Molecular Dynamics Study on the Wettability of the Lithium Droplet and Tungsten Surface

Abstract

In this paper, molecular dynamics (MD) simulation was used to study the wettability of lithium and tungsten. The surface energy barrier and evaporation control the static contact angle with increasing temperature. The effects of 4 different sizes of droplets and 10 different tungsten sections were evaluated. Moreover, it was found that the different arrangements of atoms on the solid surface will affect the wettability, but the size of the droplet has little effect. In addition, the situation of the droplets driven by six different external forces was evaluated. When the force increases, the two states of the droplet and stream will have different properties. Finally, we studied the phase behavior between lithium and tungsten. For example, lithium overflows from the tungsten plate. The tungsten phase is separated in the lithium plate. Lithium is faster than tungsten when it aggregates in the gas phase, and wettability will drive the effects of engulfing and spitting.

Study of the Micromechanism of the Effect of Fatty Alcohol Poly(oxyethylene) Ether-9 on the Wettability of Jincheng Anthracite

“…Molecular dynamics simulations can be used to study the interaction of substances at the microscopic level. It is an effective way to study the wetting mechanism of dust suppressants on coal dust. − Li et al studied the effect of benzene rings on the adsorption of coal/surfactants through molecular dynamics simulation. The benzene ring enhanced the adsorption strength of the surfactant on the high-rank coal surface through π bonds; however, on lower-order coals, the impact was less.…”