized by tracking atomic diffusivity distributions over time. Remarkably, sequences of connected icosahedra persist as liquid-like regions even at low temperatures, facilitating ionic transport.
Our findings reveal critical insights into the mechanisms governing structural and dynamic complexity in MGs, advancing the understanding of their formation and potential for designing functionally optimized materials.
Keywords: Metallic Glasses; Glass Dynamics; Structural Complexity