Wetting characteristics of lithium droplet on iron surfaces in atomic scale: A molecular dynamics simulation

High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

“…The precursor film radius of Mo(111) is simultaneously smaller than that of Mo(110). The main reason that the Ag droplets form different precursor films on different Mo substrates is that the diffusion barriers overcome by the atomic transition adsorption positions are different. , The method of nudging elastic band (NEB) is adopted to calculate the diffusion barriers of Ag atom diffusion on three different Mo surfaces: to begin with, the Mo surface was relaxed for 1 ns under simulated studied conditions, and then a single Ag atom was relaxed at a distance of 2 Å above the Mo substrate by 100 ps under the same conditions, which produced the initial model. The last is to provide the final position of the Ag atom along with different crystal orientations.…”

“…There are a few Ag atoms free from droplets and spreading films on the Mo(110) crystal plane, as shown in Figure 3b. By analysis of the crystal structure of bcc metal and comparison of the atomic gap of Mo(100), Mo(110), and Mo(111) crystal planes, the 20,21 The method of nudging elastic band (NEB) is adopted to calculate the diffusion barriers of Ag atom diffusion on three different Mo surfaces: to begin with, the Mo surface was relaxed for 1 ns under simulated studied conditions, and then a single Ag atom was relaxed at a distance of 2 Å above the Mo substrate by 100 ps under the same conditions, which produced the initial model. The last is to provide the final position of the Ag atom along with different crystal orientations.…”

“…The drop and precursor film on the Cu(110) plane showed anisotropy, spreading faster along the crystal direction. Studies on the wettability of the bcc metal surfaces were also investigated: Li droplet wetting an iron (Fe) surface 20 and Cu droplet wetting a tungsten (W) surface. 21 The Fe(110) and W(110) planes have isotropic monoatom thickness precursor films, while the Fe(100) and W(100) planes have inconspicuous slow precursor films.…”

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

“…Given the roughness of the experimental surface and the effects of fluid transport, the mechanism for the initial formation of the film in experiments should still be on a molecular scale. The approximate circular shape in simulation formed by the spreading of atoms implies that the energy barriers encountered by liquid atoms on the Ni (100) surface are almost the same in different crystal orientations, 53 and their mobility is isotropic. The thin film which is recognized as the precursor film appears to be more extensive in the Ag system than in the Au system.…”

The effect of crystallographic orientation of α-Al2O3 on the wetting behavior and adhesion characteristics of aluminum droplets

“…Zhang et al [17] discovered that the Fe atom arrangement influences the dispersion of Zn droplets on the Fe (100), (110), and (111) surfaces, with Zn droplets having the greatest wettability on the Fe (111) surface due to the variation in the microscopic roughness of the surface atoms. The wetting behavior of liquid Li on the surface of Fe substrate was investigated by Zou et al [18] On surfaces made of Fe (100), (110), (112), and polycrystal Fe, Li droplets displayed flawless wetting characteristics.…”