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Using three-dimensional Discrete Element Method (DEM) simulations, we investigate the erosion dynamics of a cohesive bed composed of wet spherical particles subjected to the shear flow of an overlying non-cohesive granular layer. Cohesion…
Diffusion in a multidimensional energy surface with minima and barriers is a problem of importance in statistical mechanics and also has wide applications, such as protein folding. To understand it in such a system, we carry out theory and…
The kinetics of dissolution of an amorphous solid is studied using a simple model of a glass that captures with reasonable accuracy the dynamic heterogeneities associated with the relaxation of an amorphous material at low temperatures. The…
Simple homogeneous shear flows of frictionless, deformable particles are studied by particle simulations at large shear rates and for differently soft, deformable particles. The particle stiffness sets a time-scale that can be used to scale…
Revealing statistics of H-defect interactions provides insights into significant ductility loss due to the particular strain partitioning in H-charged structural alloys. Experimental investigation of these interactions is extremely…
In this work, we investigate dispersion interactions in a selection of atomic, molecular, and molecule-surface systems, comparing high-level correlated methods with empirically-corrected density functional theory (DFT). We assess the…
The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…
Droplet(s) breakup and coalescence have been simulated by the finite volume/moving mesh interface tracking method (MMIT) with adaptive mesh refining and coarsening. In this method, the interface is zero-thickness and moves in a Lagrangian…
There exist methods for determining effective conservative interactions in coarse grained particle based mesoscopic simulations. The resulting models can be used to capture thermal equilibrium behavior, but in the model system we study do…
A highly favoured mechanism of planetesimal formation is collisional growth. Single dust grains, which follow gas flows in the protoplanetary disc, hit each other, stick due to van der Waals forces and form fluffy aggregates up to…
The study of diffusion and low frequency vibrational motions of particles on metal surfaces is of paramount importance; it provides valuable information on the nature of the adsorbate-substrate and the substrate-substrate interactions. In…
An important ingredient of any moving-mesh method for fluid-structure interaction (FSI) problems is the mesh deformation technique (MDT) used to adapt the computational mesh in the moving fluid domain. An ideal technique is computationally…
Reactions on surfaces play an important role in many technological applications. Since these processes are often rather complex, one tries to understand single steps of these complicated reactions by investigating simpler system. In…
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches rely on crystalline lattice mismatch to suppress periodic…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
This paper reports on the frictional properties of smooth rubber substrates sliding against rigid surfaces covered with various densities of colloidal nano-particles (average diameter 77 nm). Friction experiments were carried out using a…
Compressive strength is a key to understanding the internal structure of dust aggregates in protoplanetary disks and their resultant bodies, such as comets and asteroids in the Solar System. Previous work has modeled the compressive…
Recently, a simple and elegant "dimple" model was introduced by McMeeking et al. (Adv Eng Mat 12(5), 389-397, 2010) to show a mechanism for a bistable adhesive system involving a surface with a shallow depression. The system shows, at least…
In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…
Using a blister test, we measured the work of separation between MoS$_2$ membranes from metal, semiconductor, and graphite substrates. We found a work of separation ranging from 0.11 +- 0.05 J/m^2 for chromium to 0.39 +- 0.1 J/m^2 for…