Solvation force simulations in atomic force microscopy.

Solvation force oscillation in octamethylcyclotetrasiloxane (OMCTS) versus the distance between an atomic force microscope (AFM) tip and mica substrate has been studied through molecular dynamics simulations. A driving spring model in a liquid-vapor molecular ensemble is used to explore the force oscillation mechanism. It has been found that OMCTS fluid in tip-substrate contact has a strong tendency to form a layered structure, starting from n = 8 layers. The force profile obtained from simulation is qualitatively similar to those in contact mode AFM experiments. However, the bulk-like diffusion and rotation of OMCTS molecules underneath the AFM tip suggest that, under the tip-substrate confinement geometry, the layered OMCTS film cannot form a solidified structure except under n = 2 extreme contact-layer confinement.