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BPCPPDYSOE21 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 42: Glasses and Glass Transition 2 - organized by Andreas Heuer (Münster) (joint session DY/CPP)

DY 42.2: 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 Hahn1,2,31Institute 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.

[1] C. Benel et al., Mat. Horizons, (2019) 6, 727

[2] A. Fischer et al., Rev. Sci. Instr. (2015) 86, 023304

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