Related papers: Faster grain-boundary diffusion with a higher acti…
We report new results about the anomalous diffusion of a particle in an aging medium. For each given age, the quasi-stationary particle velocity is governed by a generalized Langevin equation with a frequency-dependent friction coefficient…
Grain boundary (GB) migration accompanied by Cr depletion is widely observed in Alloy 690 and is closely linked to intergranular degradation and stress corrosion cracking. However, the fundamental driving force for GB migration and its link…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
Evolutionary trends in the surface abundances of heavier elements have recently been identified in the globular cluster NGC 6397 ([Fe/H]=-2), indicating the operation of atomic diffusion in these stars. Such trends constitute important…
The reversible A <-> B reaction-diffusion process, when species A and B are initially mixed and diffuse with different diffusion coefficients, is investigated using the boundary layer function method. It is assumed that the ratio of the…
Diffusion in coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants $D$ from molecular dynamics simulations. We find that $D$ for coulomb crystals with relatively soft-core $1/r$…
In the boundary layer of multicomponent fluid mixtures, the species-specific mass flux in the wall-normal direction is determined by the combination of turbulent-diffusiophoretic diffusion due to composition gradients, and diffusion due to…
Demonstration of high-efficiency large area cells with excellent stability is an important requirement towards commercialization of perovskite solar cells (PSC). With reports of high-quality perovskite grains, it is evident that the…
Many processes in cell biology involve diffusion in a domain $\Omega$ that contains a target $\calU$ whose boundary $\partial \calU$ is a chemically reactive surface. Such a target could represent a single reactive molecule, an…
The Langmuir-McLean isotherm is often interpreted as providing an approximation to the most probable grain boundary segregation as a function of the bulk mole solute fraction $x_B$, even though $x_B$ is not an independant parameter in the…
This paper provides a theoretical framework of deriving the forward and backward Feynman-Kac equations for the distribution of functionals of the path of a particle undergoing both diffusion and chemical reaction. Very general forms of the…
We use ab initio static relaxation methods and semi-empirical molecular-dynamics simulations to investigate the energetics and dynamics of the diffusion of adatoms, dimers, and vacancies on Cu(100). It is found that the dynamical energy…
We present coarse-grained simulation results for enhanced ion diffusion in a charged nanopore grafted with ionomer sidechains. The pore surface is hydrophobic and its diameter is varied from 2.0 nm to 3.7 nm. The sidechains have from 2 to…
In many models of dusty objects in space the grains are assumed to be composite or fluffy. However, the computation of the optical properties of such particles is still a very difficult problem. We analyze how the increase of grain porosity…
In high energy heavy-ion collisions, the two colliding nuclei pass through each other leaving behind an almost baryon free central rapidity region. Most of the baryons are carried away by the nuclear remnants and are located in the…
The surface diffusion of Cu adatoms in the presence of an adisland at FCC or HCP sites on Cu(111) is studied using the EAM potential derived by Mishin {\it et al.} [Phys. Rev. B {\bf 63} 224106 (2001)]. The diffusion rates along straight…
Passivating defects and restricting defect mobilities in halide perovskites to increase device lifetimes has become a main field of research. Modeling structure and mobility of point defects is an essential contribution to this endeavor. We…
We investigate a granular gas in a shaken quasi-two-dimensional box in molecular dynamics computer simulations. After a sudden change (quench) of the shaking amplitude, transient density correlations are observed orders of magnitude beyond…
Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit.…
Context. Dust grains in circumstellar envelopes are likely to have a spread-out temperature distribution. Aims. To investigate how trends in temperature distribution between small and large grains affect the hot corino chemistry of complex…