Abstract
Molecular dynamics analysis of wetting behavior of nano water drops on quartz sand surface
Highlights
Wetting phenomena on a solid surface is a common and vital feature in many aspects of environmental and geotechnical engineering
It is indispensable to research contact angles of sand soil and quantify their effects of wettability on unsaturated soil behavior, and optimize practical engineering problems induced by wetting phenomena
The wettability of nano water droplets on the silica surface has been investigated by means of Molecular dynamics (MD) simulation
Summary
Wetting phenomena on a solid surface is a common and vital feature in many aspects of environmental and geotechnical engineering. It is indispensable to research contact angles of sand soil and quantify their effects of wettability on unsaturated soil behavior, and optimize practical engineering problems induced by wetting phenomena. To promote its application in the geotechnical engineering community, molecular dynamics simulations are adopted in this study to explore the wetting behavior of silica soil surfaces. A series of wetting process simulations of nano water droplets on silica surfaces are conducted by the large-scale atomic/molecular massively parallel simulator (LAMMPS) and visualized by visual molecular dynamics (VMD) to investigate the contact angles. We investigate the variation tendency of the contact angles, droplet heights, and vapor–liquid interface thicknesses of the moving nano water droplet on the silica soil surface with different thicknesses, lengths, widths, interaction potential energies, and temperatures. The underlying physical mechanisms of wetting processes and their implications on silica soil mechanics are discussed further in detail
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