Related papers: Molecular rolling friction: the cogwheel model
We investigate theoretically the nonlinear state of ideal straight rolls in the Rayleigh-B\'enard system of a fluid layer heated from below with a porous medium using a Galerkin method. Applying the Oberbeck-Boussinesq approximation, binary…
A lubrication model describes the dynamics of a thin layer of fluid spreading over a solid substrate. But to make forecasts we need to supply correct initial conditions to the model. Remarkably, the initial fluid thickness is not the…
Simulating granular materials composed of non-spherical particles remains a major challenge in discrete element method (DEM) simulations due to the complexity of contact detection and rotational dynamics, rendering large-scale simulations…
The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…
In this paper, we propose to use magnetic nanoparticles as information carriers for molecular communication. This enables the use of an external magnetic field to guide information-carrying particles towards the receiver. We show that the…
The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…
The nonlinear response of an adsorbed layer on a periodic substrate to an external force is studied via a two dimensional uniaxial Frenkel-Kontorova model. The nonequlibrium properties of the model are simulated by Brownian molecular…
We provide a theory of the deflection of polar and non-polar rotating molecules by inhomogeneous static electric field. Rainbow-like features in the angular distribution of the scattered molecules are analyzed in detail. Furthermore, we…
In this thesis, we develop multiscale models for particle simulations in population dynamics. These models are characterised by prescribing particle motion on two spatial scales: microscopic and macroscopic. At the microscopic level, each…
By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effective and the thermodynamic transition temperatures are…
Spin dynamics of nanomolecules and nanoclusters are analyzed. The nanosizes of these objects make it possible to consider them as single-domain magnets with a large total spin, where the motion of the spins of all atoms, composing a…
We investigate dynamical stability of a single propeller-like shaped molecular cogwheel modelled as the fixed-axis rigid rotator. In the realistic situations, rotation of the finite-size cogwheel is subject of the envi- ronmentally-induced…
Magnetic gels with embedded micro/nano-sized magnetic particles in crosslinked polymer networks can be actuated by external magnetic fields, with changes in their internal microscopic structures and macroscopic mechanical properties. We…
We present a study of sliding friction for rigid triangular steel sliders on soft rubber substrates under both lubricated and dry conditions. For rubber surfaces lubricated with a thin film of silicone oil, the measured sliding friction at…
Granular materials are known to separate by size under a variety of circumstances. Experiments presented here and elucidated by modeling and MD simulation document a new segregation mechanism, namely segregation by friction. The experiments…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
Biological functions in each animal cell depend on coordinated operations of a wide variety of molecular motors. Some of the these motors transport cargo to their respective destinations whereas some others are mobile workshops which…
Kinetics of dislocations is studied by means of computer simulation during intensive plastic deformation. The dynamical effect in the form of soliton-like wave of sharply disrupted interparticle bonds is observed. Along with it, micropores…
Magnetic nanoparticles are useful biological probes as well as therapeutic agents. There have been several approaches used to model nanoparticle magnetization dynamics for both Brownian as well as N\'eel rotation. The magnetizations are…
The motion of submerged magnetic microspheres rolling at a glass-water interface has been studied using magnetic rotation and optical tweezers combined with bright-field microscopy particle tracking techniques. Individual microspheres of…