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The application of hybrid composites in lightweight engineering enables the combination of material-specific advantages of fiber-reinforced polymers and classical metals. The interface between the connected materials is of particular…
We outline a Kohn-Sham-Dirac density-functional-theory (DFT) scheme for graphene sheets that treats slowly-varying inhomogeneous external potentials and electron-electron interactions on an equal footing. The theory is able to account for…
The mechanical tension at the interface of motility-induced phase separating active Brownian particles (ABPs) remains an open question. Here, we determine the surface tension by analyzing the spatial distribution of forces at the molecular…
Metal organic framework (MOF) materials have attracted a lot of attention due to their numerous applications in fields such as hydrogen storage, carbon capture, and gas sequestration. In all these applications, van der Waals forces dominate…
We consider the case of a deformable material interface between two immiscible moving media, both of them being magnetiable. The time dependence of the metric at the interface introduces a non linear term, proportional to the mean…
Complex morphologies and microstructures that emerge during materials growth and solidification are often determined by both equilibrium and kinetic properties of the interface and their crystalline anisotropies. However limited knowledge…
A fluid in contact with a flat structureless wall constitutes the simplest interface system, but the fluid-wall interfacial tension cannot be trivially and even unequivocally determined due to the ambiguity in identifying the precise…
Cell-cell contacts in tissues are continuously subject to mechanical forces due to homeostatic pressure and active cytoskeleton dynamics. While much is known about the molecular pathways of adhesion, the role of mechanics is less well…
We show that the interaction of a particle with a directionally solidified interface induces the onset of morphological instability provided that the particle-interface distance falls below a critical value. This instability occurs at…
We study the interactions between two negatively charged macroscopic surfaces confining positive counterions. A density-functional approach is introduced which, besides the usual mean-field interactions, takes into account the correlations…
This paper introduces for the first time the concepts of non-coherent interfaces and microstructure-driven interface forces in the framework of micromorphic elasticity. It is shown that such concepts are of paramount importance when…
This paper presents an analytical study about the behavior of arbitrary shaped and sized non-cohesive two-dimensional granular materials. Several mechanical properties and relations are unraveled by connecting micro and macro scales in an…
We investigate the behavior of a patchy particle model close to a hard-wall via Monte Carlo simulation and density functional theory (DFT). Two DFT approaches, based on the homogeneous and inhomogeneous versions of Wertheim's first order…
A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals…
Since it is difficult to apply the existing method of friction and heat flux decomposition on the complex surface, a combined decomposition method of friction and heat flux with clear physical interpretation is proposed, which is based on…
The rupture of the interface joining two materials under frictional contact controls their macroscopic sliding. Interface rupture dynamics depend markedly on the mechanical properties of the bulk materials that bound the frictional…
We study irreversible A-B reaction kinetics at a fixed interface separating two immiscible bulk phases, A and B. We consider general dynamical exponent $z$, where $x_t\sim t^{1/z}$ is the rms diffusion distance after time $t$. At short…
We study the origin of layer dependence in band structures of two-dimensional materials. We find that the layer dependence, at the density functional theory (DFT) level, is a result of quantum confinement and the non-linearity of the…
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to that in bulk water. Here we use molecular simulations with specialized sampling techniques…
The surface freezing and surface melting transitions exhibited by a model two-dimensional soft matter system is studied. The behaviour when confined within a wedge is also considered. The system consists of particles interacting via a soft…