For the first time we report that by introducing sub-nm roughness on a Si surface, the energy coupling between a single layer graphene (SLG) and the Si substrate can be improved substantially. This is contrary to the traditional view that a rough surface contact will weaken the energy coupling, rather than improve it. Periodical grooves of 2 nm width and 2 nm spacing are introduced on the surfa...

The elongated droplets and grains can break up into smaller ones. This process is driven by the interfacial free energy minimization, which gives rise to a breakup limit. We demonstrated in this work that the breakup limit can be overpassed drastically by using electric current to interfere. Electric current free energy is dependent on the microstructure configuration. The breakup causes the el...

Performing molecular dynamics simulations on model systems we study the structural changes and thermodynamic stability of polymers of varying topology (linear and star-shaped) at interface between two liquids. We find that homopolymers are attracted to the interface in both good and poor solvent conditions showing that they are surface active molecules even though not amphiphilic. In most cases...

Adhesion (cohesion) and agglomeration properties of gas hydrate particles have been a key to hydrate management in flow assurance in natural gas pipelines. Despite its importance, the relevant data in the area, such as the surface energy and the interfacial energy of gas hydrates with gas and/or water, are scarce; presumably due to the experimental difficulties involved in the measurements. Her...

We investigate hysteretic behavior in two dynamic models for solid-solid phase transitions. An elastic bar with a nonconvex double-well elastic energy density is subjected to time-dependent displacement boundary conditions. Both models include inertia and a viscous stress term that provides energy dissipation. The first model involves a strain-gradient term that models interfacial energy. In th...

Despite the promising function of conjugated polyelectrolytes (CPEs) as an interfacial layer in organic photovoltaics (OPVs), the underlying mechanism of dipole orientation and the electrical characteristics of CPE interlayers remain unclear. Currently, the ionic functionality of CPEs (i.e., whether they are cationic or anionic) is believed to determine the interfacial dipole alignment and the ...

We have studied the effect of weak solute-solvent attractions on the solvation of nonpolar molecules in water at ambient conditions using an extension and improved parameterization of the theory of solvation due to Lum, Chandler, and Weeks [J. Phys. Chem. B 1999, 103, 4570]. With a reasonable strength of alkanewater interactions, an accurate prediction of the alkane-water interfacial tension is...

In order to understand the beneficial effect of Pt on the adherence of thermally grown alumina scales, sessile drop experiments were performed to study the wetting of poly-crystalline alumina by nickel-aluminum alloys with or without platinum addition where the amount of Pt ranged from 2.4 to 10 at.%. Subsequent interfacial structure was evaluated using atomic force microscopy. Platinum additio...

The future development of polymer composite materials with nanotubes or nanoscale fibers requires the ability to understand and improve the interfacial bonding at the nanotube–polymer matrix interface. In recent work [Strus MC, Zalamea L, Raman A, Pipes RB, Nguyen CV, Stach EA. Peeling force spectroscopy: exposing the adhesive nanomechanics of one-dimensional nanostructures. Nano Lett 2008;8(2)...

Using equilibrium and nonequilibrium molecular dynamic simulations, we found that engineering the strain on the graphene planes forming a channel can drastically change the interfacial friction of water transport through it. There is a sixfold change of interfacial friction stress when the strain changes from -10% to 10%. Stretching the graphene walls increases the interfacial shear stress, whi...