Related papers: Analytical approximation for reaction-diffusion pr…
We investigate the wetting transitions displayed by the collection of active Brownian particles (ABPs) confined within rigid, impenetrable, flat walls. In our computational study using Brownian dynamics simulations, the wall-particle…
The rate-limiting step of some enzymatic reactions is a physical step, i.e. diffusion. The efficiency of such reactions can be improved through an increase in the arrival rate of the substrate molecules, e.g. by a directed passage of…
We are interested in generating surfaces with arbitrary roughness and forming patterns on the surfaces. Two methods are applied to construct rough surfaces. In the first method, some superposition of wave functions with random frequencies…
In this work we present a model reduction procedure to derive a hybrid-dimensional framework for the mathematical modeling of reactive transport in fractured porous media. Fractures are essential pathways in the underground which allow fast…
It has been established that there is an inherent limit to the accuracy of the reaction-diffusion master equation. Specifically, there exists a fundamental lower bound on the mesh size, below which the accuracy deteriorates as the mesh is…
Brownian motion in confinement and at interfaces is a canonical situation, encountered from fundamental biophysics to nanoscale engineering. Using the Lorenz-Mie framework, we optically record the thermally-induced tridimensional…
A new reactive force field to describe proton diffusion within the solid-oxide fuel cell material BaZrO3 has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe…
Diffusion in a `rough' potential parameterized by a reaction coordinate $q$ is relevant to a wide spectrum of problems ranging from protein folding and charge transport in complex media to colloidal stabilization and self-assembly. This…
Diffusion is an ubiquitous phenomenon. It is a widespread belief that as long as the area under a current autocorrelation function converges in time, the corresponding spatiotemporal density dynamics should be diffusive. This may be viewed…
The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experimental data is systematically better than 10% for both coinage…
An exact analytical method for determining the Lagrangian velocity correlation and the diffusion coefficient for particles moving in a stochastic velocity field is derived. It applies to divergence-free 2-dimensional Gaussian stochastic…
The surrounding world surprises us by the beauty and variety of complex shapes that emerge from nanometric to macroscopic scales. Natural or manufactured materials (sandstones, sedimentary rocks and cement), colloidal solutions (proteins…
We explore a novel method of describing the radiation friction of particles traveling through a mechanically resistive medium. We introduce a particle motion induced matter warping along the path in a manner assuring that charged particle…
This article introduces a new efficient particle method for the numerical simulation of crystallization and precipitation at the pore scale of real rock geometries extracted by X-Ray tomography. It is based on the coupling between…
The measurement of real contact area between rough surfaces is one of most challenge problems in contact mechanics and is of importance to understand some physical mechanisms in tribology. Based on the frustrated total internal reflection,…
The article describes the diffusion approximation and the method of its use for evaluation of the effectiveness of active queue management (AQM) mechanisms. The presented model combines the approximation and simulation approaches. The…
The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of…
Atmosphere-breathing electric propulsion systems harness atmospheric particles as propellant, enabling efficient operation across diverse environmental conditions. To accurately simulate the captured gas flow through the modules,…
This Communication reports a geometrical factor that is necessary in the diffusion boundary condition across surface steps. Specifically, this factor relates adatom concentration to its spatial gradient at a surface step, and it describes…
We study the reaction front for the process A+B -> C in which the reagents move subdiffusively. Our theoretical description is based on a fractional reaction-subdiffusion equation in which both the motion and the reaction terms are affected…