Citation Vydrov, Oleg A. and Troy Van Voorhis. "Dispersion interactions from a local polarizability model. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. A local ...

A simple modified Poisson-Boltzmann formalism, which accounts also for those interactions between electrolyte ions and colloidal particles not included in the mean potential, is used to calculate the force between two parallel plates. It is shown that the short-range interactions between ions and plates, such as those due to the change in the hydration free energy of a structure-making/breaking...

Effect of interparticle force on the hydrodynamics of gas-solid fluidized beds was investigated using the combined method of computational fluid dynamics and discrete element method (CFD-DEM). The cohesive force between particles was considered to follow the van der Waals equation form. The model was validated by experimental results from literature in terms of bed voidage distribution and Eule...

The density-density plot of the critical lines of the van der Waats equation at the van Laar point is analyzed through its algebraic properties. It is shown that this curve is an irreducible expression of the fifth degree of genus one. In addition, we show the topology of the second branch, i.e., the T= 0 solution, which will interact with the first branch as soon as the energy parameters are s...

Surface energies are commonly used to determine the adhesion forces between materials. However, the component of surface energy derived from long-range forces, such as van der Waals forces, depends on the material's structure below the outermost atomic layers. Previous theoretical results and indirect experimental evidence suggest that the van der Waals energies of subsurface layers will influe...

Implicit solvent hydration free energy models are an important component of most modern computational methods aimed at protein structure prediction, binding affinity prediction, and modeling of conformational equilibria. The nonpolar component of the hydration free energy, consisting of a repulsive cavity term and an attractive van der Waals solute-solvent interaction term, is often modeled usi...

Two-dimensional materials, such as graphene, transition metal dichalcogenides, and phosphorene, can be used to construct van der Waals multilayer structures. This approach has shown potentials to produce new materials that combine novel properties of the participating individual layers. One key requirement for effectively harnessing emergent properties of these materials is electronic connectio...