The formation mechanism of the precursor film in high temperature molten metal systems: insight into structural disjoining pressure

YR Zhao and M Shibahara and XY Fan and WH Zhang and C Liu and JM Li, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25, 23909-23922 (2023).

DOI: 10.1039/d3cp02192k

A precursor film is a unique microfluidic entity that arises at the liquid/solid interface. The formation mechanism of this entity in high- temperature systems is yet to be explained, mainly due to the limitations posed by the increased reaction at the solid/liquid interface. In this study, we investigate the formation process of the precursor film in high-temperature molten metal systems (Ag/Ni, Au/Ni, and Cu/Ni) using molecular dynamics simulations. The alloying energies for different alloying pairs were determined to extract the excess energy, which was found to be distributed from the interface to the upper liquid. The pattern of this energy distribution determines the shape of the near-surface liquid, including the precursor film. This relationship is further reflected by the structural disjoining pressure, which is the excess pressure exerted by the ordered microstructures within the wedge-shaped area of the droplet. Strong nonlinearity has been found in the structural disjoining pressure of Ag/Ni and Au/Ni systems, which is considered to be the main reason for the formation of the precursor film. The fluctuation of the dissolution rate is also reflected in the disjoining pressure, and the inhibition of dissolution on the precursor film formation is phenomenally clarified. Structural disjoining pressure has been confirmed to exist in high-temperature molten metal systems and exerts a substantial influence on the formation of molecular precursor films.

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