Abstract

Molecular dynamics simulations were performed to investigate the wetting and coalescence of liquid Al and Pb drops on four carbon-based substrates. We highlight the importance of the microstructure and surface topography of substrates in the coalescence process. Our results show that the effect of substrate on coalescence is achieved by changing the wettability of the Pb metal. Additionally, we determine the critical distance between nonadjacent Al and Pb films required for coalescence. These findings improve our understanding of the coalescence of immiscible liquid metals at the atomistic level.

Highlights

  • Molecular dynamics simulations were performed to investigate the wetting and coalescence of liquid Al and Pb drops on four carbon-based substrates

  • We can conclude that the different wetting of Pb on double-wall graphene (DG) and pillared graphene (PG) results in the different coalescing behavior

  • Different coalescing behaviors on CNTs further demonstrate the significant role of substrate

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Summary

Introduction

Molecular dynamics simulations were performed to investigate the wetting and coalescence of liquid Al and Pb drops on four carbon-based substrates. Work on coalescence mainly focused on the latter stage using sessile drops[14,15,18], but the kinetics of the first stage is of significant interest for industrial and biochemical applications[19] During this inital stage, Karpitschka et al.[20] reported that sessile droplets instantaneously fuse upon contact at their three-phase lines due to the capillarity force and a surface tension gradient. Much work has been done to study the dynamics of droplets coalescence, existing studies have primarily focused on two drops of the same material, and the coalescence behavior of metal films with different wettability during the early stage remains obscure, for immiscible alloy film. We performed molecular dynamic (MD) simulations to explore the coalescence behavior of Al and Pb films on different graphenes at the nanoscale and discovered the effect of substrates on the behavior of the two metals during alloy formation, which may provide theoretical guidance for fabricating this alloy. We discuss the variation of wettability for different substrates, which will be useful for applications in metallurgy[29]

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