BPCPPDYSOE21 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 21: Glasses and Glass Transition 2 (joint session DY/CPP)

CPP 21.2: Vortrag

Mittwoch, 24. März 2021, 11:20–11:40, DYc

Evaluation of Local Atomic Structural Changes in Cu₅₀Zr₅₀ Cluster Assembled Metallic Glasses through Molecular Dynamics Simulations — •Syamal Praneeth Chilakalapudi¹, Shyam Katnagallu¹, Wolfgang Wenzel¹, Penghui Cao², and Horst Hahn^1,2,3 — ¹Institute Nanotechnology, Karlsruhe Institute of Technology, Germany — ²Dept. Mat. Sci. & Engg., University of California-Irvine, USA — ³KIT-TUD Joint Research Laboratory Nanomaterials, Technische Universität Darmstadt, Germany

Cluster assembled metallic glasses (CAMGs), synthesized by cluster (amorphous) ion beam deposition (CIBD), are a prominent bottom-up approach to tailor amorphous structures. Experimental control of amorphous structure and magnetic properties [1] was demonstrated with a custom-made apparatus which offers precise control on the size and the deposition energy of the clusters under ultra high vacuum [2].

To understand the underlying mechanisms of these structural changes in CAMGs, we performed atomistic molecular dynamics simulations of Cu₅₀Zr₅₀ cluster assembly using LAMMPS. Our simulations model the CIBD process and evaluate changes in the local short-range order in CAMGs as a function of the deposition energy of the clusters. We notice the presence of interfacial regions, formed between every adjacent cluster. The interfaces are most prominent in soft-landing cases. We also investigate the effect of quenching rate used to generate the amorphous clusters on CAMGs.