Temperature dependence of adhesion properties at liquid-aluminum/solid interfaces

Abstract

The adhesion problem of the liquid aluminum (Al) and solid surfaces in the production process has not been completely solved. In this paper, by performing the molecular dynamic simulations, we first establish models composed of liquid-Al/Al and liquid-Al/silicon (Si) systems, in which the region of solid temperature is from 100 K to 800 K. Then, the dependence between the adhesion force and the solid temperature is qualitatively investigated. The adhesion mechanism of liquid atoms is explored in terms of their diffusion behavior. The results show that there is an opposite effect of the temperature on adhesion properties between the liquid-Al/Al interface and the liquid-Al/Si interface. The thermal excitation effect induces enlargement of the probability of atomic collisions, which accounts for the increase of the adhesion force at the liquid-Al/Al interface. Conversely, the thermal excitation effect leads to the detachment of the atoms in contact with each other, which reduces the adhesion force at the liquid-Al/Si interface. Our findings reveal that the solid Al surface is aluminophilic but the solid Si surface is aluminophobic. In addition, the adhesion between liquid-Al and solid surfaces can be explained by the variation of the interfacial potential.

Effect of Nanopillars on the Wetting State and Adhesion Characteristics of Molten Aluminum Droplets

“…The interfacial potential energy between the droplet in the Wenzel state and the substrate surface is close to that of the Young state; the interfacial potential energy between the droplet in the Cassie state and the substrate surface is much higher than that of the droplets on the other two substrate surfaces. Wu et al concluded that the lower the interfacial potential energy curve, the more stable the solid–liquid interface formed and the stronger the interfacial adhesion tendency . Therefore, the molten droplets in the Young state have the strongest adhesion tendency, followed by the Wenzel state, and those in the Cassie state have the weakest adhesion tendency.…”

“…Wu et al concluded that the lower the interfacial potential energy curve, the more stable the solid−liquid interface formed and the stronger the interfacial adhesion tendency. 53 Therefore, the molten droplets in the Young state have the strongest adhesion tendency, followed by the Wenzel state, and those in the Cassie state have the weakest adhesion tendency.…”

Regulating interfacial thermal conductance with commensurate–incommensurate transitions at atomic-scale silicon/silicon interfaces

“…The vdW potential can be described by the Lennard-Jones (LJ) potential with the parameters ε = 0.01744 eV and equilibrium constant σ = 3.826 Å. 34,35 We adjust 2.6σ (∼9.9476 Å) as the cutoff distance in all LJ interactions, beyond which the atomic interactions among the atoms are ignored, and the lattice constant of silicon is fixed at the optimized value of 5.431 Å, which is consistent with previous research studies. [36][37][38] Eight atoms are selected respectively from the hot region and cold region contact surfaces to calculate the interlayer distance and phonon density of states (PDOS).…”

Effect of external electric field on copper/silica contact electrification and adhesion: insight from first-principles and molecular mechanics investigations

“…The charge transfer behavior during contact electrification between metal/metal [18,19], metal/dielectric [20][21][22][23] and dielectric/dielectric [24] contact pairs have been studied by the first principles method and the external electric field can also be included [17]. The microscopic adhesion behavior can be revealed by simulating the contact processes and calculating the adhesion energy by molecular mechanics method and the van der Waals potential energy and electrostatic potential energy can be presented respectively [25][26][27][28][29].…”