General continuum boundary conditions for miscible binary fluids from molecular dynamics simulations

Molecular dynamics simulations are used to explore the flow behavior and diffusion of miscible fluids near solid surfaces. The solid produces deviations from bulk fluid behavior that decay over a distance of the order of the fluid correlation length. Atomistic results are mapped onto two types of continuum model: Mesoscopic models that follow this decay and conventional sharp interface boundary conditions for the stress and velocity. The atomistic results, and mesoscopic models derived from them, are consistent with the conventional Marangoni stress boundary condition. However, there are deviations from the conventional Navier boundary condition that states that the slip velocity between wall and fluid is proportional to the strain rate. A general slip boundary condition is derived from the mesoscopic model that contains additional terms associated with the Marangoni stress and diffusion, and is shown to describe the atomistic simulations. The additional terms lead to strong flows when there is a concentration gradient. The potential for using this effect to make a nanomotor or pump is evaluated.     

n-Particle Quantum Statistics on Graphs

We develop a full characterization of abelian quantum statistics on graphs. We explain how the number of anyon phases is related to connectivity. For 2-connected graphs the independence of quantum statistics with respect to the number of particles is proven. For non-planar 3-connected graphs we identify bosons and fermions as the only possible statistics, whereas for planar 3-connected graphs we show that one anyon phase exists. Our approach also yields an alternative proof of the structure theorem for the first homology group of n-particle graph configuration spaces. Finally, we determine the topological gauge potentials for 2-connected graphs.     

Preparation and phase relationships in systems of the type CdSMIMIIIS2 where MI = Ag,Cu and MIII = Al,Ga, In

Systems of the type M^IM^IIIS₂ (chalcopyrite)-CdS (wurtzite) where M^I = Ag, Cu and M^III = Al, Ga, In were investigated to determine the regions of mutual solid solubility. It was found that the chalcopyrite structure could not tolerate extensive CdS substitution. When M^III was Al or Ga the solubility of M^IM^IIIS₂ in CdS was also very limited. However, when M^III = In (r_In³⁺ ? r_Ga³⁺ > r_Al³⁺), the solubility of M^IInS₂ in CdS was quite extensive (～50%). These results are consistent with a prior study on systems of the type M^IM^IIIS₂ZnS which indicated that in sulfides, larger cations tend to result in the formation of new quaternary, wurtzite phases.     

Surface-localized release of nitric oxide via sol-gel chemistry

The release of nitric oxide (NO) from polymers has proven to be highly effective at inhibiting platelet adhesion and thus enhancing the blood compatibility of medical implants. Micropatterning techniques were used to design surfaces that release NO while preserving the underlying substrate for other applications (e.g., sensors). Micropatterned NO-releasing substrates based on aminosilane-containing methyltrimethoxysilane sol-gels were prepared and characterized in terms of stability, NO surface flux, and resistance to in vitro platelet adhesion. We have found that surface-localized NO release from substrates modified with sol-gel micropatterns exhibit enhanced blood compatibility relative to controls.