Molecular dynamics simulations on dissolutive wetting of Al-Ni alloy droplets on NiAl substrate

L Lin and S Hui and G Lu and SL Wang and XD Wang and DJ Lee, JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS, 75, 51-58 (2017).

DOI: 10.1016/j.jtice.2017.03.035

Reactive and non-reactive wettings of pure Al and Al-Ni alloy droplets on an NiAl(100) substrate were numerically investigated. The embedded atoms method potentials were applied to account for interatomic interactions for the Al-Ni systems. The results show that since the Al- Ni alloy droplets has lower equilibrium contact angle, their spreading on the substrate will be slightly faster than the pure Al droplet. However, owing to atom interdiffusion effects on the relaxed substrate, enhanced dissolution of Ni atoms from the substrate to the droplet would remarkably accelerate the spreading using rigid substrate as control. Thus, the pure Al droplet yields the fastest spreading due to its corresponding farthest-from equilibrium concentration, which is followed by 90% Al-10% Ni droplet and 80% Al-20% Ni droplet. The enhanced spreading kinetics is attributed to the decreased bulk viscous dissipation and local dissipation in the vicinity of the contact line caused by the dissolution. (C) 2017 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

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