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In this presentation we overview some recent results on biased tracer diffusion in lattice gases. We consider both models in which the gas particles density is explicitly conserved and situations in which the lattice gas particles undergo…
Diffusion properties of a self-avoiding polymer embedded in regularly distributed obstacles with spacing a=20 and confined in two dimensions is studied numerically using the extended bond fluctuation method which we have developed recently.…
Discrete element method simulations of confined bidisperse granular shear flows elucidate the balance between diffusion and segregation that can lead to either mixed or segregated states, depending on confining pressure. Results indicate…
A Fe89.15Cr10.75 alloy in a heavily strained (by cold rolling) and strain-relaxed states was studied by means of the conversion electrons M\"ossbauer spectroscopy (CEMS). Analysis of the spectra in terms of a two-shell model revealed…
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…
Diffusion of native defects such as vacancies and their interactions with impurities are fundamental in semiconductor crystal growth, device processing, and long-term aging of equilibration and transient diffusion of vacancies are rarely…
By means of analytical calculations and numerical simulations we study the diffusion properties in quasi-two-dimensional structures with two exciton subsystems with an exchange between them. The experimental realisation is possible in…
The addition of alloying elements plays an essential role in helium (He) behaviours produced by transmutation in metal alloys. Effects of solutes (Ni, Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube (fcc) iron…
Understanding how light interstitials migrate in chemically complex alloys is essential for predicting defect dynamics and long-term stability. Here, we introduce a spectral sampling framework to quantify boron diffusion activation energies…
We consider a tracer particle on a lattice in the presence of immobile obstacles. Starting from equilibrium, a force pulling on the particle is switched on, driving the system to a new stationary state. We solve for the complete transient…
The development of long range order in nickel-chromium alloys is of great technological interest but the kinetics and mechanisms of the transformation are poorly understood. The present research utilizes a combined computational and…
We present a novel cluster-expansion (CE) approach for the first-principles modeling of temperature and concentration dependent alloy properties. While the standard CE method includes temperature effects only via the configurational entropy…
It is shown that semiconductor nanoscale resonators with extreme dielectric confinement accelerate the diffusion of electron-hole pairs excited by nonlinear absorption. These novel cavity designs may lead to optical switches with superior…
Context. The synergy between close binary stars and asteroseismology enables constraints on mass-transfer episodes and their consequences for internal structure, rotation profiles, and oscillation modes. Aims. We investigate how mass…
Perturbed angular correlation (PAC) measurements using the In-111 probe were carried out on FeGa3 as part of a broader investigation of indium site occupation and cadmium diffusion in intermetallic compounds. One PAC signal was observed…
The charge, bonding, and optical properties of the calcium-doped boron cluster B$_7$Ca$_2$ have been systematically investigated using density functional theory calculations. Extensive global basin-hopping searches identify a single-ring…
Jeffery's equation with diffusion is widely used to predict the motion of concentrated fiber suspensions in flows with low Reynold's numbers. Unfortunately, the evaluation of the fiber orientation distribution can require excessive…
We study the diffusive behavior of biased Brownian particles in a two dimensional confined geometry filled with the freezing obstacles. The transport properties of these particles are investigated for various values of the obstacles density…
We discuss the dependence of self- and interdiffusion coefficients on temperature and composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular-dynamics (MD) computer simulations and the mode-coupling theory of…
In this paper we present a computer simulation of a random walk (RW) for diffusion on a rearranging lattice. The lattice consists of two types of sites -- one good conducting (type 1) and the other poor conducting (type 2), distributed at…