Size effects on the structural and physical properties of Cu₅₀Zr₅₀ metallic glass nanoparticles br

DD Li and JT Zhou and H Chen and BY Qu and RL Zhou, PHYSICA E-LOW- DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 145, 115502 (2023).

DOI: 10.1016/j.physe.2022.115502

The large surface area to volume ratio of metallic glass on the nanoscale imparts unique properties that are active areas of research in material science. We performed extensive calculations to investigate the structural properties, vibrational properties and low-temperature heat capacity of the Cu50Zr50 metallic glass nanoparticles. The low-frequency vibrational density of states was lower in the core region of the nanoparticles than that of the bulk metallic glass. Furthermore, the potential energy of the core region was lower than that of the bulk metallic glass, which confirms that the stability of the core region of the nanoparticles was different from the bulk. The fast dynamics of the surface atoms and curvature effects enhanced the stability of the core region. The fraction of Cucentered icosahedral clusters increased in the core region of the nanoparticles and it was the structural origin of the enhanced stability. The low-temperature heat capacity of the metallic glass depended on the nanoparticle size and there was an obvious boson peak in nanoparticles with a radius of 54.9 angstrom. Our investigations are helpful for understanding the structural and vibrational properties of metallic glass nanoparticles.

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