Related papers: Positron trapping and annihilation at interfaces b…
The exact solution of a diffusion$-$reaction model for the trapping and annihilation of positrons in small extended spherical defects (clusters, voids, small precipitates) with competitive rate-limited trapping in vacancy-type point defects…
This model considers reversible elementary acts of migration of point defects (interstitials and/or vacancies) across the precipitate-matrix interface and enables one to derive equations for the rates of emission and absorption of solute…
We report an exact analytical solution of so-called positron diffusion trapping model. This model have been widely used for the treatment of the experimental data for defect profiling of the adjoin surface layer using the variable energy…
We apply the Poynting theorem to the scattering of monochromatic electromagnetic planes waves with normal incidence to the interface of two different media. We write this energy conservation theorem to introduce a natural definition of the…
A multi-phase-field model for the description of the discontinuous precipitation reaction is formulated which takes into account surface diffusion along grain boundaries and interfaces as well as volume diffusion. Simulations reveal that…
We present a method for solving the positron diffusion equation in multi-layer systems. Our approach incorporates material-specific implantation profiles, diffusion parameters, and positron affinities. It utilizes a Markov chain approach to…
We revise the encounter-based approach to imperfect diffusion-controlled reactions, which employs the statistics of encounters between a diffusing particle and the reactive region to implement surface reactions. We extend this approach to…
We report a computational first-principles study of positron trapping at vacancy defects in metals and semiconductors. The main emphasis is on the energetics of the trapping process including the interplay between the positron state and the…
We consider a reaction-diffusion process with retardation. The particles, immersed in traps initially, remain inactive until another particle is annihilated spontaneously with a rate $\lambda$ at a certain point $\vec x$. In that case the…
We present a generalised framework for resolving the electrochemistry-diffusion interface and modelling hydrogen transport near a crack tip. The adsorption and absorption kinetics are captured by means of Neumann-type generalised boundary…
We present a full classification of the short-time behaviour of the interfaces and local solutions to the nonlinear parabolic $p$-Laplacian type reaction-diffusion equation of non-Newtonian elastic filtration \[…
Biomolecular condensates organize biochemical processes by spatially concentrating molecules while allowing for dynamic exchange with their surroundings. However, transport across their interface can be strongly attenuated, leading to…
We consider the survival probability of a particle in the presence of a finite number of diffusing traps in one dimension. Since the general solution for this quantity is not known when the number of traps is greater than two, we devise a…
The structure of the transient layer at the interface between air and the aqueous solution of silica nanoparticles with the size distribution of particles that has been determined from small-angle scattering has been studied by the X-ray…
Numerous experimental data on the rapid solidification of binary systems exhibit the formation of metastable solid phases with the initial (nominal) chemical composition. This fact is explained by complete solute trapping leading to…
The thin interface limit aims at minimizing the effects arising from a numerical interface thickness, inherent in diffuse interface models of solidification and microstructure evolution such as the phase field model. While the original…
The Configuration Interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of…
In this paper we propose and validate a multiscale model for the description of particle diffusion in presence of trapping boundaries. We start from a drift-diffusion equation in which the drift term describes the effect of bubble traps,…
A phase-field approach to the dynamics of liquid-solid interfaces that evolve due to precipitation and/or dissolution is presented. For the purpose of illustration and comparison with other methods, phase field simulations were carried out…
We provide a general microscopic theory of the scattering cross-section and of the refractive index for a system of interacting colloidal particles, exact at second order in the molecular polarizabilities. In particular: a) we show that the…