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Collisions between amorphous Fe nanoparticles were studied using molecular-dynamics simulation. For head-on collisions of nanoparticles with radii $R =$ 1.4 nm, $R =$ 5.2 nm, and $R =$ 11 nm, sticking was observed at all simulated…
Binary droplet collisions are of importance in a variety of practical applications comprising dispersed two-phase flows. The background of our research is the prediction of properties of particulate products formed in spray processes. To…
A numerical model is proposed to simulate the adhesion, compression, and subsequent detachment of a micro-liter droplet from a superhydrophobic surface composed of chemically homogeneous pillars arranged in a periodic fashion, replicating a…
Current engineering wear models are often based on empirical parameters rather than built upon physical considerations. Here, we look for a physical description of adhesive wear at the microscale, at which the interaction between two…
Three dimensional molecular dynamics simulations of cohesive dissipative powders under a plane shear are performed. We find the various phases depending on the dimensionless shear rate and the dissipation rate as well as the density. We…
In part 1, we proposed a model of dynamics of wetting for slow movements near a contact line formed at the interface of two immiscible fluids and a solid when viscous dissipation remains bounded. The contact line is not a material line and…
We investigate collective dissipative properties of vibrated granular materials by means of molecular dynamics simulations. Rates of energy losses indicate three different regimes or "phases"in the amplitude-frequency plane of the external…
When adhesive elastomeric materials slide over hard rough surfaces at low velocities, there are two primary dissipative mechanisms that control how friction changes with sliding velocity: viscoelastic dissipation and adhesive dissipation.…
A numerical study of multi-phase granular materials based upon micro-mechanical modelling is proposed. Discrete element simulations are used to investigate capillary induced effects on the friction properties of a granular assembly in the…
The adsorption and dissociation of isolated water molecule on Zr(0001) surface are theoretically investigated for the first time by using density-functional theory calculations. Two kinds of adsorption configurations with almost the same…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
We measure the elastic and dissipative responses of a multicontact interface, formed between the rough surfaces of two contacting macroscopic solids, submitted to a biased oscillating shear force. We evidence that beyond a linear…
The cohesive interactions between fine metal powder particles crucially influence their flow behavior, which is in turn important to many powder-based manufacturing processes including emerging methods for powder-based metal additive…
Engineering wear models are generally empirical and lack connections to the physical processes of debris generation at the nanoscale to microscale. Here, we thus analyze wear particle formation for sliding interfaces in dry contact with…
Using molecular dynamics (MD) we study the dependency of the contact mechanics on the sliding speed when an elastic block (cylinder) with a ${\rm cos} (q_0 x)$ surface height profile is sliding in adhesive contact on a rigid flat…
For the contact of two finite portions of interacting rigid crystalline surfaces, we compute the dependence of the pinning energy barrier on the misfit angle and contact area. The resulting data are used to investigate the distribution of…
Dissociative chemisorption is a key process in hydrogen-metal surface chemistry, where nonadiabatic effects due to low-lying electron-hole-pair excitations may affect reaction outcomes. Molecular dynamics with electronic friction…
The study of dispersion of solid wastes through a porous media is important in order to estimate the ecological impact that, in particular, a radioactive solid waste could produce when it spreads in the soil. There are some models available…
A granular system composed of frictional glass beads is simulated using the Discrete Element Method. The inter-grain forces are based on the Hertz contact law in the normal direction with frictional tangential force. The damping due to…
We demonstrate that discontinuous shear thickening (DST) can occur even in moderately dense, inertial suspensions of hydrodynamically interacting, frictionless soft particles. Using the Lubrication-Friction Discrete Element Method, our…