Nanoscale fluid flows in the vicinity of patterned surfaces

Area of Science:

• Nanofluidics
• Materials Science
• Computational Chemistry

Background:

• Understanding fluid dynamics at the nanoscale is crucial for developing advanced technologies.
• Chemical patterning offers a potential method for manipulating fluid behavior at the micro- and nano-scale.
• Previous studies have explored surface modifications but lack detailed simulation insights into flow dynamics.

Purpose of the Study:

• To investigate the influence of chemical patterning on fluid flow in nanochannels using molecular dynamics.
• To explore the behavior of nanodrops on chemically patterned surfaces.
• To demonstrate the potential for controlling nanoscale fluid phenomena via surface design.

Main Methods:

• Performing molecular dynamics simulations for dense and rarefied fluids.
• Utilizing small chain molecules within chemically patterned nanochannels.
• Simulating nanodrop interactions with chemically patterned substrates.

Main Results:

• Observed a novel flow switching phenomenon from Poiseuille to plug flow along nanochannels.
• Demonstrated lotus effect-like behavior for nanodrops on patterned surfaces.
• Confirmed that chemical patterning effectively controls nanoscale fluid dynamics.

Conclusions:

• Chemical patterning is a powerful tool for manipulating fluid behavior at the nanoscale.
• The observed flow switching and lotus effect provide new mechanisms for fluid control.
• These findings open avenues for designing novel nanofluidic devices and surfaces.