The high water flow rates observed in carbon nanotubes (CNTs) have previously been attributed to the unfavorable energetic interaction between the liquid and the graphitic walls of the CNTs. This paper reports molecular dynamics simulations of water flow in carbon, boron nitride, and silicon carbide nanotubes that show the effect of the solid-liquid interactions on the fluid flow. Alongside an analytical model, these results show that the flow enhancement depends on the tube's geometric characteristics and the solid-liquid interactions.

We present direct numerical simulations of the shock wave boundary layer interaction (SBLI) at Mach number 2.9 over a 24° ramp. We study both the numerical accuracy and flow physics. Two classes of spatial reconstruction schemes are employed: the monotonic upstream-centered scheme for conservation laws and the Weighted Essentially Non-Oscillatory (WENO) scheme, of accuracy ranging from 2nd- to 11th-order. Using the canonical Taylor–Green vortex test-case, a simple and computationally inexpensive rescaling of the candidate stencil values—within the context of the high-order WENO scheme—is proposed for reducing the numerical dissipation, particularly in under-resolved simulations. For the compression ramp case, higher-order schemes are shown to capture the size of the SBLI separation zone more accurately, a consequence of resolving much finer turbulence structures. For second- and fifth-order schemes, the energy of the unresolved small scale turbulence shifts the cascade of the turbulence kinetic energy (TKE) spectrum, thus resulting in more energetic large scale turbulent structures. Consequently, the λ-shock foot shifts further downstream, leading to a smaller separation bubble size. Nonetheless, other statistical quantities, such as the turbulence anisotropy invariant map and the turbulence kinetic energy budget terms, show little dependence on the type and order of the spatial reconstruction scheme. Finally, using the more accurate ninth-order WENO results, it is reasoned that the interaction of the λ-shock with the post-shock relaxation region drives the low-frequency oscillation of the λ-shock.

So-called “coffee-ring” stains are the deposits remaining after complete evaporation of droplets containing nonvolatile solutes. In this paper we use molecular dynamics to simulate the evaporation of salt water nanodroplets in the presence of an applied electric field. We demonstrate, for the first time, that electrowetted nanodroplets can produce various deposit patterns, which vary substantially from the original ringlike deposit that occurs when there is no electric field. If a direct current (dc) electric field with strength greater than 0.03 V/Å is imposed parallel to the surface, after the water evaporates the salt crystals form a deposit on the substrate in a ribbon pattern along the field direction. However, when an alternating current (ac) electric field is applied the salt deposit patterns can be either ringlike or clump, depending on the strength and frequency of the applied ac field. We find that an ac field of high strength and low frequency facilitates the regulation of the deposit patterns: the threshold electric field strength for the transition from ringlike to clump is approximately 0.006 V/Å. These findings have potential application in fabricating nanostructures and surface coatings with desired patterns.

The properties of water confined inside nanotubes are of considerable scientific and technological interest. We use molecular dynamics to investigate the structure and average orientation of water flowing within a carbon nanotube. We find that water exhibits biaxial paranematic liquid crystal ordering both within the nanotube and close to its ends. This preferred molecular ordering is enhanced when an axial electric field is applied, affecting the water flow rate through the nanotube. A spatially patterned electric field can minimize nanotube entrance effects and significantly increase the flow rate.