Related papers: Experimental and computational diffusion analysis …
Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work introduces a multiscale modeling framework that links atomistic…
Diffusional jumps can produce fluctuating electric field gradients at nuclei of jumping atoms. Using perturbed angular correlation of gamma rays (PAC), jumps of probe atoms cause nuclear quadrupole relaxation that can be fitted to obtain…
Despite the fact that different particle species can diffuse with respect to each other in neutron star (NS) cores, the effect of particle diffusion on various phenomena associated with NS oscillations is usually ignored. Here we…
Titanium nitride halides, TiNX (X = F, Cl, Br, I) in the {\alpha}-phase (orthorhombic) are exciting quasi two-dimensional (2D) electronic systems exhibiting a fascinating series of electronic ground states under different conditions.…
Nanofluidics is pivotal in fundamental research and diverse applications, from water desalination to energy harvesting and biological analysis. Dynamically manipulating nanofluidic properties, such as diffusion and friction, presents an…
To characterise (inter)diffusion in materials, concentration profiles can be measured by EDX. It allows one to determine the chemical composition with a very good accuracy if measurement artefacts are accounted for. Standard phenomena (such…
We present a rapid binary evolution algorithm that enables modelling of even the most complex binary systems. In addition to all aspects of single star evolution, features such as mass transfer, mass accretion, common-envelope evolution,…
In this work we study the effect of density dependent nonlinear diffusion on pattern formation in the Lengyel--Epstein system. Via the linear stability analysis we determine both the Turing and the Hopf instability boundaries and we show…
Vacancy-mediated diffusion in multi-principal element alloys (MPEAs) remains poorly understood. Existing computational methods face challenges in connecting electronic structure to macroscopic transport coefficients due to the large number…
Interstitial diffusion is a pivotal process that governs the phase stability and irradiation response of materials in non-equilibrium conditions. In this work, we study sluggish and chemically-biased interstitial diffusion in Fe-Ni…
Composite materials comprising a porous Ti2AlC matrix and Al 6061 alloy were fabricated by a current-activated pressure assisted melt infiltration process. Coarse, medium and fine meso-structures were prepared with Al alloy filled pores of…
Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture.…
Nanoscale diffusion at the interfaces in multilayers plays a vital role in controlling their physical properties for a variety of applications. In the present work depth-dependent interdiffusion in a Si/Fe/Si trilayer has been studied with…
A non-equilibrium thermodynamics model able to analyze the combined effect of diffusion and adsorption in porous materials is proposed. The model considers the coupled dynamics of the diffusive phase, described by a diffusion type equation,…
When the dimensions of structures shrink to the order of the inelastic mean free path of the energy-carrying quasi-particles, the character of energy transport changes from diffusive to ballistic. However, the point of transition remains a…
The quaternary alloy AlCrTiV has been proposed as both a lightweight high entropy alloy and also a functional spin filter material based on the Heusler structure. Experimental investigations to-date, based on X-ray diffraction, offer…
Ternary C_{x}N_{y}O_{z} compounds are actively researched as novel high energy density and ultrahard materials. Although some synthesis work has been performed at ambient conditions, very little is known about the high pressure chemistry of…
Case studies of $1T$-TiSe$_2$ and YBa$_2$Cu$_3$O$_{7-\delta}$ have demonstrated that x-ray diffraction (XRD) studies can be used to trace even subtle structural phase transitions which are inherently connected with the onset of…
Multicomponent nitrides are a hot research topic in the search of hard coatings. The effect of substitutions on the phase stabilities, magnetic, and elastic properties of $Al_{1-x-y}Cr_{x}Ti_{y}N$ $(0\leq x,y\leq1)$ was studied using first…
Predicting diffusion coefficients in mixtures is crucial for many applications, as experimental data remain scarce, and machine learning (ML) offers promising alternatives to established semi-empirical models. Among ML models, matrix…