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First-principles prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohibitively expensive, and the thermal conductivity even for…
This work explores different particle-based approaches to the simulation of one-dimensional fractional subdiffusion equations in unbounded domains. We rely on smooth particle approximations, and consider four methods for estimating the…
It is generally accepted that the asset price processes contain jumps. In fact, pure jump models have been widely used to model asset prices and/or stochastic volatilities. The question is: is there any statistical evidence from the…
Predicting protein functional characteristics from structure remains a central problem in protein science, with broad implications from understanding the mechanisms of disease to designing novel therapeutics. Unfortunately, current machine…
A diffusion model of the time evolution of loss rates caused by a step in collimator position is presented. It builds upon the model of Seidel (1994) and its assumptions: (1) constant diffusion rate within the range of the step and (2)…
Exciton diffusion length plays a vital role in the function of opto-electronic devices. Oftentimes, the domain occupied by an organic semiconductor is subject to surface measurement error. In many experiments, photoluminescence over the…
Modeling of the phosphorus radiation-enhanced diffusion in the course of implantation of high-energy protons into an elevated-temperature silicon substrate and during its treatment in a hydrogen-containing plasma with addition of a…
Cu2Se and Cu2S are excellent model systems of superionic conductors with large diffusion coefficients that have been reported to exhibit different solid-liquid-like Cu-ion diffusion. In this paper, we clarify the atomic dynamics of these…
The time evolution of diffuse X-ray scattering intensities conditioned by the short-range order (SRO) in Ni-Mo solid solutions is investigated. As shown, the transition from a quenched (nonequilibrium) state to the equilibrium one is…
We demonstrate a smart laser-diffraction analysis technique for particle mixture identification. We retrieve information about the size, geometry, and ratio concentration of two-component heterogeneous particle mixtures with an efficiency…
Collective diffusion coefficient in a two-dimensional lattice gas on a nonhomogeneous substrate is investigated using variational approach. Particles reside at adsorption sites with different well depths potentials and jump randomly between…
Atomic-scale simulations are performed to study the effect of solute segregation on the shear-induced motion of select grain boundaries in the classical $\alpha$-Fe/C system. At shear rates larger than the solute diffusion rate, we observe…
Insertion of a resistive contact between a ferromagnetic metal and a semiconductor microstructure is of critical importance for achieving efficient spin injection into a semiconductor. However, the equations of the diffusion theory are…
Multicomponent alloys undergoing irradiation damage develop radiation-induced composition redistribution at point defect sinks such as grain boundaries (GBs) and dislocations. Such redistribution results in undesired changes to their…
Based on molecular dynamics simulations of a lithium metasilicate glass we study the potential of bond valence sum calculations to identify sites and diffusion pathways of mobile Li ions in a glassy silicate network. We find that the bond…
We analyse the process of convective mixing in two-dimensional, homogeneous and isotropic porous media with dispersion. We considered a Rayleigh-Taylor instability in which the presence of a solute produces density differences driving the…
Diffusion models have gained traction as powerful algorithms for synthesizing high-quality images. Central to these algorithms is the diffusion process, a set of equations which maps data to noise in a way that can significantly affect…
We present a diffusion dominated evaporation model using the popular pseudopotential multicomponent lattice Boltzmann method introduced by Shan and Chen. With an analytical computation of the diffusion coefficients, we demonstrate that…
Machine learning models are gaining increasing popularity in the domain of fluid dynamics for their potential to accelerate the production of high-fidelity computational fluid dynamics data. However, many recently proposed machine learning…
We present results of molecular dynamics simulations of the electron system on the surface of liquid helium. The simulations are done for 1600 electrons with periodic boundary conditions. Electron scattering by capillary waves and phonons…