Related papers: Diffusion behavior in diluted ($Fe,Cr$) alloys: An…
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…
Good metals are characterised by diffusive transport of coherent quasi-particle states and the resistivity is much less than the Mott-Ioffe-Regel (MIR) limit, $\frac{ha}{e^{2}}$, where $a$ is the lattice constant. In bad metals, such as…
Electrical resistivity evolution during precipitation in Al-Sc alloys is modeled using cluster dynamics. This mesoscopic modeling has already been shown to correctly predict the time evolution of the precipitate size distribution. In this…
An analysis of the processes of plastic deformation and acoustic relaxation in a high-entropy alloy Al$_{0.5}$CoCrCuFeNi was carried out. The following have been established: dominant dislocation defects; types of barriers that prevent the…
We develop a mathematical model for adsorption based on averaging the flow around, and diffusion inside, adsorbent particles in a column. The model involves three coupled partial differential equations for the contaminant concentration both…
We derive a kinetic theory capable of dealing both with large spin-orbit coupling and Kondo screening in dilute magnetic alloys. We obtain the collision integral non-perturbatively and uncover a contribution proportional to the momentum…
We develop a statistical analytical model that predicts the occurrence frequency distributions and parameter correlations of avalanches in nonlinear dissipative systems in the state of a slowly-driven self-organized criticality (SOC)…
The interdiffusion of a solvent into a polymer melt has been studied using large scale molecular dynamics and Monte Carlo simulation techniques. The solvent concentration profile and weight gain by the polymer have been measured as a…
Understanding the physics of non-equilibrium systems remains as one of the major open questions in statistical physics. This problem can be partially handled by investigating macroscopic fluctuations of key magnitudes that characterise the…
The mass transfer of interstitial impurities in a crystalline lattice under the influence of the fast-moving deformation disturbance of the type of a shock wave is considered. The velocity of the movement of the disturbance is supposed to…
The interaction between vacancies and edge dislocations in face centered cubic metals (Al, Au, Cu, Ni) is studied at different length scales. Using empirical potentials and static relaxation, atomic simulations give us a precise description…
We study segregation of an impurity in a driven granular fluid under two types of \emph{steady} states. In the first state, the granular gas is driven by a stochastic volume force field with a Fourier-type profile while in the second state,…
Frictional instabilities in fluid saturated granular materials underlie natural hazards, including submarine landslides and earthquake initiation. Experiments show distinct failure behaviors under subaerial and subaqueous conditions due to…
We present results of kinetic lattice Monte Carlo (KLMC) simulations of substitutional arsenic diffusion in silicon mediated by lattice vacancies. Large systems are considered, with 1000 dopant atoms and long range \textit{ab initio}…
Hole formation in a polycrystalline Ni film on an $\alpha$-Al$_2$O$_3$ substrate coupled with a continuum diffusion analysis demonstrates that Ni diffusion along the Ni/$\alpha$-Al$_2$O$_3$ interface is surprisingly fast. Ab initio…
The diffusion path and diffusivity of oxygen in crystalline silicon are computed using an empirical interatomic potential which was recently developed for modelling the interactions between oxygen and silicon atoms. The diffusion path is…
We consider the time dependent dispersion properties of overdamped tracer particles diffusing in a one dimensional periodic potential under the influence of an additional constant tilting force $F$. The system is studied in the region where…
In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute…
In this work, we present an open access database for surface and vacancy-formation energies using classical force-fields (FFs). These quantities are essential in understanding diffusion behavior, nanoparticle formation and catalytic…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…