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Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…
Nickel-based superalloys play a major role in many technologically relevant high temperature applications. Understanding and predicting the evolution of the phase microstructure during high temperature creep together with the evolution of…
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…
We examine transport properties of superconducting hybrid mesoscopic structures, in both the diffusive and ballistic regimes. For diffusive structures, analytic results from quasi-classical theory are compared with predictions from…
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…
Gradient-driven diffusion in crowded, multicomponent mixtures is a topic of high interest because of its role in biological processes such as transport in cell membranes. In partially phase-separated solutions, gradient-driven diffusion…
Local electronic properties of quasi-two-dimensional Pb(111) islands with screw dislocations of different types on their surfaces were experimentally studied by means of low-temperature scanning tunneling microscopy and spectroscopy in the…
Diffusion-limited cluster aggregation (DLCA) is a well established model for the formation of highly porous low-density non-equilibrium structures. One of the main conclusions of the previous studies considering this model is that the…
A novel semidiscrete Peierls-Nabarro model is introduced which can be used to study dislocation spreading at more than one slip planes, such as dislocation cross-slip and junctions. The strength of the model, when combined with ab initio…
We propose a novel island nucleation and growth model explicitly including transient (ballistic) mobility of the monomers deposited at rate $F$, assumed to be in a hot precursor state before thermalizing. In limiting regimes, corresponding…
Ship design is a complex design process that may take a team of naval architects many years to complete. Improving the ship design process can lead to significant cost savings, while still delivering high-quality designs to customers. A new…
Many theoretical and experimental results show that solute transport in heterogeneous porous media exhibits multi-scaling behaviors. To describe such non-Fickian diffusions, this work provides a distributed order Hausdorff diffusion model…
The diffusivity of tagged particles is demonstrated to be very heterogeneous on time scales comparable to or shorter than the $\alpha$ relaxation time $\tau_{\alpha}$ ($\cong$ the stress relaxation time) in a highly supercooled liquid via…
We present a systematic analysis of diffusion-controlled evolution and collapse of two identical spatially separated $d$-dimensional $A$-particle islands in the $B$-particle sea at propagation of the sharp reaction front $A+B\to 0$ at equal…
Segregation patterns of size-bidisperse particle mixtures in a fully-three-dimensional flow produced by alternately rotating a spherical tumbler about two perpendicular axes are studied over a range of particle sizes and volume ratios using…
The mobility of atoms, molecules and radicals in icy grain mantles regulate ice restructuring, desorption, and chemistry in astrophysical environments. Interstellar ices are dominated by H2O, and diffusion on external and internal (pore)…
A new approach to the modeling of nonfree particle diffusion is presented. The approach uses a general setup based on geometric graphs (networks of curves), which means that particle diffusion in anything from arrays of barriers and pore…
Diffusion of colloidal particles in a complex environment such as polymer networks or biological cells is a topic of high complexity with significant biological and medical relevance. In such situations, the interaction between the…
This paper provides new insights concerning the simulation of plasmon driven chemical reactions using real-time TDDFT based on the tight-binding electronic structure code DFTB+, with applications to the dissociation of H$_2$ on octahedral…
We study transport in a one-dimensional boundary-driven Anderson insulator (the XX spin chain with onsite disorder) with randomly positioned onsite dephasing, observing a transition from diffusive to subdiffusive spin transport below a…